NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7030 | 1jw2 | 5166 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 9.994 9.723 12.984 2 2H MET 1 2HT MET 1 9.147 8.558 13.917 3 3H MET 1 3HT MET 1 9.904 8.097 12.447 4 HA MET 1 HA MET 1 11.353 9.171 14.765 5 1HB MET 1 2HB MET 1 10.559 6.368 14.013 6 2HB MET 1 1HB MET 1 12.000 6.674 14.974 7 1HG MET 1 2HG MET 1 10.823 7.246 16.815 8 2HG MET 1 1HG MET 1 9.504 7.958 15.886 9 1HE MET 1 1HE MET 1 10.444 4.797 18.061 10 2HE MET 1 2HE MET 1 8.707 4.679 18.340 11 3HE MET 1 3HE MET 1 9.519 6.238 18.485 12 H SER 2 H SER 2 11.517 6.990 11.944 13 HA SER 2 HA SER 2 14.336 7.601 11.605 14 1HB SER 2 2HB SER 2 13.528 5.280 11.323 15 2HB SER 2 1HB SER 2 12.533 5.804 9.964 16 HG SER 2 HG SER 2 14.233 5.548 8.777 17 H GLU 3 H GLU 3 11.263 8.347 10.114 18 HA GLU 3 HA GLU 3 12.628 10.293 8.397 19 1HB GLU 3 2HB GLU 3 12.043 8.132 7.157 20 2HB GLU 3 1HB GLU 3 10.361 8.597 7.364 21 1HG GLU 3 2HG GLU 3 10.487 9.837 5.546 22 2HG GLU 3 1HG GLU 3 11.714 10.839 6.321 23 H LYS 4 H LYS 4 11.390 12.131 7.865 24 HA LYS 4 HA LYS 4 9.752 13.198 9.778 25 1HB LYS 4 2HB LYS 4 10.008 13.752 6.840 26 2HB LYS 4 1HB LYS 4 8.824 14.624 7.803 27 1HG LYS 4 2HG LYS 4 10.595 15.440 9.262 28 2HG LYS 4 1HG LYS 4 11.789 14.543 8.324 29 1HD LYS 4 2HD LYS 4 10.514 15.976 6.382 30 2HD LYS 4 1HD LYS 4 10.462 17.093 7.747 31 1HE LYS 4 2HE LYS 4 13.038 15.733 7.255 32 2HE LYS 4 1HE LYS 4 12.537 16.920 6.052 33 1HZ LYS 4 1HZ LYS 4 13.539 18.331 7.467 34 2HZ LYS 4 2HZ LYS 4 13.371 17.310 8.804 35 3HZ LYS 4 3HZ LYS 4 12.068 18.262 8.300 36 HA PRO 5 HA PRO 5 5.783 11.807 7.317 37 1HB PRO 5 2HB PRO 5 6.174 9.788 5.516 38 2HB PRO 5 1HB PRO 5 6.172 11.500 5.083 39 1HG PRO 5 2HG PRO 5 8.494 9.683 5.609 40 2HG PRO 5 1HG PRO 5 8.282 10.884 4.320 41 1HD PRO 5 2HD PRO 5 9.765 11.411 6.488 42 2HD PRO 5 1HD PRO 5 8.769 12.663 5.725 43 H LEU 6 H LEU 6 8.177 10.038 8.835 44 HA LEU 6 HA LEU 6 8.074 8.408 10.406 45 1HB LEU 6 2HB LEU 6 5.172 8.007 9.724 46 2HB LEU 6 1HB LEU 6 6.010 7.497 11.173 47 HG LEU 6 HG LEU 6 6.410 10.209 11.216 48 1HD1 LEU 6 1HD1 LEU 6 4.992 11.033 9.678 49 2HD1 LEU 6 2HD1 LEU 6 3.806 10.798 10.962 50 3HD1 LEU 6 3HD1 LEU 6 3.976 9.592 9.686 51 1HD2 LEU 6 1HD2 LEU 6 4.075 8.763 12.457 52 2HD2 LEU 6 2HD2 LEU 6 4.875 10.216 13.054 53 3HD2 LEU 6 3HD2 LEU 6 5.730 8.673 13.061 54 H THR 7 H THR 7 6.857 5.943 10.426 55 HA THR 7 HA THR 7 7.981 4.758 7.989 56 HB THR 7 HB THR 7 7.386 2.705 9.805 57 HG1 THR 7 1HG THR 7 7.332 3.727 11.639 58 1HG2 THR 7 1HG2 THR 7 9.382 2.807 8.400 59 2HG2 THR 7 2HG2 THR 7 9.777 2.496 10.091 60 3HG2 THR 7 3HG2 THR 7 10.019 4.105 9.410 61 H LYS 8 H LYS 8 6.892 2.784 7.155 62 HA LYS 8 HA LYS 8 4.291 3.299 6.354 63 1HB LYS 8 2HB LYS 8 5.452 0.525 6.571 64 2HB LYS 8 1HB LYS 8 4.263 1.110 5.415 65 1HG LYS 8 2HG LYS 8 6.236 2.752 4.773 66 2HG LYS 8 1HG LYS 8 7.208 1.443 5.447 67 1HD LYS 8 2HD LYS 8 6.255 -0.134 3.904 68 2HD LYS 8 1HD LYS 8 5.105 1.070 3.318 69 1HE LYS 8 2HE LYS 8 7.688 2.184 3.051 70 2HE LYS 8 1HE LYS 8 7.768 0.537 2.427 71 1HZ LYS 8 1HZ LYS 8 5.773 1.083 1.072 72 2HZ LYS 8 2HZ LYS 8 7.153 1.966 0.652 73 3HZ LYS 8 3HZ LYS 8 5.927 2.696 1.561 74 H THR 9 H THR 9 5.453 1.767 9.244 75 HA THR 9 HA THR 9 2.942 0.560 9.945 76 HB THR 9 HB THR 9 5.080 -0.375 10.726 77 HG1 THR 9 1HG THR 9 3.468 0.596 12.846 78 1HG2 THR 9 1HG2 THR 9 6.077 1.986 11.136 79 2HG2 THR 9 2HG2 THR 9 6.537 0.639 12.177 80 3HG2 THR 9 3HG2 THR 9 5.341 1.812 12.729 81 H ASP 10 H ASP 10 4.623 3.557 10.668 82 HA ASP 10 HA ASP 10 3.055 4.431 12.813 83 1HB ASP 10 2HB ASP 10 4.496 6.044 10.692 84 2HB ASP 10 1HB ASP 10 3.837 6.712 12.180 85 H TYR 11 H TYR 11 2.700 5.093 9.330 86 HA TYR 11 HA TYR 11 0.233 6.505 9.685 87 1HB TYR 11 2HB TYR 11 1.992 5.787 7.454 88 2HB TYR 11 1HB TYR 11 0.284 5.757 7.032 89 HD1 TYR 11 1HD TYR 11 2.099 8.011 9.378 90 HD2 TYR 11 2HD TYR 11 -0.045 7.653 5.721 91 HE1 TYR 11 1HE TYR 11 2.122 10.457 9.132 92 HE2 TYR 11 2HE TYR 11 -0.027 10.098 5.464 93 HH TYR 11 HH TYR 11 0.213 12.088 6.801 94 H LEU 12 H LEU 12 1.147 3.260 8.611 95 HA LEU 12 HA LEU 12 -1.366 2.299 7.902 96 1HB LEU 12 2HB LEU 12 0.624 1.048 7.398 97 2HB LEU 12 1HB LEU 12 1.008 0.877 9.100 98 HG LEU 12 HG LEU 12 -0.994 -0.545 9.393 99 1HD1 LEU 12 1HD1 LEU 12 -2.243 0.459 7.466 100 2HD1 LEU 12 2HD1 LEU 12 -2.278 -1.303 7.544 101 3HD1 LEU 12 3HD1 LEU 12 -1.217 -0.492 6.393 102 1HD2 LEU 12 1HD2 LEU 12 1.059 -1.345 7.347 103 2HD2 LEU 12 2HD2 LEU 12 -0.128 -2.473 8.002 104 3HD2 LEU 12 3HD2 LEU 12 1.040 -1.701 9.074 105 H MET 13 H MET 13 0.225 2.347 11.068 106 HA MET 13 HA MET 13 -1.712 0.917 12.495 107 1HB MET 13 2HB MET 13 0.250 3.047 13.338 108 2HB MET 13 1HB MET 13 -0.810 2.241 14.486 109 1HG MET 13 2HG MET 13 0.680 0.419 12.752 110 2HG MET 13 1HG MET 13 1.690 1.417 13.796 111 1HE MET 13 1HE MET 13 -1.369 -0.998 13.669 112 2HE MET 13 2HE MET 13 -1.984 0.268 14.733 113 3HE MET 13 3HE MET 13 -1.656 -1.341 15.375 114 H ARG 14 H ARG 14 -1.425 4.375 11.796 115 HA ARG 14 HA ARG 14 -3.757 5.090 13.295 116 1HB ARG 14 2HB ARG 14 -1.657 6.449 11.897 117 2HB ARG 14 1HB ARG 14 -3.204 7.078 11.347 118 1HG ARG 14 2HG ARG 14 -3.353 8.314 13.172 119 2HG ARG 14 1HG ARG 14 -3.323 6.858 14.169 120 1HD ARG 14 2HD ARG 14 -1.034 6.987 14.513 121 2HD ARG 14 1HD ARG 14 -0.775 7.992 13.088 122 HE ARG 14 HE ARG 14 -2.349 9.439 14.875 123 1HH1 ARG 14 1HH1 ARG 14 0.883 8.138 14.692 124 2HH1 ARG 14 2HH1 ARG 14 1.567 9.358 15.713 125 1HH2 ARG 14 1HH2 ARG 14 -1.452 11.046 16.218 126 2HH2 ARG 14 2HH2 ARG 14 0.242 11.010 16.578 127 H LEU 15 H LEU 15 -3.156 3.966 10.078 128 HA LEU 15 HA LEU 15 -5.480 4.976 8.825 129 1HB LEU 15 2HB LEU 15 -3.283 3.278 8.145 130 2HB LEU 15 1HB LEU 15 -4.769 2.494 7.645 131 HG LEU 15 HG LEU 15 -3.967 5.297 6.862 132 1HD1 LEU 15 1HD1 LEU 15 -2.493 4.136 5.593 133 2HD1 LEU 15 2HD1 LEU 15 -3.914 3.946 4.566 134 3HD1 LEU 15 3HD1 LEU 15 -3.437 2.646 5.660 135 1HD2 LEU 15 1HD2 LEU 15 -6.471 4.297 6.956 136 2HD2 LEU 15 2HD2 LEU 15 -5.982 3.783 5.341 137 3HD2 LEU 15 3HD2 LEU 15 -5.931 5.491 5.775 138 H ARG 16 H ARG 16 -4.787 1.873 10.408 139 HA ARG 16 HA ARG 16 -7.341 0.746 9.915 140 1HB ARG 16 2HB ARG 16 -6.696 -0.914 11.635 141 2HB ARG 16 1HB ARG 16 -5.453 -0.678 10.415 142 1HG ARG 16 2HG ARG 16 -4.205 0.748 11.946 143 2HG ARG 16 1HG ARG 16 -5.459 0.536 13.171 144 1HD ARG 16 2HD ARG 16 -3.761 -1.653 11.976 145 2HD ARG 16 1HD ARG 16 -3.547 -0.938 13.573 146 HE ARG 16 HE ARG 16 -6.174 -1.936 13.304 147 1HH1 ARG 16 1HH1 ARG 16 -2.880 -3.016 13.700 148 2HH1 ARG 16 2HH1 ARG 16 -3.326 -4.487 14.499 149 1HH2 ARG 16 1HH2 ARG 16 -6.763 -3.869 14.355 150 2HH2 ARG 16 2HH2 ARG 16 -5.531 -4.970 14.871 151 H ARG 17 H ARG 17 -6.259 3.098 12.148 152 HA ARG 17 HA ARG 17 -7.901 2.672 14.349 153 1HB ARG 17 2HB ARG 17 -6.146 4.663 13.489 154 2HB ARG 17 1HB ARG 17 -7.682 5.492 13.700 155 1HG ARG 17 2HG ARG 17 -7.752 4.315 15.989 156 2HG ARG 17 1HG ARG 17 -6.028 4.046 15.727 157 1HD ARG 17 2HD ARG 17 -5.557 6.338 15.707 158 2HD ARG 17 1HD ARG 17 -7.245 6.773 15.437 159 HE ARG 17 HE ARG 17 -7.547 6.760 17.694 160 1HH1 ARG 17 1HH1 ARG 17 -4.701 4.875 16.965 161 2HH1 ARG 17 2HH1 ARG 17 -4.286 4.629 18.628 162 1HH2 ARG 17 1HH2 ARG 17 -7.002 6.436 19.881 163 2HH2 ARG 17 2HH2 ARG 17 -5.592 5.514 20.284 164 H CYS 18 H CYS 18 -8.724 3.699 11.161 165 HA CYS 18 HA CYS 18 -11.002 5.204 11.513 166 1HB CYS 18 2HB CYS 18 -11.721 4.413 9.322 167 2HB CYS 18 1HB CYS 18 -9.985 4.711 9.319 168 HG CYS 18 HG CYS 18 -10.682 2.398 8.148 169 H GLN 19 H GLN 19 -13.284 4.307 10.836 170 HA GLN 19 HA GLN 19 -13.918 2.195 12.772 171 1HB GLN 19 2HB GLN 19 -16.253 3.075 12.594 172 2HB GLN 19 1HB GLN 19 -15.090 4.240 13.215 173 1HG GLN 19 2HG GLN 19 -15.183 5.545 11.333 174 2HG GLN 19 1HG GLN 19 -15.686 4.209 10.299 175 1HE2 GLN 19 1HE2 GLN 19 -16.687 6.987 11.717 176 2HE2 GLN 19 2HE2 GLN 19 -18.391 6.708 11.740 177 H THR 20 H THR 20 -14.272 3.112 9.407 178 HA THR 20 HA THR 20 -14.858 0.360 8.716 179 HB THR 20 HB THR 20 -17.100 1.149 9.073 180 HG1 THR 20 1HG THR 20 -17.890 0.587 7.152 181 1HG2 THR 20 1HG2 THR 20 -17.282 3.163 7.027 182 2HG2 THR 20 2HG2 THR 20 -16.161 3.642 8.302 183 3HG2 THR 20 3HG2 THR 20 -17.822 3.205 8.705 184 H ILE 21 H ILE 21 -14.886 0.050 6.323 185 HA ILE 21 HA ILE 21 -12.669 1.432 5.161 186 HB ILE 21 HB ILE 21 -14.556 -0.524 3.846 187 1HG1 ILE 21 2HG1 ILE 21 -13.563 -1.537 5.815 188 2HG1 ILE 21 1HG1 ILE 21 -12.805 -2.207 4.375 189 1HG2 ILE 21 1HG2 ILE 21 -11.768 0.354 3.108 190 2HG2 ILE 21 2HG2 ILE 21 -13.255 0.754 2.247 191 3HG2 ILE 21 3HG2 ILE 21 -12.689 -0.916 2.302 192 1HD1 ILE 21 1HD1 ILE 21 -11.221 -0.032 5.054 193 2HD1 ILE 21 2HD1 ILE 21 -10.856 -1.738 5.312 194 3HD1 ILE 21 3HD1 ILE 21 -11.626 -0.798 6.590 195 H ASP 22 H ASP 22 -16.160 1.383 4.568 196 HA ASP 22 HA ASP 22 -16.264 2.874 2.237 197 1HB ASP 22 2HB ASP 22 -18.128 2.312 4.464 198 2HB ASP 22 1HB ASP 22 -18.511 3.726 3.485 199 H THR 23 H THR 23 -16.300 4.056 5.594 200 HA THR 23 HA THR 23 -16.282 6.806 4.771 201 HB THR 23 HB THR 23 -16.362 5.312 7.325 202 HG1 THR 23 1HG THR 23 -18.254 6.148 6.711 203 1HG2 THR 23 1HG2 THR 23 -15.882 7.270 8.691 204 2HG2 THR 23 2HG2 THR 23 -15.341 8.140 7.255 205 3HG2 THR 23 3HG2 THR 23 -14.455 6.719 7.812 206 H LEU 24 H LEU 24 -13.929 4.482 6.011 207 HA LEU 24 HA LEU 24 -11.760 6.234 6.322 208 1HB LEU 24 2HB LEU 24 -11.654 4.042 7.274 209 2HB LEU 24 1HB LEU 24 -11.899 3.282 5.715 210 HG LEU 24 HG LEU 24 -9.541 3.237 6.733 211 1HD1 LEU 24 1HD1 LEU 24 -9.326 4.378 4.025 212 2HD1 LEU 24 2HD1 LEU 24 -10.426 3.011 4.209 213 3HD1 LEU 24 3HD1 LEU 24 -8.731 2.848 4.669 214 1HD2 LEU 24 1HD2 LEU 24 -8.304 5.103 6.905 215 2HD2 LEU 24 2HD2 LEU 24 -9.867 5.919 6.955 216 3HD2 LEU 24 3HD2 LEU 24 -8.977 5.809 5.436 217 H GLU 25 H GLU 25 -12.972 4.478 3.516 218 HA GLU 25 HA GLU 25 -10.835 4.919 1.769 219 1HB GLU 25 2HB GLU 25 -12.901 3.455 1.423 220 2HB GLU 25 1HB GLU 25 -13.731 4.923 0.927 221 1HG GLU 25 2HG GLU 25 -11.399 4.929 -0.563 222 2HG GLU 25 1HG GLU 25 -11.900 3.239 -0.545 223 H ARG 26 H ARG 26 -13.590 6.943 2.613 224 HA ARG 26 HA ARG 26 -13.270 8.946 0.691 225 1HB ARG 26 2HB ARG 26 -15.223 8.646 2.256 226 2HB ARG 26 1HB ARG 26 -14.236 9.361 3.523 227 1HG ARG 26 2HG ARG 26 -13.980 11.366 1.989 228 2HG ARG 26 1HG ARG 26 -15.269 10.652 1.019 229 1HD ARG 26 2HD ARG 26 -16.768 11.555 2.383 230 2HD ARG 26 1HD ARG 26 -16.125 10.587 3.709 231 HE ARG 26 HE ARG 26 -14.426 12.683 3.608 232 1HH1 ARG 26 1HH1 ARG 26 -17.905 12.449 3.757 233 2HH1 ARG 26 2HH1 ARG 26 -18.093 13.940 4.617 234 1HH2 ARG 26 1HH2 ARG 26 -14.672 14.644 4.739 235 2HH2 ARG 26 2HH2 ARG 26 -16.257 15.187 5.174 236 H VAL 27 H VAL 27 -11.701 8.463 3.816 237 HA VAL 27 HA VAL 27 -10.391 11.002 3.786 238 HB VAL 27 HB VAL 27 -10.889 9.645 5.869 239 1HG1 VAL 27 1HG1 VAL 27 -8.986 7.853 4.599 240 2HG1 VAL 27 2HG1 VAL 27 -10.111 7.565 5.922 241 3HG1 VAL 27 3HG1 VAL 27 -8.531 8.275 6.249 242 1HG2 VAL 27 1HG2 VAL 27 -9.645 11.435 6.443 243 2HG2 VAL 27 2HG2 VAL 27 -8.427 11.121 5.207 244 3HG2 VAL 27 3HG2 VAL 27 -8.403 10.213 6.720 245 H ILE 28 H ILE 28 -9.692 7.869 2.476 246 HA ILE 28 HA ILE 28 -6.905 8.067 2.193 247 HB ILE 28 HB ILE 28 -8.789 6.715 0.256 248 1HG1 ILE 28 2HG1 ILE 28 -7.575 5.689 2.831 249 2HG1 ILE 28 1HG1 ILE 28 -9.285 5.927 2.493 250 1HG2 ILE 28 1HG2 ILE 28 -7.001 5.724 -0.684 251 2HG2 ILE 28 2HG2 ILE 28 -6.146 5.570 0.850 252 3HG2 ILE 28 3HG2 ILE 28 -6.129 7.105 -0.018 253 1HD1 ILE 28 1HD1 ILE 28 -8.684 4.234 0.515 254 2HD1 ILE 28 2HD1 ILE 28 -9.199 3.712 2.119 255 3HD1 ILE 28 3HD1 ILE 28 -7.485 3.735 1.708 256 H GLU 29 H GLU 29 -9.572 9.236 0.222 257 HA GLU 29 HA GLU 29 -7.962 10.147 -1.944 258 1HB GLU 29 2HB GLU 29 -10.689 9.869 -1.452 259 2HB GLU 29 1HB GLU 29 -10.458 11.605 -1.607 260 1HG GLU 29 2HG GLU 29 -9.686 9.505 -3.620 261 2HG GLU 29 1HG GLU 29 -11.025 10.645 -3.743 262 H LYS 30 H LYS 30 -9.426 11.753 0.864 263 HA LYS 30 HA LYS 30 -8.486 14.345 0.237 264 1HB LYS 30 2HB LYS 30 -9.999 13.105 2.322 265 2HB LYS 30 1HB LYS 30 -8.742 14.091 3.056 266 1HG LYS 30 2HG LYS 30 -9.857 15.631 0.983 267 2HG LYS 30 1HG LYS 30 -11.204 14.898 1.853 268 1HD LYS 30 2HD LYS 30 -9.100 15.971 3.587 269 2HD LYS 30 1HD LYS 30 -9.906 17.187 2.594 270 1HE LYS 30 2HE LYS 30 -11.787 15.322 3.777 271 2HE LYS 30 1HE LYS 30 -10.813 16.141 4.996 272 1HZ LYS 30 1HZ LYS 30 -13.028 17.170 3.952 273 2HZ LYS 30 2HZ LYS 30 -11.885 17.830 2.894 274 3HZ LYS 30 3HZ LYS 30 -11.761 18.117 4.556 275 H ASN 31 H ASN 31 -7.232 11.824 2.408 276 HA ASN 31 HA ASN 31 -5.010 13.266 3.341 277 1HB ASN 31 2HB ASN 31 -6.087 10.889 3.997 278 2HB ASN 31 1HB ASN 31 -4.723 10.329 3.035 279 1HD2 ASN 31 1HD2 ASN 31 -5.621 10.786 6.060 280 2HD2 ASN 31 2HD2 ASN 31 -4.119 11.228 6.792 281 H LYS 32 H LYS 32 -5.513 11.331 0.463 282 HA LYS 32 HA LYS 32 -2.857 11.013 -0.349 283 1HB LYS 32 2HB LYS 32 -5.502 10.992 -1.714 284 2HB LYS 32 1HB LYS 32 -4.070 11.131 -2.724 285 1HG LYS 32 2HG LYS 32 -3.711 9.051 -0.775 286 2HG LYS 32 1HG LYS 32 -5.207 8.802 -1.677 287 1HD LYS 32 2HD LYS 32 -2.911 9.584 -3.327 288 2HD LYS 32 1HD LYS 32 -2.728 8.029 -2.513 289 1HE LYS 32 2HE LYS 32 -3.735 7.477 -4.541 290 2HE LYS 32 1HE LYS 32 -5.080 7.514 -3.402 291 1HZ LYS 32 1HZ LYS 32 -5.822 8.685 -5.263 292 2HZ LYS 32 2HZ LYS 32 -4.363 9.520 -5.452 293 3HZ LYS 32 3HZ LYS 32 -5.392 9.898 -4.163 294 H TYR 33 H TYR 33 -5.141 13.653 -0.895 295 HA TYR 33 HA TYR 33 -3.147 15.161 -2.386 296 1HB TYR 33 2HB TYR 33 -6.072 15.423 -1.879 297 2HB TYR 33 1HB TYR 33 -5.167 16.889 -2.242 298 HD1 TYR 33 1HD TYR 33 -7.225 14.657 -3.715 299 HD2 TYR 33 2HD TYR 33 -3.329 16.270 -4.280 300 HE1 TYR 33 1HE TYR 33 -7.366 14.142 -6.115 301 HE2 TYR 33 2HE TYR 33 -3.460 15.759 -6.683 302 HH TYR 33 HH TYR 33 -5.850 15.390 -8.359 303 H GLU 34 H GLU 34 -4.392 14.920 0.818 304 HA GLU 34 HA GLU 34 -3.942 17.508 1.769 305 1HB GLU 34 2HB GLU 34 -4.830 15.141 2.854 306 2HB GLU 34 1HB GLU 34 -3.307 15.394 3.692 307 1HG GLU 34 2HG GLU 34 -4.254 17.816 4.021 308 2HG GLU 34 1HG GLU 34 -5.800 17.010 3.752 309 H LEU 35 H LEU 35 -1.835 14.739 2.569 310 HA LEU 35 HA LEU 35 0.355 16.422 3.191 311 1HB LEU 35 2HB LEU 35 1.581 14.504 3.653 312 2HB LEU 35 1HB LEU 35 -0.045 14.087 4.080 313 HG LEU 35 HG LEU 35 1.758 12.829 2.193 314 1HD1 LEU 35 1HD1 LEU 35 0.720 10.943 2.890 315 2HD1 LEU 35 2HD1 LEU 35 -0.867 11.705 2.972 316 3HD1 LEU 35 3HD1 LEU 35 0.325 12.008 4.236 317 1HD2 LEU 35 1HD2 LEU 35 -0.860 13.784 1.174 318 2HD2 LEU 35 2HD2 LEU 35 -0.362 12.140 0.781 319 3HD2 LEU 35 3HD2 LEU 35 0.659 13.504 0.325 320 H SER 36 H SER 36 2.455 14.916 1.980 321 HA SER 36 HA SER 36 2.271 15.900 -0.790 322 1HB SER 36 2HB SER 36 4.381 16.224 1.275 323 2HB SER 36 1HB SER 36 4.933 15.911 -0.370 324 HG SER 36 HG SER 36 3.202 17.998 0.467 325 H ASP 37 H ASP 37 4.315 14.834 -2.013 326 HA ASP 37 HA ASP 37 3.643 12.143 -2.383 327 1HB ASP 37 2HB ASP 37 5.956 13.846 -3.252 328 2HB ASP 37 1HB ASP 37 5.968 12.114 -3.573 329 H ASN 38 H ASN 38 5.827 13.669 -0.162 330 HA ASN 38 HA ASN 38 7.425 11.376 0.367 331 1HB ASN 38 2HB ASN 38 8.142 13.726 0.795 332 2HB ASN 38 1HB ASN 38 7.008 13.780 2.139 333 1HD2 ASN 38 1HD2 ASN 38 8.796 14.212 3.506 334 2HD2 ASN 38 2HD2 ASN 38 9.833 12.934 4.032 335 H GLU 39 H GLU 39 4.684 12.853 2.147 336 HA GLU 39 HA GLU 39 4.726 10.692 4.057 337 1HB GLU 39 2HB GLU 39 2.266 12.236 4.058 338 2HB GLU 39 1HB GLU 39 3.432 11.992 5.341 339 1HG GLU 39 2HG GLU 39 3.680 14.020 3.132 340 2HG GLU 39 1HG GLU 39 3.113 14.350 4.765 341 H LEU 40 H LEU 40 3.071 11.485 1.113 342 HA LEU 40 HA LEU 40 0.883 9.745 1.308 343 1HB LEU 40 2HB LEU 40 1.072 11.486 -0.382 344 2HB LEU 40 1HB LEU 40 2.396 10.631 -1.145 345 HG LEU 40 HG LEU 40 -0.089 9.074 -0.864 346 1HD1 LEU 40 1HD1 LEU 40 -1.072 10.204 -2.880 347 2HD1 LEU 40 2HD1 LEU 40 0.053 11.532 -2.591 348 3HD1 LEU 40 3HD1 LEU 40 -1.162 11.125 -1.379 349 1HD2 LEU 40 1HD2 LEU 40 1.241 9.499 -3.460 350 2HD2 LEU 40 2HD2 LEU 40 0.698 8.009 -2.690 351 3HD2 LEU 40 3HD2 LEU 40 2.222 8.749 -2.200 352 H ALA 41 H ALA 41 4.217 9.198 0.298 353 HA ALA 41 HA ALA 41 3.929 6.675 -0.856 354 1HB ALA 41 1HB ALA 41 6.256 6.372 -0.508 355 2HB ALA 41 2HB ALA 41 6.269 7.479 0.864 356 3HB ALA 41 3HB ALA 41 6.024 8.100 -0.768 357 H VAL 42 H VAL 42 4.139 7.708 2.480 358 HA VAL 42 HA VAL 42 4.171 5.051 3.564 359 HB VAL 42 HB VAL 42 3.451 7.578 5.045 360 1HG1 VAL 42 1HG1 VAL 42 3.181 5.158 5.985 361 2HG1 VAL 42 2HG1 VAL 42 3.902 6.417 6.988 362 3HG1 VAL 42 3HG1 VAL 42 4.933 5.242 6.173 363 1HG2 VAL 42 1HG2 VAL 42 6.048 7.224 5.655 364 2HG2 VAL 42 2HG2 VAL 42 5.485 8.298 4.374 365 3HG2 VAL 42 3HG2 VAL 42 6.050 6.675 3.979 366 H PHE 43 H PHE 43 1.748 7.458 2.719 367 HA PHE 43 HA PHE 43 -0.371 6.173 4.167 368 1HB PHE 43 2HB PHE 43 -0.277 8.625 3.487 369 2HB PHE 43 1HB PHE 43 -0.698 8.090 1.863 370 HD1 PHE 43 1HD PHE 43 -1.902 8.760 5.199 371 HD2 PHE 43 2HD PHE 43 -2.874 6.981 1.458 372 HE1 PHE 43 1HE PHE 43 -4.284 8.772 5.818 373 HE2 PHE 43 2HE PHE 43 -5.258 6.991 2.069 374 HZ PHE 43 HZ PHE 43 -5.965 7.888 4.251 375 H TYR 44 H TYR 44 0.808 6.104 0.848 376 HA TYR 44 HA TYR 44 -1.351 4.556 -0.181 377 1HB TYR 44 2HB TYR 44 0.555 6.022 -1.360 378 2HB TYR 44 1HB TYR 44 1.313 4.439 -1.497 379 HD1 TYR 44 1HD TYR 44 -0.304 2.541 -2.416 380 HD2 TYR 44 2HD TYR 44 -0.839 6.712 -3.063 381 HE1 TYR 44 1HE TYR 44 -1.681 2.051 -4.393 382 HE2 TYR 44 2HE TYR 44 -2.218 6.234 -5.042 383 HH TYR 44 HH TYR 44 -3.550 4.447 -5.970 384 H SER 45 H SER 45 1.969 3.754 0.812 385 HA SER 45 HA SER 45 1.823 1.007 0.248 386 1HB SER 45 2HB SER 45 3.797 0.784 1.666 387 2HB SER 45 1HB SER 45 3.942 2.224 0.659 388 HG SER 45 HG SER 45 4.226 3.247 2.462 389 H ALA 46 H ALA 46 0.821 2.884 3.027 390 HA ALA 46 HA ALA 46 0.379 0.619 4.727 391 1HB ALA 46 1HB ALA 46 -1.029 2.478 5.970 392 2HB ALA 46 2HB ALA 46 -0.118 3.542 4.898 393 3HB ALA 46 3HB ALA 46 0.734 2.472 6.011 394 H ALA 47 H ALA 47 -1.601 2.603 2.601 395 HA ALA 47 HA ALA 47 -4.114 1.585 3.380 396 1HB ALA 47 1HB ALA 47 -4.988 2.860 1.708 397 2HB ALA 47 2HB ALA 47 -3.701 2.455 0.572 398 3HB ALA 47 3HB ALA 47 -3.409 3.631 1.854 399 H ASP 48 H ASP 48 -1.640 0.370 1.250 400 HA ASP 48 HA ASP 48 -3.315 -1.519 -0.100 401 1HB ASP 48 2HB ASP 48 -0.432 -0.846 -0.048 402 2HB ASP 48 1HB ASP 48 -0.818 -2.514 -0.461 403 H HIS 49 H HIS 49 -0.959 -1.741 2.566 404 HA HIS 49 HA HIS 49 -1.067 -4.494 2.976 405 1HB HIS 49 2HB HIS 49 -0.171 -2.166 4.467 406 2HB HIS 49 1HB HIS 49 -0.867 -3.379 5.537 407 HD1 HIS 49 1HD HIS 49 1.361 -4.083 6.560 408 HD2 HIS 49 2HD HIS 49 1.253 -4.447 2.422 409 HE1 HIS 49 1HE HIS 49 3.418 -5.394 5.946 410 HE2 HIS 49 2HE HIS 49 3.382 -5.514 3.430 411 H ARG 50 H ARG 50 -3.156 -1.922 4.184 412 HA ARG 50 HA ARG 50 -4.809 -3.546 5.815 413 1HB ARG 50 2HB ARG 50 -4.563 -0.880 5.446 414 2HB ARG 50 1HB ARG 50 -5.990 -1.186 4.463 415 1HG ARG 50 2HG ARG 50 -7.028 -0.787 6.431 416 2HG ARG 50 1HG ARG 50 -6.716 -2.508 6.662 417 1HD ARG 50 2HD ARG 50 -4.560 -0.668 7.485 418 2HD ARG 50 1HD ARG 50 -6.035 -0.616 8.448 419 HE ARG 50 HE ARG 50 -5.507 -3.259 8.290 420 1HH1 ARG 50 1HH1 ARG 50 -3.574 -0.504 9.212 421 2HH1 ARG 50 2HH1 ARG 50 -2.594 -1.405 10.320 422 1HH2 ARG 50 1HH2 ARG 50 -4.220 -4.445 9.746 423 2HH2 ARG 50 2HH2 ARG 50 -2.960 -3.642 10.624 424 H LEU 51 H LEU 51 -5.086 -2.319 2.523 425 HA LEU 51 HA LEU 51 -7.540 -3.451 1.833 426 1HB LEU 51 2HB LEU 51 -6.846 -1.902 0.293 427 2HB LEU 51 1HB LEU 51 -5.169 -2.377 0.414 428 HG LEU 51 HG LEU 51 -6.272 -2.755 -1.819 429 1HD1 LEU 51 1HD1 LEU 51 -5.422 -5.430 -1.210 430 2HD1 LEU 51 2HD1 LEU 51 -4.390 -4.250 -0.399 431 3HD1 LEU 51 3HD1 LEU 51 -4.609 -4.178 -2.148 432 1HD2 LEU 51 1HD2 LEU 51 -7.386 -5.318 -1.115 433 2HD2 LEU 51 2HD2 LEU 51 -8.107 -3.990 -2.024 434 3HD2 LEU 51 3HD2 LEU 51 -8.218 -4.016 -0.264 435 H ALA 52 H ALA 52 -4.276 -4.753 1.811 436 HA ALA 52 HA ALA 52 -4.746 -7.111 0.374 437 1HB ALA 52 1HB ALA 52 -2.564 -7.368 0.688 438 2HB ALA 52 2HB ALA 52 -2.781 -7.518 2.432 439 3HB ALA 52 3HB ALA 52 -2.588 -5.925 1.701 440 H GLU 53 H GLU 53 -4.747 -6.566 3.905 441 HA GLU 53 HA GLU 53 -5.478 -9.208 4.570 442 1HB GLU 53 2HB GLU 53 -6.182 -8.194 6.771 443 2HB GLU 53 1HB GLU 53 -4.521 -7.881 6.290 444 1HG GLU 53 2HG GLU 53 -5.078 -5.649 5.613 445 2HG GLU 53 1HG GLU 53 -6.793 -5.952 5.886 446 H LEU 54 H LEU 54 -7.328 -6.418 3.601 447 HA LEU 54 HA LEU 54 -9.862 -7.199 4.510 448 1HB LEU 54 2HB LEU 54 -8.791 -5.322 2.514 449 2HB LEU 54 1HB LEU 54 -10.409 -5.900 2.166 450 HG LEU 54 HG LEU 54 -10.854 -5.225 4.675 451 1HD1 LEU 54 1HD1 LEU 54 -9.578 -3.265 5.345 452 2HD1 LEU 54 2HD1 LEU 54 -8.558 -3.424 3.916 453 3HD1 LEU 54 3HD1 LEU 54 -8.524 -4.668 5.166 454 1HD2 LEU 54 1HD2 LEU 54 -11.049 -2.745 3.600 455 2HD2 LEU 54 2HD2 LEU 54 -12.209 -4.046 3.322 456 3HD2 LEU 54 3HD2 LEU 54 -10.933 -3.734 2.144 457 H THR 55 H THR 55 -8.004 -8.102 1.680 458 HA THR 55 HA THR 55 -10.170 -9.604 0.497 459 HB THR 55 HB THR 55 -7.231 -9.515 -0.218 460 HG1 THR 55 1HG THR 55 -7.683 -7.797 -1.334 461 1HG2 THR 55 1HG2 THR 55 -7.641 -11.105 -1.692 462 2HG2 THR 55 2HG2 THR 55 -8.803 -10.034 -2.475 463 3HG2 THR 55 3HG2 THR 55 -9.341 -11.157 -1.225 464 H MET 56 H MET 56 -7.317 -10.213 2.435 465 HA MET 56 HA MET 56 -7.777 -13.101 2.357 466 1HB MET 56 2HB MET 56 -5.470 -11.684 2.325 467 2HB MET 56 1HB MET 56 -5.627 -11.998 4.047 468 1HG MET 56 2HG MET 56 -4.420 -13.819 3.405 469 2HG MET 56 1HG MET 56 -6.057 -14.453 3.242 470 1HE MET 56 1HE MET 56 -2.975 -13.203 1.917 471 2HE MET 56 2HE MET 56 -3.176 -12.948 0.184 472 3HE MET 56 3HE MET 56 -2.710 -14.535 0.793 473 H ASN 57 H ASN 57 -9.435 -10.996 3.817 474 HA ASN 57 HA ASN 57 -10.745 -11.057 5.666 475 1HB ASN 57 2HB ASN 57 -9.092 -13.329 6.757 476 2HB ASN 57 1HB ASN 57 -10.745 -12.894 7.175 477 1HD2 ASN 57 1HD2 ASN 57 -10.481 -15.401 6.602 478 2HD2 ASN 57 2HD2 ASN 57 -11.036 -15.791 5.013 479 H LYS 58 H LYS 58 -7.620 -12.108 7.021 480 HA LYS 58 HA LYS 58 -7.170 -9.454 8.117 481 1HB LYS 58 2HB LYS 58 -7.924 -11.833 9.753 482 2HB LYS 58 1HB LYS 58 -6.747 -10.705 10.407 483 1HG LYS 58 2HG LYS 58 -9.225 -9.525 9.322 484 2HG LYS 58 1HG LYS 58 -9.380 -10.474 10.800 485 1HD LYS 58 2HD LYS 58 -9.000 -8.221 11.457 486 2HD LYS 58 1HD LYS 58 -7.499 -9.101 11.751 487 1HE LYS 58 2HE LYS 58 -6.371 -8.001 10.114 488 2HE LYS 58 1HE LYS 58 -7.803 -7.816 9.103 489 1HZ LYS 58 1HZ LYS 58 -7.635 -5.693 9.778 490 2HZ LYS 58 2HZ LYS 58 -6.760 -6.071 11.175 491 3HZ LYS 58 3HZ LYS 58 -8.442 -6.252 11.156 492 H LEU 59 H LEU 59 -5.775 -11.108 6.201 493 HA LEU 59 HA LEU 59 -3.299 -11.630 7.708 494 1HB LEU 59 2HB LEU 59 -4.158 -13.676 6.774 495 2HB LEU 59 1HB LEU 59 -4.331 -12.937 5.195 496 HG LEU 59 HG LEU 59 -2.359 -14.523 5.548 497 1HD1 LEU 59 1HD1 LEU 59 -1.222 -13.488 3.872 498 2HD1 LEU 59 2HD1 LEU 59 -1.328 -11.897 4.628 499 3HD1 LEU 59 3HD1 LEU 59 -2.729 -12.574 3.796 500 1HD2 LEU 59 1HD2 LEU 59 -1.367 -12.122 7.079 501 2HD2 LEU 59 2HD2 LEU 59 -0.336 -13.425 6.490 502 3HD2 LEU 59 3HD2 LEU 59 -1.585 -13.762 7.688 503 H TYR 60 H TYR 60 -1.762 -10.185 7.370 504 HA TYR 60 HA TYR 60 -1.405 -9.091 4.677 505 1HB TYR 60 2HB TYR 60 -1.321 -6.871 5.353 506 2HB TYR 60 1HB TYR 60 -2.626 -7.507 6.343 507 HD1 TYR 60 1HD TYR 60 0.938 -6.546 6.361 508 HD2 TYR 60 2HD TYR 60 -2.475 -7.491 8.714 509 HE1 TYR 60 1HE TYR 60 2.117 -5.761 8.373 510 HE2 TYR 60 2HE TYR 60 -1.309 -6.709 10.734 511 HH TYR 60 HH TYR 60 1.111 -6.436 11.474 512 H ASP 61 H ASP 61 0.756 -8.147 4.343 513 HA ASP 61 HA ASP 61 3.031 -7.980 4.677 514 1HB ASP 61 2HB ASP 61 2.403 -8.295 7.218 515 2HB ASP 61 1HB ASP 61 3.023 -9.921 6.953 516 H LYS 62 H LYS 62 1.253 -10.951 4.651 517 HA LYS 62 HA LYS 62 3.506 -12.268 3.287 518 1HB LYS 62 2HB LYS 62 1.325 -13.380 5.038 519 2HB LYS 62 1HB LYS 62 2.211 -14.406 3.916 520 1HG LYS 62 2HG LYS 62 3.486 -14.725 5.758 521 2HG LYS 62 1HG LYS 62 4.287 -13.282 5.132 522 1HD LYS 62 2HD LYS 62 3.959 -12.543 7.246 523 2HD LYS 62 1HD LYS 62 2.366 -12.127 6.610 524 1HE LYS 62 2HE LYS 62 1.326 -13.742 7.796 525 2HE LYS 62 1HE LYS 62 2.659 -14.881 7.611 526 1HZ LYS 62 1HZ LYS 62 3.633 -14.185 9.504 527 2HZ LYS 62 2HZ LYS 62 2.065 -13.696 9.906 528 3HZ LYS 62 3HZ LYS 62 3.170 -12.569 9.299 529 H ILE 63 H ILE 63 1.196 -10.509 2.309 530 HA ILE 63 HA ILE 63 -0.591 -12.101 0.835 531 HB ILE 63 HB ILE 63 0.352 -9.337 0.075 532 1HG1 ILE 63 2HG1 ILE 63 -2.112 -9.175 1.423 533 2HG1 ILE 63 1HG1 ILE 63 -1.107 -10.231 2.409 534 1HG2 ILE 63 1HG2 ILE 63 -1.331 -9.268 -1.410 535 2HG2 ILE 63 2HG2 ILE 63 -2.440 -10.131 -0.346 536 3HG2 ILE 63 3HG2 ILE 63 -1.264 -11.027 -1.308 537 1HD1 ILE 63 1HD1 ILE 63 -0.486 -7.421 1.538 538 2HD1 ILE 63 2HD1 ILE 63 0.648 -8.477 2.380 539 3HD1 ILE 63 3HD1 ILE 63 -0.850 -7.983 3.171 540 HA PRO 64 HA PRO 64 2.389 -13.503 -2.218 541 1HB PRO 64 2HB PRO 64 0.725 -15.122 -3.593 542 2HB PRO 64 1HB PRO 64 1.377 -15.564 -2.010 543 1HG PRO 64 2HG PRO 64 -1.310 -14.443 -2.707 544 2HG PRO 64 1HG PRO 64 -0.902 -15.755 -1.585 545 1HD PRO 64 2HD PRO 64 -1.434 -13.210 -0.772 546 2HD PRO 64 1HD PRO 64 -0.339 -14.300 0.106 547 H SER 65 H SER 65 1.863 -14.019 -4.789 548 HA SER 65 HA SER 65 1.262 -11.383 -5.849 549 1HB SER 65 2HB SER 65 2.185 -12.250 -7.955 550 2HB SER 65 1HB SER 65 3.289 -12.548 -6.612 551 HG SER 65 HG SER 65 3.159 -14.578 -7.086 552 H SER 66 H SER 66 -0.162 -14.547 -5.710 553 HA SER 66 HA SER 66 -1.965 -14.222 -7.891 554 1HB SER 66 2HB SER 66 -1.680 -16.148 -5.625 555 2HB SER 66 1HB SER 66 -3.214 -16.097 -6.495 556 HG SER 66 HG SER 66 -2.019 -17.527 -7.615 557 H VAL 67 H VAL 67 -2.296 -13.832 -4.374 558 HA VAL 67 HA VAL 67 -5.027 -13.141 -4.386 559 HB VAL 67 HB VAL 67 -2.940 -12.267 -2.383 560 1HG1 VAL 67 1HG1 VAL 67 -5.673 -12.844 -1.495 561 2HG1 VAL 67 2HG1 VAL 67 -5.532 -11.449 -2.565 562 3HG1 VAL 67 3HG1 VAL 67 -4.597 -11.513 -1.071 563 1HG2 VAL 67 1HG2 VAL 67 -4.677 -14.588 -1.826 564 2HG2 VAL 67 2HG2 VAL 67 -2.991 -14.301 -1.397 565 3HG2 VAL 67 3HG2 VAL 67 -3.407 -14.834 -3.025 566 H TRP 68 H TRP 68 -2.104 -11.108 -4.352 567 HA TRP 68 HA TRP 68 -3.415 -8.631 -4.326 568 1HB TRP 68 2HB TRP 68 -0.744 -9.551 -4.474 569 2HB TRP 68 1HB TRP 68 -0.973 -8.460 -5.834 570 HD1 TRP 68 HD TRP 68 0.253 -8.302 -2.508 571 HE1 TRP 68 1HE TRP 68 -0.006 -5.967 -1.479 572 HE3 TRP 68 3HE TRP 68 -3.132 -6.327 -5.789 573 HZ2 TRP 68 2HZ TRP 68 -1.453 -3.595 -1.977 574 HZ3 TRP 68 3HZ TRP 68 -3.903 -4.018 -5.442 575 HH2 TRP 68 HH TRP 68 -3.079 -2.681 -3.573 576 H LYS 69 H LYS 69 -2.300 -10.639 -7.025 577 HA LYS 69 HA LYS 69 -2.895 -8.898 -9.116 578 1HB LYS 69 2HB LYS 69 -2.401 -11.766 -8.815 579 2HB LYS 69 1HB LYS 69 -3.467 -11.389 -10.161 580 1HG LYS 69 2HG LYS 69 -1.786 -10.635 -11.397 581 2HG LYS 69 1HG LYS 69 -1.183 -9.617 -10.087 582 1HD LYS 69 2HD LYS 69 0.262 -11.222 -9.321 583 2HD LYS 69 1HD LYS 69 -0.734 -12.553 -9.912 584 1HE LYS 69 2HE LYS 69 1.182 -12.531 -11.285 585 2HE LYS 69 1HE LYS 69 -0.104 -11.807 -12.249 586 1HZ LYS 69 1HZ LYS 69 0.876 -9.785 -12.208 587 2HZ LYS 69 2HZ LYS 69 2.278 -10.710 -12.007 588 3HZ LYS 69 3HZ LYS 69 1.541 -9.994 -10.664 589 H PHE 70 H PHE 70 -4.997 -10.839 -7.142 590 HA PHE 70 HA PHE 70 -7.258 -10.710 -8.896 591 1HB PHE 70 2HB PHE 70 -6.627 -12.273 -6.766 592 2HB PHE 70 1HB PHE 70 -7.744 -11.138 -6.015 593 HD1 PHE 70 1HD PHE 70 -7.405 -14.027 -8.102 594 HD2 PHE 70 2HD PHE 70 -10.042 -10.869 -7.016 595 HE1 PHE 70 1HE PHE 70 -9.303 -15.308 -9.003 596 HE2 PHE 70 2HE PHE 70 -11.945 -12.144 -7.913 597 HZ PHE 70 HZ PHE 70 -11.576 -14.367 -8.908 598 H ILE 71 H ILE 71 -6.390 -9.056 -5.859 599 HA ILE 71 HA ILE 71 -8.600 -7.189 -6.251 600 HB ILE 71 HB ILE 71 -8.232 -8.163 -4.006 601 1HG1 ILE 71 2HG1 ILE 71 -7.653 -5.371 -3.395 602 2HG1 ILE 71 1HG1 ILE 71 -8.838 -5.539 -4.685 603 1HG2 ILE 71 1HG2 ILE 71 -5.612 -7.887 -4.427 604 2HG2 ILE 71 2HG2 ILE 71 -6.316 -7.976 -2.812 605 3HG2 ILE 71 3HG2 ILE 71 -5.901 -6.410 -3.508 606 1HD1 ILE 71 1HD1 ILE 71 -10.284 -5.625 -2.976 607 2HD1 ILE 71 2HD1 ILE 71 -9.056 -6.149 -1.823 608 3HD1 ILE 71 3HD1 ILE 71 -9.800 -7.320 -2.910 609 H ARG 72 H ARG 72 -8.370 -5.153 -6.933 610 HA ARG 72 HA ARG 72 -5.630 -4.124 -7.278 611 1HB ARG 72 2HB ARG 72 -8.110 -3.697 -8.944 612 2HB ARG 72 1HB ARG 72 -6.662 -2.715 -9.117 613 1HG ARG 72 2HG ARG 72 -6.296 -5.643 -9.240 614 2HG ARG 72 1HG ARG 72 -7.141 -4.884 -10.591 615 1HD ARG 72 2HD ARG 72 -5.077 -4.525 -11.396 616 2HD ARG 72 1HD ARG 72 -5.051 -3.185 -10.251 617 HE ARG 72 HE ARG 72 -4.149 -5.262 -8.779 618 1HH1 ARG 72 1HH1 ARG 72 -3.221 -3.967 -11.883 619 2HH1 ARG 72 2HH1 ARG 72 -1.564 -4.444 -11.728 620 1HH2 ARG 72 1HH2 ARG 72 -1.969 -5.890 -8.571 621 2HH2 ARG 72 2HH2 ARG 72 -0.853 -5.539 -9.848 Start of MODEL 2 1 1H MET 1 1HT MET 1 8.584 11.923 18.342 2 2H MET 1 2HT MET 1 8.355 10.955 16.942 3 3H MET 1 3HT MET 1 9.764 11.923 17.098 4 HA MET 1 HA MET 1 10.269 10.611 19.136 5 1HB MET 1 2HB MET 1 7.839 9.727 19.082 6 2HB MET 1 1HB MET 1 8.423 8.605 17.861 7 1HG MET 1 2HG MET 1 9.884 7.557 19.370 8 2HG MET 1 1HG MET 1 9.721 8.854 20.552 9 1HE MET 1 1HE MET 1 7.832 5.002 20.373 10 2HE MET 1 2HE MET 1 8.849 5.513 21.719 11 3HE MET 1 3HE MET 1 9.434 5.669 20.063 12 H SER 2 H SER 2 9.454 9.649 15.820 13 HA SER 2 HA SER 2 12.201 8.615 15.539 14 1HB SER 2 2HB SER 2 10.882 7.252 13.603 15 2HB SER 2 1HB SER 2 11.136 6.627 15.233 16 HG SER 2 HG SER 2 8.836 7.956 14.238 17 H GLU 3 H GLU 3 9.412 9.785 13.650 18 HA GLU 3 HA GLU 3 11.285 11.362 12.027 19 1HB GLU 3 2HB GLU 3 10.385 9.157 10.956 20 2HB GLU 3 1HB GLU 3 8.896 10.069 10.758 21 1HG GLU 3 2HG GLU 3 9.704 10.913 8.886 22 2HG GLU 3 1HG GLU 3 10.953 11.730 9.825 23 H LYS 4 H LYS 4 10.574 13.371 11.418 24 HA LYS 4 HA LYS 4 8.615 14.627 12.963 25 1HB LYS 4 2HB LYS 4 10.350 15.356 10.721 26 2HB LYS 4 1HB LYS 4 8.831 16.239 10.738 27 1HG LYS 4 2HG LYS 4 9.530 16.478 13.321 28 2HG LYS 4 1HG LYS 4 11.126 16.379 12.575 29 1HD LYS 4 2HD LYS 4 10.852 18.606 12.323 30 2HD LYS 4 1HD LYS 4 9.923 18.121 10.904 31 1HE LYS 4 2HE LYS 4 7.886 18.475 11.958 32 2HE LYS 4 1HE LYS 4 8.590 18.363 13.571 33 1HZ LYS 4 1HZ LYS 4 8.639 20.625 11.684 34 2HZ LYS 4 2HZ LYS 4 9.841 20.484 12.865 35 3HZ LYS 4 3HZ LYS 4 8.218 20.611 13.323 36 HA PRO 5 HA PRO 5 5.592 14.356 9.284 37 1HB PRO 5 2HB PRO 5 6.324 13.278 6.954 38 2HB PRO 5 1HB PRO 5 6.807 14.922 7.393 39 1HG PRO 5 2HG PRO 5 8.390 12.384 7.518 40 2HG PRO 5 1HG PRO 5 8.895 13.992 6.969 41 1HD PRO 5 2HD PRO 5 9.421 12.963 9.473 42 2HD PRO 5 1HD PRO 5 9.364 14.694 9.092 43 H LEU 6 H LEU 6 6.230 12.234 11.177 44 HA LEU 6 HA LEU 6 5.554 10.144 11.753 45 1HB LEU 6 2HB LEU 6 3.727 10.522 9.382 46 2HB LEU 6 1HB LEU 6 3.574 9.241 10.567 47 HG LEU 6 HG LEU 6 2.825 12.098 10.759 48 1HD1 LEU 6 1HD1 LEU 6 0.888 11.269 11.651 49 2HD1 LEU 6 2HD1 LEU 6 1.688 9.874 12.375 50 3HD1 LEU 6 3HD1 LEU 6 1.383 9.913 10.639 51 1HD2 LEU 6 1HD2 LEU 6 2.910 11.871 13.300 52 2HD2 LEU 6 2HD2 LEU 6 4.428 12.215 12.471 53 3HD2 LEU 6 3HD2 LEU 6 4.079 10.579 13.029 54 H THR 7 H THR 7 5.556 7.860 11.113 55 HA THR 7 HA THR 7 7.365 7.407 8.833 56 HB THR 7 HB THR 7 7.674 5.155 10.248 57 HG1 THR 7 1HG THR 7 7.474 5.506 12.400 58 1HG2 THR 7 1HG2 THR 7 9.740 5.875 10.646 59 2HG2 THR 7 2HG2 THR 7 9.179 7.287 11.541 60 3HG2 THR 7 3HG2 THR 7 9.249 7.329 9.779 61 H LYS 8 H LYS 8 7.206 4.900 8.221 62 HA LYS 8 HA LYS 8 4.773 4.577 6.881 63 1HB LYS 8 2HB LYS 8 7.247 3.339 6.845 64 2HB LYS 8 1HB LYS 8 6.168 2.064 7.394 65 1HG LYS 8 2HG LYS 8 5.527 1.718 5.307 66 2HG LYS 8 1HG LYS 8 4.900 3.365 5.227 67 1HD LYS 8 2HD LYS 8 7.598 3.747 4.924 68 2HD LYS 8 1HD LYS 8 7.335 2.219 4.080 69 1HE LYS 8 2HE LYS 8 5.242 3.687 3.170 70 2HE LYS 8 1HE LYS 8 6.462 4.941 3.392 71 1HZ LYS 8 1HZ LYS 8 7.074 4.303 1.342 72 2HZ LYS 8 2HZ LYS 8 6.366 2.771 1.471 73 3HZ LYS 8 3HZ LYS 8 7.887 3.060 2.154 74 H THR 9 H THR 9 5.803 3.549 10.049 75 HA THR 9 HA THR 9 3.620 1.716 10.432 76 HB THR 9 HB THR 9 4.492 2.096 12.931 77 HG1 THR 9 1HG THR 9 5.957 3.671 12.632 78 1HG2 THR 9 1HG2 THR 9 6.358 0.450 12.438 79 2HG2 THR 9 2HG2 THR 9 5.817 0.512 10.761 80 3HG2 THR 9 3HG2 THR 9 4.717 -0.045 12.023 81 H ASP 10 H ASP 10 4.237 5.090 11.051 82 HA ASP 10 HA ASP 10 2.230 5.560 12.965 83 1HB ASP 10 2HB ASP 10 3.664 7.303 10.984 84 2HB ASP 10 1HB ASP 10 2.344 7.953 11.951 85 H TYR 11 H TYR 11 2.173 5.941 9.422 86 HA TYR 11 HA TYR 11 -0.602 6.630 9.366 87 1HB TYR 11 2HB TYR 11 1.487 6.035 7.312 88 2HB TYR 11 1HB TYR 11 -0.206 6.006 6.831 89 HD1 TYR 11 1HD TYR 11 1.762 8.242 9.095 90 HD2 TYR 11 2HD TYR 11 -0.720 7.922 5.654 91 HE1 TYR 11 1HE TYR 11 1.798 10.688 8.849 92 HE2 TYR 11 2HE TYR 11 -0.689 10.369 5.399 93 HH TYR 11 HH TYR 11 1.454 12.328 6.710 94 H LEU 12 H LEU 12 1.254 3.691 8.703 95 HA LEU 12 HA LEU 12 -0.788 2.067 7.753 96 1HB LEU 12 2HB LEU 12 1.512 1.365 7.657 97 2HB LEU 12 1HB LEU 12 1.637 1.378 9.406 98 HG LEU 12 HG LEU 12 -0.410 -0.405 8.999 99 1HD1 LEU 12 1HD1 LEU 12 1.415 -0.446 6.646 100 2HD1 LEU 12 2HD1 LEU 12 -0.323 -0.727 6.732 101 3HD1 LEU 12 3HD1 LEU 12 0.798 -1.969 7.286 102 1HD2 LEU 12 1HD2 LEU 12 1.677 -2.072 9.162 103 2HD2 LEU 12 2HD2 LEU 12 1.093 -1.126 10.530 104 3HD2 LEU 12 3HD2 LEU 12 2.480 -0.564 9.597 105 H MET 13 H MET 13 0.169 2.763 11.086 106 HA MET 13 HA MET 13 -1.718 0.952 12.239 107 1HB MET 13 2HB MET 13 -0.074 3.204 13.390 108 2HB MET 13 1HB MET 13 -1.159 2.221 14.363 109 1HG MET 13 2HG MET 13 0.781 0.757 12.696 110 2HG MET 13 1HG MET 13 1.444 1.689 14.036 111 1HE MET 13 1HE MET 13 -1.272 -1.038 13.085 112 2HE MET 13 2HE MET 13 -2.136 0.173 14.033 113 3HE MET 13 3HE MET 13 -1.877 -1.443 14.692 114 H ARG 14 H ARG 14 -1.638 4.445 11.673 115 HA ARG 14 HA ARG 14 -4.074 5.026 12.979 116 1HB ARG 14 2HB ARG 14 -2.565 6.491 10.813 117 2HB ARG 14 1HB ARG 14 -4.002 7.134 11.596 118 1HG ARG 14 2HG ARG 14 -1.570 6.307 13.148 119 2HG ARG 14 1HG ARG 14 -1.759 7.925 12.470 120 1HD ARG 14 2HD ARG 14 -3.924 8.103 13.706 121 2HD ARG 14 1HD ARG 14 -3.539 6.571 14.489 122 HE ARG 14 HE ARG 14 -1.487 8.570 14.756 123 1HH1 ARG 14 1HH1 ARG 14 -4.433 7.285 16.115 124 2HH1 ARG 14 2HH1 ARG 14 -4.111 7.892 17.704 125 1HH2 ARG 14 1HH2 ARG 14 -1.062 9.368 16.845 126 2HH2 ARG 14 2HH2 ARG 14 -2.198 9.074 18.120 127 H LEU 15 H LEU 15 -3.288 4.169 9.646 128 HA LEU 15 HA LEU 15 -5.781 4.683 8.486 129 1HB LEU 15 2HB LEU 15 -3.415 3.863 7.527 130 2HB LEU 15 1HB LEU 15 -4.256 2.325 7.533 131 HG LEU 15 HG LEU 15 -5.691 4.604 6.298 132 1HD1 LEU 15 1HD1 LEU 15 -4.439 4.746 4.368 133 2HD1 LEU 15 2HD1 LEU 15 -3.615 3.216 4.664 134 3HD1 LEU 15 3HD1 LEU 15 -3.186 4.644 5.605 135 1HD2 LEU 15 1HD2 LEU 15 -5.428 1.656 5.929 136 2HD2 LEU 15 2HD2 LEU 15 -6.006 2.651 4.593 137 3HD2 LEU 15 3HD2 LEU 15 -6.877 2.640 6.126 138 H ARG 16 H ARG 16 -4.523 1.748 10.028 139 HA ARG 16 HA ARG 16 -6.919 0.245 9.587 140 1HB ARG 16 2HB ARG 16 -4.455 -0.557 10.035 141 2HB ARG 16 1HB ARG 16 -4.943 -0.460 11.721 142 1HG ARG 16 2HG ARG 16 -6.393 -2.211 11.550 143 2HG ARG 16 1HG ARG 16 -6.710 -1.926 9.838 144 1HD ARG 16 2HD ARG 16 -4.969 -3.196 9.170 145 2HD ARG 16 1HD ARG 16 -3.944 -2.678 10.509 146 HE ARG 16 HE ARG 16 -5.770 -4.263 11.714 147 1HH1 ARG 16 1HH1 ARG 16 -3.684 -4.713 8.954 148 2HH1 ARG 16 2HH1 ARG 16 -3.534 -6.422 9.189 149 1HH2 ARG 16 1HH2 ARG 16 -5.573 -6.511 12.026 150 2HH2 ARG 16 2HH2 ARG 16 -4.607 -7.443 10.932 151 H ARG 17 H ARG 17 -5.790 2.427 12.028 152 HA ARG 17 HA ARG 17 -7.284 1.629 14.233 153 1HB ARG 17 2HB ARG 17 -5.518 3.406 14.192 154 2HB ARG 17 1HB ARG 17 -6.687 4.483 13.441 155 1HG ARG 17 2HG ARG 17 -8.131 3.814 15.546 156 2HG ARG 17 1HG ARG 17 -6.539 3.487 16.232 157 1HD ARG 17 2HD ARG 17 -6.424 5.661 16.703 158 2HD ARG 17 1HD ARG 17 -6.234 5.933 14.972 159 HE ARG 17 HE ARG 17 -8.924 5.812 15.311 160 1HH1 ARG 17 1HH1 ARG 17 -6.386 7.691 16.796 161 2HH1 ARG 17 2HH1 ARG 17 -7.408 9.053 17.110 162 1HH2 ARG 17 1HH2 ARG 17 -10.269 7.603 15.722 163 2HH2 ARG 17 2HH2 ARG 17 -9.613 9.003 16.502 164 H CYS 18 H CYS 18 -8.325 3.074 11.276 165 HA CYS 18 HA CYS 18 -10.627 4.417 11.998 166 1HB CYS 18 2HB CYS 18 -9.459 3.757 9.631 167 2HB CYS 18 1HB CYS 18 -10.890 2.733 9.589 168 HG CYS 18 HG CYS 18 -12.274 5.026 9.954 169 H GLN 19 H GLN 19 -12.916 3.583 11.370 170 HA GLN 19 HA GLN 19 -13.348 1.123 12.904 171 1HB GLN 19 2HB GLN 19 -15.715 1.930 13.049 172 2HB GLN 19 1HB GLN 19 -14.537 2.993 13.807 173 1HG GLN 19 2HG GLN 19 -14.653 4.543 12.020 174 2HG GLN 19 1HG GLN 19 -15.576 3.421 11.022 175 1HE2 GLN 19 1HE2 GLN 19 -16.083 6.185 12.117 176 2HE2 GLN 19 2HE2 GLN 19 -17.644 6.073 12.849 177 H THR 20 H THR 20 -14.115 2.663 9.831 178 HA THR 20 HA THR 20 -14.777 0.028 8.746 179 HB THR 20 HB THR 20 -16.914 1.125 9.343 180 HG1 THR 20 1HG THR 20 -16.882 -0.246 7.545 181 1HG2 THR 20 1HG2 THR 20 -16.974 3.348 9.127 182 2HG2 THR 20 2HG2 THR 20 -17.413 2.992 7.456 183 3HG2 THR 20 3HG2 THR 20 -15.739 3.364 7.869 184 H ILE 21 H ILE 21 -14.724 -0.043 6.389 185 HA ILE 21 HA ILE 21 -12.471 1.391 5.368 186 HB ILE 21 HB ILE 21 -14.396 -0.430 3.918 187 1HG1 ILE 21 2HG1 ILE 21 -13.323 -1.607 5.744 188 2HG1 ILE 21 1HG1 ILE 21 -12.610 -2.133 4.223 189 1HG2 ILE 21 1HG2 ILE 21 -12.626 -0.658 2.255 190 2HG2 ILE 21 2HG2 ILE 21 -11.635 0.498 3.146 191 3HG2 ILE 21 3HG2 ILE 21 -13.148 1.021 2.406 192 1HD1 ILE 21 1HD1 ILE 21 -11.431 -0.366 6.331 193 2HD1 ILE 21 2HD1 ILE 21 -10.786 -0.412 4.690 194 3HD1 ILE 21 3HD1 ILE 21 -10.804 -1.877 5.672 195 H ASP 22 H ASP 22 -15.960 1.536 4.879 196 HA ASP 22 HA ASP 22 -16.095 3.171 2.651 197 1HB ASP 22 2HB ASP 22 -17.895 2.887 5.046 198 2HB ASP 22 1HB ASP 22 -18.281 4.000 3.738 199 H THR 23 H THR 23 -15.996 4.179 6.072 200 HA THR 23 HA THR 23 -15.882 6.957 5.426 201 HB THR 23 HB THR 23 -15.823 5.298 7.871 202 HG1 THR 23 1HG THR 23 -17.038 7.713 7.055 203 1HG2 THR 23 1HG2 THR 23 -15.135 7.143 9.321 204 2HG2 THR 23 2HG2 THR 23 -14.635 8.061 7.901 205 3HG2 THR 23 3HG2 THR 23 -13.812 6.556 8.313 206 H LEU 24 H LEU 24 -13.539 4.428 5.944 207 HA LEU 24 HA LEU 24 -11.278 6.117 6.309 208 1HB LEU 24 2HB LEU 24 -11.157 3.857 7.079 209 2HB LEU 24 1HB LEU 24 -11.570 3.228 5.497 210 HG LEU 24 HG LEU 24 -9.130 3.050 6.283 211 1HD1 LEU 24 1HD1 LEU 24 -9.131 4.382 3.656 212 2HD1 LEU 24 2HD1 LEU 24 -10.253 3.035 3.845 213 3HD1 LEU 24 3HD1 LEU 24 -8.529 2.792 4.129 214 1HD2 LEU 24 1HD2 LEU 24 -8.612 5.696 5.124 215 2HD2 LEU 24 2HD2 LEU 24 -7.825 4.868 6.467 216 3HD2 LEU 24 3HD2 LEU 24 -9.350 5.715 6.725 217 H GLU 25 H GLU 25 -12.787 4.597 3.497 218 HA GLU 25 HA GLU 25 -10.805 5.151 1.607 219 1HB GLU 25 2HB GLU 25 -12.901 3.731 1.319 220 2HB GLU 25 1HB GLU 25 -13.767 5.236 1.041 221 1HG GLU 25 2HG GLU 25 -11.340 4.798 -0.578 222 2HG GLU 25 1HG GLU 25 -12.720 3.754 -0.918 223 H ARG 26 H ARG 26 -13.441 7.133 2.843 224 HA ARG 26 HA ARG 26 -13.258 9.274 1.061 225 1HB ARG 26 2HB ARG 26 -15.110 9.014 2.638 226 2HB ARG 26 1HB ARG 26 -14.019 9.297 3.988 227 1HG ARG 26 2HG ARG 26 -13.698 11.497 2.288 228 2HG ARG 26 1HG ARG 26 -15.433 11.186 2.350 229 1HD ARG 26 2HD ARG 26 -15.590 11.876 4.475 230 2HD ARG 26 1HD ARG 26 -14.133 11.009 4.957 231 HE ARG 26 HE ARG 26 -13.614 13.380 3.417 232 1HH1 ARG 26 1HH1 ARG 26 -14.181 12.114 6.619 233 2HH1 ARG 26 2HH1 ARG 26 -13.375 13.424 7.415 234 1HH2 ARG 26 1HH2 ARG 26 -12.552 15.103 4.462 235 2HH2 ARG 26 2HH2 ARG 26 -12.451 15.121 6.191 236 H VAL 27 H VAL 27 -11.372 8.488 3.927 237 HA VAL 27 HA VAL 27 -10.017 11.015 3.959 238 HB VAL 27 HB VAL 27 -10.372 9.535 5.992 239 1HG1 VAL 27 1HG1 VAL 27 -8.631 7.791 4.453 240 2HG1 VAL 27 2HG1 VAL 27 -9.636 7.443 5.857 241 3HG1 VAL 27 3HG1 VAL 27 -8.017 8.105 6.076 242 1HG2 VAL 27 1HG2 VAL 27 -7.778 10.003 6.616 243 2HG2 VAL 27 2HG2 VAL 27 -9.040 11.235 6.607 244 3HG2 VAL 27 3HG2 VAL 27 -7.981 11.047 5.209 245 H ILE 28 H ILE 28 -9.537 7.950 2.410 246 HA ILE 28 HA ILE 28 -6.787 8.066 1.893 247 HB ILE 28 HB ILE 28 -8.915 6.932 0.069 248 1HG1 ILE 28 2HG1 ILE 28 -7.409 5.661 2.366 249 2HG1 ILE 28 1HG1 ILE 28 -9.136 5.983 2.295 250 1HG2 ILE 28 1HG2 ILE 28 -6.652 7.241 -0.921 251 2HG2 ILE 28 2HG2 ILE 28 -7.179 5.560 -0.852 252 3HG2 ILE 28 3HG2 ILE 28 -6.011 6.165 0.321 253 1HD1 ILE 28 1HD1 ILE 28 -9.173 3.793 1.751 254 2HD1 ILE 28 2HD1 ILE 28 -7.556 3.824 1.050 255 3HD1 ILE 28 3HD1 ILE 28 -8.926 4.451 0.134 256 H GLU 29 H GLU 29 -9.542 9.493 0.230 257 HA GLU 29 HA GLU 29 -8.000 10.530 -1.950 258 1HB GLU 29 2HB GLU 29 -10.806 10.619 -1.060 259 2HB GLU 29 1HB GLU 29 -10.268 12.050 -1.929 260 1HG GLU 29 2HG GLU 29 -10.646 10.968 -3.817 261 2HG GLU 29 1HG GLU 29 -9.312 9.890 -3.411 262 H LYS 30 H LYS 30 -9.323 11.878 1.047 263 HA LYS 30 HA LYS 30 -8.495 14.538 0.583 264 1HB LYS 30 2HB LYS 30 -9.577 12.986 2.831 265 2HB LYS 30 1HB LYS 30 -8.546 14.326 3.314 266 1HG LYS 30 2HG LYS 30 -10.724 14.762 1.319 267 2HG LYS 30 1HG LYS 30 -11.094 14.693 3.043 268 1HD LYS 30 2HD LYS 30 -10.231 16.725 3.415 269 2HD LYS 30 1HD LYS 30 -8.801 16.388 2.437 270 1HE LYS 30 2HE LYS 30 -9.970 18.198 1.413 271 2HE LYS 30 1HE LYS 30 -10.200 16.771 0.403 272 1HZ LYS 30 1HZ LYS 30 -12.260 18.002 0.695 273 2HZ LYS 30 2HZ LYS 30 -12.159 17.821 2.373 274 3HZ LYS 30 3HZ LYS 30 -12.381 16.463 1.390 275 H ASN 31 H ASN 31 -7.004 11.887 2.428 276 HA ASN 31 HA ASN 31 -4.729 13.380 3.225 277 1HB ASN 31 2HB ASN 31 -5.579 10.550 3.331 278 2HB ASN 31 1HB ASN 31 -3.841 10.827 3.355 279 1HD2 ASN 31 1HD2 ASN 31 -2.931 11.280 5.229 280 2HD2 ASN 31 2HD2 ASN 31 -3.762 11.758 6.666 281 H LYS 32 H LYS 32 -5.496 11.470 0.401 282 HA LYS 32 HA LYS 32 -2.911 11.086 -0.607 283 1HB LYS 32 2HB LYS 32 -5.656 10.977 -1.670 284 2HB LYS 32 1HB LYS 32 -4.413 11.299 -2.871 285 1HG LYS 32 2HG LYS 32 -3.600 9.156 -1.133 286 2HG LYS 32 1HG LYS 32 -5.184 8.824 -1.836 287 1HD LYS 32 2HD LYS 32 -2.855 9.748 -3.497 288 2HD LYS 32 1HD LYS 32 -3.143 8.042 -3.149 289 1HE LYS 32 2HE LYS 32 -5.123 9.902 -4.460 290 2HE LYS 32 1HE LYS 32 -4.084 8.765 -5.319 291 1HZ LYS 32 1HZ LYS 32 -6.234 8.108 -3.381 292 2HZ LYS 32 2HZ LYS 32 -5.145 6.970 -4.000 293 3HZ LYS 32 3HZ LYS 32 -6.212 7.772 -5.039 294 H TYR 33 H TYR 33 -5.114 13.817 -0.845 295 HA TYR 33 HA TYR 33 -3.204 15.247 -2.541 296 1HB TYR 33 2HB TYR 33 -5.989 15.160 -2.503 297 2HB TYR 33 1HB TYR 33 -5.595 16.738 -1.831 298 HD1 TYR 33 1HD TYR 33 -5.432 18.483 -3.324 299 HD2 TYR 33 2HD TYR 33 -4.505 14.555 -4.669 300 HE1 TYR 33 1HE TYR 33 -5.053 19.357 -5.591 301 HE2 TYR 33 2HE TYR 33 -4.122 15.419 -6.940 302 HH TYR 33 HH TYR 33 -4.697 17.304 -8.316 303 H GLU 34 H GLU 34 -4.317 15.097 0.719 304 HA GLU 34 HA GLU 34 -3.827 17.693 1.601 305 1HB GLU 34 2HB GLU 34 -4.480 15.228 2.773 306 2HB GLU 34 1HB GLU 34 -3.018 15.760 3.589 307 1HG GLU 34 2HG GLU 34 -4.344 18.039 3.714 308 2HG GLU 34 1HG GLU 34 -5.730 16.960 3.568 309 H LEU 35 H LEU 35 -1.624 14.960 2.256 310 HA LEU 35 HA LEU 35 0.573 16.709 2.717 311 1HB LEU 35 2HB LEU 35 1.846 14.823 3.195 312 2HB LEU 35 1HB LEU 35 0.247 14.414 3.731 313 HG LEU 35 HG LEU 35 1.957 13.071 1.823 314 1HD1 LEU 35 1HD1 LEU 35 0.936 11.226 2.642 315 2HD1 LEU 35 2HD1 LEU 35 -0.644 11.998 2.739 316 3HD1 LEU 35 3HD1 LEU 35 0.588 12.353 3.948 317 1HD2 LEU 35 1HD2 LEU 35 0.797 13.674 -0.036 318 2HD2 LEU 35 2HD2 LEU 35 -0.692 13.998 0.852 319 3HD2 LEU 35 3HD2 LEU 35 -0.213 12.338 0.511 320 H SER 36 H SER 36 2.611 15.156 1.454 321 HA SER 36 HA SER 36 2.267 16.004 -1.343 322 1HB SER 36 2HB SER 36 4.898 15.913 0.142 323 2HB SER 36 1HB SER 36 4.571 16.646 -1.428 324 HG SER 36 HG SER 36 3.848 18.374 -0.462 325 H ASP 37 H ASP 37 4.249 14.880 -2.623 326 HA ASP 37 HA ASP 37 3.568 12.173 -2.819 327 1HB ASP 37 2HB ASP 37 4.943 13.903 -4.392 328 2HB ASP 37 1HB ASP 37 6.268 12.931 -3.758 329 H ASN 38 H ASN 38 5.852 13.810 -0.788 330 HA ASN 38 HA ASN 38 7.494 11.557 -0.228 331 1HB ASN 38 2HB ASN 38 8.174 13.953 0.054 332 2HB ASN 38 1HB ASN 38 7.134 14.020 1.475 333 1HD2 ASN 38 1HD2 ASN 38 10.174 14.015 0.799 334 2HD2 ASN 38 2HD2 ASN 38 10.826 12.983 2.022 335 H GLU 39 H GLU 39 4.840 13.100 1.622 336 HA GLU 39 HA GLU 39 4.999 11.039 3.633 337 1HB GLU 39 2HB GLU 39 2.542 12.602 3.674 338 2HB GLU 39 1HB GLU 39 3.758 12.394 4.916 339 1HG GLU 39 2HG GLU 39 3.823 14.358 2.640 340 2HG GLU 39 1HG GLU 39 3.555 14.716 4.344 341 H LEU 40 H LEU 40 3.156 11.682 0.760 342 HA LEU 40 HA LEU 40 0.981 9.979 1.152 343 1HB LEU 40 2HB LEU 40 1.178 11.586 -0.682 344 2HB LEU 40 1HB LEU 40 2.420 10.599 -1.424 345 HG LEU 40 HG LEU 40 -0.143 9.232 -0.891 346 1HD1 LEU 40 1HD1 LEU 40 -1.210 11.154 -1.621 347 2HD1 LEU 40 2HD1 LEU 40 -0.985 10.243 -3.115 348 3HD1 LEU 40 3HD1 LEU 40 0.095 11.581 -2.727 349 1HD2 LEU 40 1HD2 LEU 40 2.090 8.595 -2.242 350 2HD2 LEU 40 2HD2 LEU 40 1.134 9.289 -3.552 351 3HD2 LEU 40 3HD2 LEU 40 0.502 7.930 -2.621 352 H ALA 41 H ALA 41 4.278 9.298 0.136 353 HA ALA 41 HA ALA 41 3.946 6.687 -0.795 354 1HB ALA 41 1HB ALA 41 6.286 6.367 -0.363 355 2HB ALA 41 2HB ALA 41 6.303 7.694 0.798 356 3HB ALA 41 3HB ALA 41 6.056 8.026 -0.917 357 H VAL 42 H VAL 42 3.987 8.042 2.399 358 HA VAL 42 HA VAL 42 4.157 5.542 3.797 359 HB VAL 42 HB VAL 42 3.243 8.238 4.823 360 1HG1 VAL 42 1HG1 VAL 42 4.538 6.523 6.741 361 2HG1 VAL 42 2HG1 VAL 42 3.141 5.718 6.028 362 3HG1 VAL 42 3HG1 VAL 42 2.950 7.287 6.810 363 1HG2 VAL 42 1HG2 VAL 42 5.956 7.035 4.470 364 2HG2 VAL 42 2HG2 VAL 42 5.654 8.156 5.797 365 3HG2 VAL 42 3HG2 VAL 42 5.402 8.674 4.131 366 H PHE 43 H PHE 43 1.610 7.678 2.615 367 HA PHE 43 HA PHE 43 -0.488 6.331 4.040 368 1HB PHE 43 2HB PHE 43 -0.479 8.747 3.114 369 2HB PHE 43 1HB PHE 43 -0.914 8.003 1.579 370 HD1 PHE 43 1HD PHE 43 -3.010 6.607 1.467 371 HD2 PHE 43 2HD PHE 43 -2.087 9.125 4.770 372 HE1 PHE 43 1HE PHE 43 -5.372 6.565 2.156 373 HE2 PHE 43 2HE PHE 43 -4.447 9.088 5.465 374 HZ PHE 43 HZ PHE 43 -6.093 7.806 4.157 375 H TYR 44 H TYR 44 0.761 6.244 0.726 376 HA TYR 44 HA TYR 44 -1.151 4.487 -0.337 377 1HB TYR 44 2HB TYR 44 0.960 5.865 -1.363 378 2HB TYR 44 1HB TYR 44 1.595 4.222 -1.387 379 HD1 TYR 44 1HD TYR 44 -1.087 6.419 -2.648 380 HD2 TYR 44 2HD TYR 44 0.773 2.604 -2.941 381 HE1 TYR 44 1HE TYR 44 -2.331 5.978 -4.722 382 HE2 TYR 44 2HE TYR 44 -0.465 2.153 -5.016 383 HH TYR 44 HH TYR 44 -2.207 4.591 -6.684 384 H SER 45 H SER 45 1.944 3.880 1.268 385 HA SER 45 HA SER 45 2.086 1.120 0.865 386 1HB SER 45 2HB SER 45 3.529 1.116 2.919 387 2HB SER 45 1HB SER 45 3.997 2.321 1.720 388 HG SER 45 HG SER 45 2.545 2.738 4.118 389 H ALA 46 H ALA 46 0.597 2.971 3.503 390 HA ALA 46 HA ALA 46 -0.230 0.802 5.067 391 1HB ALA 46 1HB ALA 46 -1.489 3.528 4.773 392 2HB ALA 46 2HB ALA 46 -0.231 3.069 5.921 393 3HB ALA 46 3HB ALA 46 -1.847 2.375 6.058 394 H ALA 47 H ALA 47 -1.583 2.211 2.179 395 HA ALA 47 HA ALA 47 -4.189 1.177 2.341 396 1HB ALA 47 1HB ALA 47 -4.478 2.045 0.278 397 2HB ALA 47 2HB ALA 47 -2.981 1.350 -0.343 398 3HB ALA 47 3HB ALA 47 -2.935 2.824 0.623 399 H ASP 48 H ASP 48 -1.254 -0.147 0.833 400 HA ASP 48 HA ASP 48 -2.362 -2.458 -0.252 401 1HB ASP 48 2HB ASP 48 0.359 -1.605 0.571 402 2HB ASP 48 1HB ASP 48 0.107 -3.335 0.356 403 H HIS 49 H HIS 49 -0.892 -1.973 2.949 404 HA HIS 49 HA HIS 49 -1.216 -4.592 3.889 405 1HB HIS 49 2HB HIS 49 0.225 -3.016 5.038 406 2HB HIS 49 1HB HIS 49 -1.142 -1.967 5.394 407 HD1 HIS 49 1HD HIS 49 -0.790 -5.712 5.968 408 HD2 HIS 49 2HD HIS 49 -1.420 -2.188 8.079 409 HE1 HIS 49 1HE HIS 49 -1.193 -6.416 8.348 410 HE2 HIS 49 2HE HIS 49 -1.483 -4.263 9.622 411 H ARG 50 H ARG 50 -3.347 -1.764 4.147 412 HA ARG 50 HA ARG 50 -5.350 -3.022 5.686 413 1HB ARG 50 2HB ARG 50 -4.992 -0.511 5.198 414 2HB ARG 50 1HB ARG 50 -5.900 -0.811 3.722 415 1HG ARG 50 2HG ARG 50 -7.647 -0.238 5.012 416 2HG ARG 50 1HG ARG 50 -7.559 -1.928 5.516 417 1HD ARG 50 2HD ARG 50 -6.715 -1.416 7.565 418 2HD ARG 50 1HD ARG 50 -5.857 0.007 6.975 419 HE ARG 50 HE ARG 50 -7.698 1.282 7.458 420 1HH1 ARG 50 1HH1 ARG 50 -8.596 -2.089 7.544 421 2HH1 ARG 50 2HH1 ARG 50 -10.168 -1.782 8.203 422 1HH2 ARG 50 1HH2 ARG 50 -9.764 1.687 8.325 423 2HH2 ARG 50 2HH2 ARG 50 -10.831 0.362 8.646 424 H LEU 51 H LEU 51 -5.050 -2.487 2.185 425 HA LEU 51 HA LEU 51 -7.463 -3.702 1.436 426 1HB LEU 51 2HB LEU 51 -5.241 -2.545 0.142 427 2HB LEU 51 1HB LEU 51 -5.416 -4.152 -0.537 428 HG LEU 51 HG LEU 51 -8.006 -3.186 -0.556 429 1HD1 LEU 51 1HD1 LEU 51 -7.395 -0.993 -1.948 430 2HD1 LEU 51 2HD1 LEU 51 -6.083 -0.951 -0.771 431 3HD1 LEU 51 3HD1 LEU 51 -7.758 -0.961 -0.223 432 1HD2 LEU 51 1HD2 LEU 51 -7.494 -4.300 -2.452 433 2HD2 LEU 51 2HD2 LEU 51 -5.854 -3.655 -2.519 434 3HD2 LEU 51 3HD2 LEU 51 -7.211 -2.673 -3.069 435 H ALA 52 H ALA 52 -4.345 -5.029 2.251 436 HA ALA 52 HA ALA 52 -4.603 -7.596 1.149 437 1HB ALA 52 1HB ALA 52 -2.529 -6.542 2.122 438 2HB ALA 52 2HB ALA 52 -2.807 -8.228 2.551 439 3HB ALA 52 3HB ALA 52 -3.168 -6.953 3.713 440 H GLU 53 H GLU 53 -5.320 -6.444 4.439 441 HA GLU 53 HA GLU 53 -6.308 -8.894 5.409 442 1HB GLU 53 2HB GLU 53 -5.582 -7.222 6.946 443 2HB GLU 53 1HB GLU 53 -6.730 -6.050 6.315 444 1HG GLU 53 2HG GLU 53 -8.113 -8.395 7.218 445 2HG GLU 53 1HG GLU 53 -7.058 -7.782 8.489 446 H LEU 54 H LEU 54 -7.807 -6.379 3.534 447 HA LEU 54 HA LEU 54 -10.494 -7.174 4.133 448 1HB LEU 54 2HB LEU 54 -9.221 -5.270 2.217 449 2HB LEU 54 1HB LEU 54 -10.906 -5.706 2.011 450 HG LEU 54 HG LEU 54 -10.048 -4.779 4.704 451 1HD1 LEU 54 1HD1 LEU 54 -10.780 -2.439 3.524 452 2HD1 LEU 54 2HD1 LEU 54 -9.813 -3.189 2.257 453 3HD1 LEU 54 3HD1 LEU 54 -9.119 -2.926 3.856 454 1HD2 LEU 54 1HD2 LEU 54 -12.262 -4.011 4.857 455 2HD2 LEU 54 2HD2 LEU 54 -12.375 -5.560 4.023 456 3HD2 LEU 54 3HD2 LEU 54 -12.489 -4.057 3.109 457 H THR 55 H THR 55 -8.201 -7.839 1.538 458 HA THR 55 HA THR 55 -10.173 -9.210 -0.051 459 HB THR 55 HB THR 55 -7.185 -9.211 -0.443 460 HG1 THR 55 1HG THR 55 -7.344 -7.214 -1.010 461 1HG2 THR 55 1HG2 THR 55 -8.985 -9.104 -2.747 462 2HG2 THR 55 2HG2 THR 55 -9.040 -10.611 -1.830 463 3HG2 THR 55 3HG2 THR 55 -7.510 -10.035 -2.493 464 H MET 56 H MET 56 -7.378 -10.247 1.922 465 HA MET 56 HA MET 56 -8.311 -13.014 1.538 466 1HB MET 56 2HB MET 56 -5.741 -11.872 1.272 467 2HB MET 56 1HB MET 56 -5.686 -12.925 2.678 468 1HG MET 56 2HG MET 56 -7.051 -14.387 0.744 469 2HG MET 56 1HG MET 56 -5.739 -13.592 -0.124 470 1HE MET 56 1HE MET 56 -3.649 -13.156 1.723 471 2HE MET 56 2HE MET 56 -2.888 -14.281 0.598 472 3HE MET 56 3HE MET 56 -2.781 -14.563 2.336 473 H ASN 57 H ASN 57 -8.622 -10.682 3.789 474 HA ASN 57 HA ASN 57 -9.158 -10.703 6.010 475 1HB ASN 57 2HB ASN 57 -10.237 -12.989 5.062 476 2HB ASN 57 1HB ASN 57 -9.112 -13.657 6.241 477 1HD2 ASN 57 1HD2 ASN 57 -9.496 -13.393 8.393 478 2HD2 ASN 57 2HD2 ASN 57 -10.949 -12.703 9.025 479 H LYS 58 H LYS 58 -7.833 -10.294 7.661 480 HA LYS 58 HA LYS 58 -5.911 -10.193 8.882 481 1HB LYS 58 2HB LYS 58 -6.292 -13.176 8.642 482 2HB LYS 58 1HB LYS 58 -5.081 -12.446 9.685 483 1HG LYS 58 2HG LYS 58 -8.062 -12.375 9.925 484 2HG LYS 58 1HG LYS 58 -6.862 -12.888 11.109 485 1HD LYS 58 2HD LYS 58 -7.540 -10.084 10.245 486 2HD LYS 58 1HD LYS 58 -7.695 -10.794 11.852 487 1HE LYS 58 2HE LYS 58 -5.004 -11.102 11.155 488 2HE LYS 58 1HE LYS 58 -5.439 -9.476 10.631 489 1HZ LYS 58 1HZ LYS 58 -5.721 -10.610 13.360 490 2HZ LYS 58 2HZ LYS 58 -6.350 -9.111 12.893 491 3HZ LYS 58 3HZ LYS 58 -4.679 -9.369 12.871 492 H LEU 59 H LEU 59 -4.642 -9.190 7.305 493 HA LEU 59 HA LEU 59 -2.714 -10.965 5.980 494 1HB LEU 59 2HB LEU 59 -4.196 -8.605 5.005 495 2HB LEU 59 1HB LEU 59 -2.533 -8.761 4.482 496 HG LEU 59 HG LEU 59 -4.044 -9.749 2.843 497 1HD1 LEU 59 1HD1 LEU 59 -3.080 -12.281 3.508 498 2HD1 LEU 59 2HD1 LEU 59 -1.906 -11.142 4.163 499 3HD1 LEU 59 3HD1 LEU 59 -2.326 -11.089 2.452 500 1HD2 LEU 59 1HD2 LEU 59 -5.455 -10.616 5.101 501 2HD2 LEU 59 2HD2 LEU 59 -4.853 -12.080 4.323 502 3HD2 LEU 59 3HD2 LEU 59 -5.836 -10.939 3.410 503 H TYR 60 H TYR 60 -0.571 -10.337 5.874 504 HA TYR 60 HA TYR 60 0.328 -8.797 8.138 505 1HB TYR 60 2HB TYR 60 1.690 -10.439 6.017 506 2HB TYR 60 1HB TYR 60 2.606 -9.494 7.181 507 HD1 TYR 60 1HD TYR 60 -0.061 -12.082 6.995 508 HD2 TYR 60 2HD TYR 60 3.184 -10.468 9.223 509 HE1 TYR 60 1HE TYR 60 -0.243 -13.942 8.597 510 HE2 TYR 60 2HE TYR 60 3.013 -12.323 10.830 511 HH TYR 60 HH TYR 60 0.405 -14.277 11.111 512 H ASP 61 H ASP 61 2.042 -7.176 7.957 513 HA ASP 61 HA ASP 61 1.329 -5.063 6.257 514 1HB ASP 61 2HB ASP 61 3.538 -4.066 7.028 515 2HB ASP 61 1HB ASP 61 2.401 -4.511 8.297 516 H LYS 62 H LYS 62 3.286 -7.810 5.655 517 HA LYS 62 HA LYS 62 4.204 -6.576 3.146 518 1HB LYS 62 2HB LYS 62 5.780 -7.849 5.260 519 2HB LYS 62 1HB LYS 62 6.106 -8.497 3.658 520 1HG LYS 62 2HG LYS 62 7.230 -6.679 3.037 521 2HG LYS 62 1HG LYS 62 6.002 -5.593 3.689 522 1HD LYS 62 2HD LYS 62 7.687 -7.022 5.657 523 2HD LYS 62 1HD LYS 62 8.482 -5.777 4.692 524 1HE LYS 62 2HE LYS 62 5.857 -5.122 5.914 525 2HE LYS 62 1HE LYS 62 7.258 -5.224 6.980 526 1HZ LYS 62 1HZ LYS 62 6.559 -3.020 5.666 527 2HZ LYS 62 2HZ LYS 62 7.635 -3.689 4.546 528 3HZ LYS 62 3HZ LYS 62 8.152 -3.364 6.123 529 H ILE 63 H ILE 63 2.251 -7.573 2.275 530 HA ILE 63 HA ILE 63 1.888 -10.384 2.266 531 HB ILE 63 HB ILE 63 0.655 -8.072 0.882 532 1HG1 ILE 63 2HG1 ILE 63 -1.389 -9.088 1.656 533 2HG1 ILE 63 1HG1 ILE 63 -0.553 -10.597 2.020 534 1HG2 ILE 63 1HG2 ILE 63 0.767 -10.800 -0.337 535 2HG2 ILE 63 2HG2 ILE 63 0.892 -9.221 -1.112 536 3HG2 ILE 63 3HG2 ILE 63 -0.670 -9.798 -0.531 537 1HD1 ILE 63 1HD1 ILE 63 -0.800 -9.640 4.098 538 2HD1 ILE 63 2HD1 ILE 63 -0.514 -8.010 3.496 539 3HD1 ILE 63 3HD1 ILE 63 0.832 -9.140 3.661 540 HA PRO 64 HA PRO 64 5.011 -11.633 -0.634 541 1HB PRO 64 2HB PRO 64 3.072 -13.746 -1.398 542 2HB PRO 64 1HB PRO 64 4.738 -13.899 -0.825 543 1HG PRO 64 2HG PRO 64 2.686 -14.505 0.765 544 2HG PRO 64 1HG PRO 64 4.130 -13.696 1.403 545 1HD PRO 64 2HD PRO 64 1.445 -12.547 0.741 546 2HD PRO 64 1HD PRO 64 2.524 -12.185 2.109 547 H SER 65 H SER 65 4.462 -12.985 -3.033 548 HA SER 65 HA SER 65 3.344 -10.783 -4.611 549 1HB SER 65 2HB SER 65 5.705 -11.822 -4.981 550 2HB SER 65 1HB SER 65 4.824 -13.119 -5.785 551 HG SER 65 HG SER 65 4.462 -10.391 -6.442 552 H SER 66 H SER 66 2.973 -14.214 -3.979 553 HA SER 66 HA SER 66 1.222 -14.865 -6.063 554 1HB SER 66 2HB SER 66 1.846 -16.022 -3.388 555 2HB SER 66 1HB SER 66 0.376 -16.570 -4.194 556 HG SER 66 HG SER 66 2.910 -16.533 -5.457 557 H VAL 67 H VAL 67 0.550 -13.701 -2.777 558 HA VAL 67 HA VAL 67 -2.251 -13.779 -2.933 559 HB VAL 67 HB VAL 67 -0.631 -11.790 -1.344 560 1HG1 VAL 67 1HG1 VAL 67 -2.547 -11.956 0.225 561 2HG1 VAL 67 2HG1 VAL 67 -3.385 -12.952 -0.965 562 3HG1 VAL 67 3HG1 VAL 67 -2.978 -11.278 -1.346 563 1HG2 VAL 67 1HG2 VAL 67 -1.264 -14.675 -0.790 564 2HG2 VAL 67 2HG2 VAL 67 -0.849 -13.533 0.488 565 3HG2 VAL 67 3HG2 VAL 67 0.311 -13.879 -0.796 566 H TRP 68 H TRP 68 0.044 -11.170 -3.644 567 HA TRP 68 HA TRP 68 -1.914 -9.245 -4.320 568 1HB TRP 68 2HB TRP 68 0.989 -9.430 -4.331 569 2HB TRP 68 1HB TRP 68 0.376 -8.519 -5.710 570 HD1 TRP 68 HD TRP 68 1.379 -6.252 -4.662 571 HE1 TRP 68 1HE TRP 68 0.495 -4.695 -2.814 572 HE3 TRP 68 3HE TRP 68 -2.040 -9.392 -2.493 573 HZ2 TRP 68 2HZ TRP 68 -1.399 -4.781 -0.725 574 HZ3 TRP 68 3HZ TRP 68 -3.341 -8.570 -0.580 575 HH2 TRP 68 HH TRP 68 -3.026 -6.311 0.286 576 H LYS 69 H LYS 69 -0.556 -11.891 -6.062 577 HA LYS 69 HA LYS 69 -1.162 -10.904 -8.676 578 1HB LYS 69 2HB LYS 69 0.464 -12.811 -7.976 579 2HB LYS 69 1HB LYS 69 -0.975 -13.823 -7.985 580 1HG LYS 69 2HG LYS 69 -0.603 -12.180 -10.388 581 2HG LYS 69 1HG LYS 69 0.631 -13.413 -10.120 582 1HD LYS 69 2HD LYS 69 -1.674 -14.786 -9.594 583 2HD LYS 69 1HD LYS 69 -2.181 -13.696 -10.886 584 1HE LYS 69 2HE LYS 69 0.217 -14.579 -11.824 585 2HE LYS 69 1HE LYS 69 -0.363 -15.999 -10.956 586 1HZ LYS 69 1HZ LYS 69 -2.374 -15.964 -12.245 587 2HZ LYS 69 2HZ LYS 69 -1.050 -15.959 -13.298 588 3HZ LYS 69 3HZ LYS 69 -1.914 -14.532 -13.021 589 H PHE 70 H PHE 70 -2.894 -12.575 -6.172 590 HA PHE 70 HA PHE 70 -5.068 -13.452 -7.816 591 1HB PHE 70 2HB PHE 70 -4.247 -14.362 -5.510 592 2HB PHE 70 1HB PHE 70 -5.282 -13.101 -4.847 593 HD1 PHE 70 1HD PHE 70 -5.557 -15.625 -7.589 594 HD2 PHE 70 2HD PHE 70 -7.312 -13.865 -4.135 595 HE1 PHE 70 1HE PHE 70 -7.508 -17.105 -7.831 596 HE2 PHE 70 2HE PHE 70 -9.265 -15.342 -4.370 597 HZ PHE 70 HZ PHE 70 -9.365 -16.964 -6.219 598 H ILE 71 H ILE 71 -4.701 -10.841 -5.404 599 HA ILE 71 HA ILE 71 -7.178 -9.761 -5.339 600 HB ILE 71 HB ILE 71 -6.054 -7.465 -5.212 601 1HG1 ILE 71 2HG1 ILE 71 -3.616 -9.237 -5.319 602 2HG1 ILE 71 1HG1 ILE 71 -4.070 -8.048 -6.534 603 1HG2 ILE 71 1HG2 ILE 71 -4.851 -8.193 -3.028 604 2HG2 ILE 71 2HG2 ILE 71 -5.525 -9.782 -3.398 605 3HG2 ILE 71 3HG2 ILE 71 -6.596 -8.400 -3.170 606 1HD1 ILE 71 1HD1 ILE 71 -3.524 -7.311 -3.677 607 2HD1 ILE 71 2HD1 ILE 71 -3.620 -6.252 -5.083 608 3HD1 ILE 71 3HD1 ILE 71 -2.266 -7.368 -4.911 609 H ARG 72 H ARG 72 -8.589 -8.925 -6.718 610 HA ARG 72 HA ARG 72 -7.897 -8.601 -9.487 611 1HB ARG 72 2HB ARG 72 -10.493 -7.946 -8.082 612 2HB ARG 72 1HB ARG 72 -10.260 -8.115 -9.816 613 1HG ARG 72 2HG ARG 72 -10.365 -10.352 -9.742 614 2HG ARG 72 1HG ARG 72 -9.436 -10.448 -8.246 615 1HD ARG 72 2HD ARG 72 -11.383 -9.890 -6.944 616 2HD ARG 72 1HD ARG 72 -12.326 -9.605 -8.406 617 HE ARG 72 HE ARG 72 -11.516 -12.177 -8.669 618 1HH1 ARG 72 1HH1 ARG 72 -13.157 -10.423 -6.136 619 2HH1 ARG 72 2HH1 ARG 72 -14.035 -11.806 -5.576 620 1HH2 ARG 72 1HH2 ARG 72 -12.670 -13.998 -7.932 621 2HH2 ARG 72 2HH2 ARG 72 -13.759 -13.836 -6.595 Start of MODEL 3 1 1H MET 1 1HT MET 1 8.831 3.957 12.799 2 2H MET 1 2HT MET 1 7.846 3.239 14.008 3 3H MET 1 3HT MET 1 9.397 2.588 13.662 4 HA MET 1 HA MET 1 9.712 3.746 15.582 5 1HB MET 1 2HB MET 1 10.363 5.628 13.303 6 2HB MET 1 1HB MET 1 11.129 5.623 14.886 7 1HG MET 1 2HG MET 1 11.192 3.234 13.078 8 2HG MET 1 1HG MET 1 12.386 4.527 12.975 9 1HE MET 1 1HE MET 1 14.550 1.977 14.343 10 2HE MET 1 2HE MET 1 13.393 2.113 13.019 11 3HE MET 1 3HE MET 1 13.083 0.996 14.348 12 H SER 2 H SER 2 9.264 5.452 17.003 13 HA SER 2 HA SER 2 6.817 6.936 16.346 14 1HB SER 2 2HB SER 2 8.049 6.352 19.050 15 2HB SER 2 1HB SER 2 6.516 7.178 18.774 16 HG SER 2 HG SER 2 7.028 4.572 17.801 17 H GLU 3 H GLU 3 7.469 8.792 15.388 18 HA GLU 3 HA GLU 3 9.103 10.603 17.020 19 1HB GLU 3 2HB GLU 3 10.170 11.425 14.886 20 2HB GLU 3 1HB GLU 3 10.664 9.819 15.404 21 1HG GLU 3 2HG GLU 3 9.099 8.835 13.791 22 2HG GLU 3 1HG GLU 3 8.658 10.454 13.252 23 H LYS 4 H LYS 4 9.071 12.864 15.668 24 HA LYS 4 HA LYS 4 6.552 13.939 16.031 25 1HB LYS 4 2HB LYS 4 9.084 14.823 14.954 26 2HB LYS 4 1HB LYS 4 7.751 15.509 14.036 27 1HG LYS 4 2HG LYS 4 6.971 15.831 16.669 28 2HG LYS 4 1HG LYS 4 8.706 16.156 16.693 29 1HD LYS 4 2HD LYS 4 7.929 18.243 16.174 30 2HD LYS 4 1HD LYS 4 8.108 17.581 14.548 31 1HE LYS 4 2HE LYS 4 5.782 17.115 14.395 32 2HE LYS 4 1HE LYS 4 5.538 17.446 16.109 33 1HZ LYS 4 1HZ LYS 4 4.883 19.431 15.311 34 2HZ LYS 4 2HZ LYS 4 5.770 19.292 13.878 35 3HZ LYS 4 3HZ LYS 4 6.541 19.768 15.307 36 HA PRO 5 HA PRO 5 5.726 13.728 11.247 37 1HB PRO 5 2HB PRO 5 7.334 11.977 9.865 38 2HB PRO 5 1HB PRO 5 7.616 13.719 9.964 39 1HG PRO 5 2HG PRO 5 8.871 11.503 11.533 40 2HG PRO 5 1HG PRO 5 9.622 12.953 10.841 41 1HD PRO 5 2HD PRO 5 9.031 12.781 13.454 42 2HD PRO 5 1HD PRO 5 8.887 14.311 12.566 43 H LEU 6 H LEU 6 5.388 11.592 9.645 44 HA LEU 6 HA LEU 6 4.273 9.533 11.436 45 1HB LEU 6 2HB LEU 6 3.210 10.667 8.856 46 2HB LEU 6 1HB LEU 6 2.620 9.162 9.535 47 HG LEU 6 HG LEU 6 1.177 11.115 10.044 48 1HD1 LEU 6 1HD1 LEU 6 0.932 9.301 11.509 49 2HD1 LEU 6 2HD1 LEU 6 1.132 10.706 12.554 50 3HD1 LEU 6 3HD1 LEU 6 2.484 9.607 12.286 51 1HD2 LEU 6 1HD2 LEU 6 3.349 12.575 10.341 52 2HD2 LEU 6 2HD2 LEU 6 3.180 12.073 12.023 53 3HD2 LEU 6 3HD2 LEU 6 1.869 12.944 11.227 54 H THR 7 H THR 7 5.215 7.621 11.256 55 HA THR 7 HA THR 7 6.890 7.027 8.964 56 HB THR 7 HB THR 7 7.030 4.788 10.481 57 HG1 THR 7 1HG THR 7 6.647 6.852 12.372 58 1HG2 THR 7 1HG2 THR 7 8.898 5.956 11.758 59 2HG2 THR 7 2HG2 THR 7 8.509 7.372 10.782 60 3HG2 THR 7 3HG2 THR 7 9.030 5.878 10.001 61 H LYS 8 H LYS 8 6.792 4.510 8.391 62 HA LYS 8 HA LYS 8 4.494 4.148 6.850 63 1HB LYS 8 2HB LYS 8 6.698 2.308 7.723 64 2HB LYS 8 1HB LYS 8 5.338 1.693 6.794 65 1HG LYS 8 2HG LYS 8 6.520 2.239 4.991 66 2HG LYS 8 1HG LYS 8 6.098 3.910 5.364 67 1HD LYS 8 2HD LYS 8 8.188 3.794 6.921 68 2HD LYS 8 1HD LYS 8 8.638 2.429 5.897 69 1HE LYS 8 2HE LYS 8 9.569 3.975 4.572 70 2HE LYS 8 1HE LYS 8 7.918 4.309 4.053 71 1HZ LYS 8 1HZ LYS 8 8.984 6.349 4.657 72 2HZ LYS 8 2HZ LYS 8 9.433 5.737 6.168 73 3HZ LYS 8 3HZ LYS 8 7.801 6.008 5.817 74 H THR 9 H THR 9 5.274 3.065 10.092 75 HA THR 9 HA THR 9 2.977 1.345 10.297 76 HB THR 9 HB THR 9 3.759 1.719 12.872 77 HG1 THR 9 1HG THR 9 6.164 1.921 11.409 78 1HG2 THR 9 1HG2 THR 9 5.250 -0.224 12.605 79 2HG2 THR 9 2HG2 THR 9 5.070 -0.089 10.857 80 3HG2 THR 9 3HG2 THR 9 3.668 -0.456 11.862 81 H ASP 10 H ASP 10 3.745 4.663 11.055 82 HA ASP 10 HA ASP 10 1.658 5.208 12.852 83 1HB ASP 10 2HB ASP 10 3.400 6.840 11.070 84 2HB ASP 10 1HB ASP 10 1.957 7.605 11.728 85 H TYR 11 H TYR 11 1.810 5.648 9.320 86 HA TYR 11 HA TYR 11 -0.866 6.554 9.073 87 1HB TYR 11 2HB TYR 11 1.312 5.760 7.246 88 2HB TYR 11 1HB TYR 11 -0.312 5.558 6.605 89 HD1 TYR 11 1HD TYR 11 0.285 7.236 4.877 90 HD2 TYR 11 2HD TYR 11 0.193 8.228 9.014 91 HE1 TYR 11 1HE TYR 11 0.211 9.623 4.298 92 HE2 TYR 11 2HE TYR 11 0.118 10.620 8.443 93 HH TYR 11 HH TYR 11 -0.718 11.805 5.590 94 H LEU 12 H LEU 12 0.646 3.408 8.369 95 HA LEU 12 HA LEU 12 -1.638 2.038 7.582 96 1HB LEU 12 2HB LEU 12 0.955 1.381 7.806 97 2HB LEU 12 1HB LEU 12 0.332 0.550 9.218 98 HG LEU 12 HG LEU 12 -0.670 0.148 6.399 99 1HD1 LEU 12 1HD1 LEU 12 0.483 -1.964 6.447 100 2HD1 LEU 12 2HD1 LEU 12 1.045 -1.662 8.091 101 3HD1 LEU 12 3HD1 LEU 12 1.636 -0.666 6.759 102 1HD2 LEU 12 1HD2 LEU 12 -1.282 -1.336 8.951 103 2HD2 LEU 12 2HD2 LEU 12 -1.871 -1.753 7.342 104 3HD2 LEU 12 3HD2 LEU 12 -2.377 -0.245 8.103 105 H MET 13 H MET 13 -0.293 2.437 10.844 106 HA MET 13 HA MET 13 -2.264 0.853 12.133 107 1HB MET 13 2HB MET 13 -0.337 2.941 13.140 108 2HB MET 13 1HB MET 13 -1.451 2.096 14.206 109 1HG MET 13 2HG MET 13 0.188 0.396 12.449 110 2HG MET 13 1HG MET 13 1.055 1.281 13.702 111 1HE MET 13 1HE MET 13 -1.952 -1.193 13.018 112 2HE MET 13 2HE MET 13 -2.660 0.105 13.979 113 3HE MET 13 3HE MET 13 -2.491 -1.510 14.667 114 H ARG 14 H ARG 14 -1.903 4.348 11.649 115 HA ARG 14 HA ARG 14 -4.214 5.102 13.083 116 1HB ARG 14 2HB ARG 14 -2.253 6.566 12.292 117 2HB ARG 14 1HB ARG 14 -3.096 6.641 10.751 118 1HG ARG 14 2HG ARG 14 -4.845 7.876 11.616 119 2HG ARG 14 1HG ARG 14 -4.527 7.357 13.272 120 1HD ARG 14 2HD ARG 14 -3.273 9.155 13.622 121 2HD ARG 14 1HD ARG 14 -2.225 8.716 12.274 122 HE ARG 14 HE ARG 14 -4.283 10.717 12.291 123 1HH1 ARG 14 1HH1 ARG 14 -2.437 8.542 10.281 124 2HH1 ARG 14 2HH1 ARG 14 -2.653 9.485 8.845 125 1HH2 ARG 14 1HH2 ARG 14 -4.569 11.960 10.402 126 2HH2 ARG 14 2HH2 ARG 14 -3.863 11.425 8.914 127 H LEU 15 H LEU 15 -3.713 3.968 9.826 128 HA LEU 15 HA LEU 15 -6.120 4.854 8.673 129 1HB LEU 15 2HB LEU 15 -3.934 3.613 7.726 130 2HB LEU 15 1HB LEU 15 -5.017 2.240 7.817 131 HG LEU 15 HG LEU 15 -6.214 4.581 6.527 132 1HD1 LEU 15 1HD1 LEU 15 -4.774 3.700 4.404 133 2HD1 LEU 15 2HD1 LEU 15 -3.567 3.631 5.689 134 3HD1 LEU 15 3HD1 LEU 15 -4.397 5.147 5.339 135 1HD2 LEU 15 1HD2 LEU 15 -7.502 2.825 6.014 136 2HD2 LEU 15 2HD2 LEU 15 -6.220 1.665 6.355 137 3HD2 LEU 15 3HD2 LEU 15 -6.288 2.467 4.786 138 H ARG 16 H ARG 16 -5.291 1.810 10.306 139 HA ARG 16 HA ARG 16 -7.841 0.618 9.971 140 1HB ARG 16 2HB ARG 16 -5.492 -0.384 10.668 141 2HB ARG 16 1HB ARG 16 -6.104 -0.096 12.291 142 1HG ARG 16 2HG ARG 16 -7.899 -1.583 11.994 143 2HG ARG 16 1HG ARG 16 -7.670 -1.634 10.245 144 1HD ARG 16 2HD ARG 16 -6.660 -3.598 10.781 145 2HD ARG 16 1HD ARG 16 -5.276 -2.522 10.976 146 HE ARG 16 HE ARG 16 -6.831 -2.907 13.373 147 1HH1 ARG 16 1HH1 ARG 16 -4.178 -4.092 11.438 148 2HH1 ARG 16 2HH1 ARG 16 -3.405 -4.893 12.765 149 1HH2 ARG 16 1HH2 ARG 16 -5.815 -3.960 15.117 150 2HH2 ARG 16 2HH2 ARG 16 -4.333 -4.817 14.854 151 H ARG 17 H ARG 17 -6.724 3.080 12.056 152 HA ARG 17 HA ARG 17 -8.187 2.710 14.374 153 1HB ARG 17 2HB ARG 17 -6.514 4.611 13.558 154 2HB ARG 17 1HB ARG 17 -8.021 5.463 13.251 155 1HG ARG 17 2HG ARG 17 -8.642 4.880 15.656 156 2HG ARG 17 1HG ARG 17 -6.941 4.458 15.860 157 1HD ARG 17 2HD ARG 17 -6.743 6.629 16.431 158 2HD ARG 17 1HD ARG 17 -6.699 6.871 14.685 159 HE ARG 17 HE ARG 17 -8.665 7.996 14.871 160 1HH1 ARG 17 1HH1 ARG 17 -8.389 5.850 17.609 161 2HH1 ARG 17 2HH1 ARG 17 -9.849 6.410 18.354 162 1HH2 ARG 17 1HH2 ARG 17 -10.584 8.734 15.848 163 2HH2 ARG 17 2HH2 ARG 17 -11.096 8.047 17.353 164 H CYS 18 H CYS 18 -9.305 3.562 11.206 165 HA CYS 18 HA CYS 18 -11.734 4.807 11.895 166 1HB CYS 18 2HB CYS 18 -10.415 4.227 9.548 167 2HB CYS 18 1HB CYS 18 -11.833 3.190 9.456 168 HG CYS 18 HG CYS 18 -13.338 5.237 9.408 169 H GLN 19 H GLN 19 -13.913 3.818 11.332 170 HA GLN 19 HA GLN 19 -14.100 1.217 12.676 171 1HB GLN 19 2HB GLN 19 -15.743 3.641 12.642 172 2HB GLN 19 1HB GLN 19 -16.676 2.164 12.457 173 1HG GLN 19 2HG GLN 19 -16.390 1.578 14.587 174 2HG GLN 19 1HG GLN 19 -14.679 2.005 14.572 175 1HE2 GLN 19 1HE2 GLN 19 -14.212 4.364 14.639 176 2HE2 GLN 19 2HE2 GLN 19 -15.211 5.348 15.648 177 H THR 20 H THR 20 -15.216 2.975 9.825 178 HA THR 20 HA THR 20 -15.804 0.386 8.557 179 HB THR 20 HB THR 20 -17.909 1.536 9.163 180 HG1 THR 20 1HG THR 20 -18.833 1.328 7.143 181 1HG2 THR 20 1HG2 THR 20 -16.637 3.789 7.760 182 2HG2 THR 20 2HG2 THR 20 -17.800 3.781 9.085 183 3HG2 THR 20 3HG2 THR 20 -18.347 3.519 7.429 184 H ILE 21 H ILE 21 -15.443 0.273 6.308 185 HA ILE 21 HA ILE 21 -13.196 1.737 5.407 186 HB ILE 21 HB ILE 21 -15.070 0.019 3.779 187 1HG1 ILE 21 2HG1 ILE 21 -14.216 -1.272 5.629 188 2HG1 ILE 21 1HG1 ILE 21 -13.352 -1.755 4.173 189 1HG2 ILE 21 1HG2 ILE 21 -12.210 0.820 3.262 190 2HG2 ILE 21 2HG2 ILE 21 -13.626 1.476 2.438 191 3HG2 ILE 21 3HG2 ILE 21 -13.202 -0.226 2.247 192 1HD1 ILE 21 1HD1 ILE 21 -11.586 -0.032 4.950 193 2HD1 ILE 21 2HD1 ILE 21 -11.671 -1.607 5.738 194 3HD1 ILE 21 3HD1 ILE 21 -12.376 -0.192 6.518 195 H ASP 22 H ASP 22 -16.647 1.951 4.669 196 HA ASP 22 HA ASP 22 -16.577 3.656 2.492 197 1HB ASP 22 2HB ASP 22 -18.586 2.500 3.664 198 2HB ASP 22 1HB ASP 22 -18.664 3.970 4.631 199 H THR 23 H THR 23 -16.761 4.580 5.940 200 HA THR 23 HA THR 23 -16.545 7.370 5.346 201 HB THR 23 HB THR 23 -16.787 5.689 7.765 202 HG1 THR 23 1HG THR 23 -17.827 8.198 6.970 203 1HG2 THR 23 1HG2 THR 23 -14.815 6.908 8.434 204 2HG2 THR 23 2HG2 THR 23 -16.231 7.505 9.300 205 3HG2 THR 23 3HG2 THR 23 -15.567 8.429 7.953 206 H LEU 24 H LEU 24 -14.323 4.784 6.047 207 HA LEU 24 HA LEU 24 -12.085 6.410 6.705 208 1HB LEU 24 2HB LEU 24 -12.465 3.883 7.114 209 2HB LEU 24 1HB LEU 24 -11.879 3.680 5.474 210 HG LEU 24 HG LEU 24 -10.349 4.939 7.748 211 1HD1 LEU 24 1HD1 LEU 24 -8.880 2.913 7.368 212 2HD1 LEU 24 2HD1 LEU 24 -10.217 2.242 6.434 213 3HD1 LEU 24 3HD1 LEU 24 -10.436 2.619 8.143 214 1HD2 LEU 24 1HD2 LEU 24 -9.468 6.010 5.919 215 2HD2 LEU 24 2HD2 LEU 24 -9.811 4.666 4.831 216 3HD2 LEU 24 3HD2 LEU 24 -8.468 4.560 5.968 217 H GLU 25 H GLU 25 -13.334 5.036 3.711 218 HA GLU 25 HA GLU 25 -11.174 5.581 2.032 219 1HB GLU 25 2HB GLU 25 -13.267 4.247 1.496 220 2HB GLU 25 1HB GLU 25 -14.077 5.783 1.223 221 1HG GLU 25 2HG GLU 25 -13.365 5.742 -0.867 222 2HG GLU 25 1HG GLU 25 -11.709 5.878 -0.276 223 H ARG 26 H ARG 26 -13.643 7.655 3.338 224 HA ARG 26 HA ARG 26 -13.409 9.844 1.606 225 1HB ARG 26 2HB ARG 26 -15.225 9.659 3.214 226 2HB ARG 26 1HB ARG 26 -14.087 9.757 4.550 227 1HG ARG 26 2HG ARG 26 -13.592 12.042 3.054 228 2HG ARG 26 1HG ARG 26 -15.347 11.869 3.034 229 1HD ARG 26 2HD ARG 26 -15.088 11.465 5.580 230 2HD ARG 26 1HD ARG 26 -13.505 12.211 5.369 231 HE ARG 26 HE ARG 26 -15.636 13.760 4.241 232 1HH1 ARG 26 1HH1 ARG 26 -13.901 13.038 7.180 233 2HH1 ARG 26 2HH1 ARG 26 -14.283 14.552 7.927 234 1HH2 ARG 26 1HH2 ARG 26 -16.139 15.754 5.221 235 2HH2 ARG 26 2HH2 ARG 26 -15.554 16.094 6.815 236 H VAL 27 H VAL 27 -11.459 8.797 4.329 237 HA VAL 27 HA VAL 27 -9.962 11.236 4.479 238 HB VAL 27 HB VAL 27 -10.337 9.392 6.321 239 1HG1 VAL 27 1HG1 VAL 27 -8.791 7.713 6.516 240 2HG1 VAL 27 2HG1 VAL 27 -7.593 8.550 5.531 241 3HG1 VAL 27 3HG1 VAL 27 -8.977 7.774 4.763 242 1HG2 VAL 27 1HG2 VAL 27 -9.309 11.196 7.191 243 2HG2 VAL 27 2HG2 VAL 27 -8.183 11.337 5.840 244 3HG2 VAL 27 3HG2 VAL 27 -7.881 10.163 7.121 245 H ILE 28 H ILE 28 -9.644 8.187 2.804 246 HA ILE 28 HA ILE 28 -6.930 8.322 2.113 247 HB ILE 28 HB ILE 28 -9.309 6.970 0.901 248 1HG1 ILE 28 2HG1 ILE 28 -7.895 4.966 1.315 249 2HG1 ILE 28 1HG1 ILE 28 -6.639 6.019 1.955 250 1HG2 ILE 28 1HG2 ILE 28 -8.208 7.632 -1.093 251 2HG2 ILE 28 2HG2 ILE 28 -7.766 5.949 -0.808 252 3HG2 ILE 28 3HG2 ILE 28 -6.622 7.237 -0.429 253 1HD1 ILE 28 1HD1 ILE 28 -9.374 6.112 3.127 254 2HD1 ILE 28 2HD1 ILE 28 -7.817 6.481 3.868 255 3HD1 ILE 28 3HD1 ILE 28 -8.273 4.805 3.561 256 H GLU 29 H GLU 29 -9.760 9.893 0.787 257 HA GLU 29 HA GLU 29 -8.455 10.879 -1.566 258 1HB GLU 29 2HB GLU 29 -11.036 10.579 -0.938 259 2HB GLU 29 1HB GLU 29 -10.851 12.265 -0.474 260 1HG GLU 29 2HG GLU 29 -11.376 12.661 -2.610 261 2HG GLU 29 1HG GLU 29 -9.678 12.288 -2.907 262 H LYS 30 H LYS 30 -9.421 12.343 1.529 263 HA LYS 30 HA LYS 30 -8.302 14.887 0.948 264 1HB LYS 30 2HB LYS 30 -9.697 13.621 3.145 265 2HB LYS 30 1HB LYS 30 -8.369 14.609 3.736 266 1HG LYS 30 2HG LYS 30 -9.564 16.223 1.851 267 2HG LYS 30 1HG LYS 30 -10.926 15.397 2.608 268 1HD LYS 30 2HD LYS 30 -8.851 16.429 4.438 269 2HD LYS 30 1HD LYS 30 -9.810 17.643 3.588 270 1HE LYS 30 2HE LYS 30 -11.628 15.701 4.483 271 2HE LYS 30 1HE LYS 30 -10.526 15.989 5.827 272 1HZ LYS 30 1HZ LYS 30 -12.450 17.480 5.852 273 2HZ LYS 30 2HZ LYS 30 -11.992 18.107 4.349 274 3HZ LYS 30 3HZ LYS 30 -10.997 18.335 5.698 275 H ASN 31 H ASN 31 -7.064 11.961 2.420 276 HA ASN 31 HA ASN 31 -4.681 13.154 3.451 277 1HB ASN 31 2HB ASN 31 -5.482 10.284 2.973 278 2HB ASN 31 1HB ASN 31 -3.935 10.745 3.675 279 1HD2 ASN 31 1HD2 ASN 31 -5.095 9.243 5.309 280 2HD2 ASN 31 2HD2 ASN 31 -5.961 10.059 6.561 281 H LYS 32 H LYS 32 -5.479 11.314 0.536 282 HA LYS 32 HA LYS 32 -2.879 11.061 -0.470 283 1HB LYS 32 2HB LYS 32 -3.858 10.462 -2.540 284 2HB LYS 32 1HB LYS 32 -4.970 9.896 -1.305 285 1HG LYS 32 2HG LYS 32 -6.604 10.981 -2.325 286 2HG LYS 32 1HG LYS 32 -5.785 12.503 -1.973 287 1HD LYS 32 2HD LYS 32 -5.804 12.708 -4.224 288 2HD LYS 32 1HD LYS 32 -4.358 11.702 -4.105 289 1HE LYS 32 2HE LYS 32 -6.113 9.745 -4.208 290 2HE LYS 32 1HE LYS 32 -7.117 10.978 -4.970 291 1HZ LYS 32 1HZ LYS 32 -4.550 9.860 -5.906 292 2HZ LYS 32 2HZ LYS 32 -5.104 11.354 -6.469 293 3HZ LYS 32 3HZ LYS 32 -6.024 9.959 -6.731 294 H TYR 33 H TYR 33 -5.110 13.741 -0.507 295 HA TYR 33 HA TYR 33 -3.352 15.253 -2.296 296 1HB TYR 33 2HB TYR 33 -6.132 15.150 -2.022 297 2HB TYR 33 1HB TYR 33 -5.674 16.710 -1.347 298 HD1 TYR 33 1HD TYR 33 -4.043 18.138 -2.815 299 HD2 TYR 33 2HD TYR 33 -6.433 14.951 -4.309 300 HE1 TYR 33 1HE TYR 33 -3.852 19.067 -5.083 301 HE2 TYR 33 2HE TYR 33 -6.248 15.870 -6.583 302 HH TYR 33 HH TYR 33 -4.416 17.446 -7.789 303 H GLU 34 H GLU 34 -3.692 14.714 0.970 304 HA GLU 34 HA GLU 34 -3.230 17.393 1.903 305 1HB GLU 34 2HB GLU 34 -4.030 14.970 3.063 306 2HB GLU 34 1HB GLU 34 -2.481 15.343 3.802 307 1HG GLU 34 2HG GLU 34 -4.679 17.373 3.631 308 2HG GLU 34 1HG GLU 34 -4.579 16.207 4.950 309 H LEU 35 H LEU 35 -1.232 14.472 2.370 310 HA LEU 35 HA LEU 35 1.119 15.984 2.817 311 1HB LEU 35 2HB LEU 35 2.246 13.978 3.083 312 2HB LEU 35 1HB LEU 35 0.643 13.636 3.641 313 HG LEU 35 HG LEU 35 2.158 12.422 1.453 314 1HD1 LEU 35 1HD1 LEU 35 -0.107 10.927 2.158 315 2HD1 LEU 35 2HD1 LEU 35 0.481 11.682 3.638 316 3HD1 LEU 35 3HD1 LEU 35 1.559 10.688 2.669 317 1HD2 LEU 35 1HD2 LEU 35 0.764 13.239 -0.157 318 2HD2 LEU 35 2HD2 LEU 35 -0.589 13.436 0.953 319 3HD2 LEU 35 3HD2 LEU 35 -0.158 11.834 0.368 320 H SER 36 H SER 36 3.029 14.500 1.389 321 HA SER 36 HA SER 36 2.617 15.500 -1.353 322 1HB SER 36 2HB SER 36 5.140 15.483 0.320 323 2HB SER 36 1HB SER 36 5.115 15.826 -1.410 324 HG SER 36 HG SER 36 3.530 17.263 0.441 325 H ASP 37 H ASP 37 4.553 14.414 -2.746 326 HA ASP 37 HA ASP 37 3.838 11.715 -3.024 327 1HB ASP 37 2HB ASP 37 5.860 13.520 -4.213 328 2HB ASP 37 1HB ASP 37 6.226 11.800 -4.303 329 H ASN 38 H ASN 38 6.207 13.289 -1.044 330 HA ASN 38 HA ASN 38 7.863 11.023 -0.584 331 1HB ASN 38 2HB ASN 38 8.168 13.661 -0.124 332 2HB ASN 38 1HB ASN 38 7.725 13.124 1.494 333 1HD2 ASN 38 1HD2 ASN 38 9.833 12.142 -1.187 334 2HD2 ASN 38 2HD2 ASN 38 11.183 11.723 -0.196 335 H GLU 39 H GLU 39 5.243 12.537 1.316 336 HA GLU 39 HA GLU 39 5.384 10.494 3.335 337 1HB GLU 39 2HB GLU 39 4.735 12.695 4.013 338 2HB GLU 39 1HB GLU 39 3.481 12.761 2.790 339 1HG GLU 39 2HG GLU 39 2.115 12.247 4.471 340 2HG GLU 39 1HG GLU 39 2.691 10.600 4.221 341 H LEU 40 H LEU 40 3.590 11.100 0.411 342 HA LEU 40 HA LEU 40 1.400 9.424 0.789 343 1HB LEU 40 2HB LEU 40 1.736 11.012 -1.089 344 2HB LEU 40 1HB LEU 40 2.877 9.889 -1.799 345 HG LEU 40 HG LEU 40 0.365 8.572 -1.234 346 1HD1 LEU 40 1HD1 LEU 40 -0.559 10.832 -1.511 347 2HD1 LEU 40 2HD1 LEU 40 -1.037 9.751 -2.820 348 3HD1 LEU 40 3HD1 LEU 40 0.231 10.949 -3.083 349 1HD2 LEU 40 1HD2 LEU 40 2.103 9.057 -3.630 350 2HD2 LEU 40 2HD2 LEU 40 0.547 8.238 -3.770 351 3HD2 LEU 40 3HD2 LEU 40 1.816 7.554 -2.754 352 H ALA 41 H ALA 41 4.725 8.680 -0.006 353 HA ALA 41 HA ALA 41 4.425 6.069 -0.959 354 1HB ALA 41 1HB ALA 41 6.585 6.984 -1.122 355 2HB ALA 41 2HB ALA 41 6.736 5.726 0.105 356 3HB ALA 41 3HB ALA 41 6.624 7.420 0.585 357 H VAL 42 H VAL 42 4.280 7.435 2.234 358 HA VAL 42 HA VAL 42 4.255 4.930 3.634 359 HB VAL 42 HB VAL 42 3.530 7.730 4.521 360 1HG1 VAL 42 1HG1 VAL 42 4.173 6.095 6.735 361 2HG1 VAL 42 2HG1 VAL 42 2.962 5.232 5.788 362 3HG1 VAL 42 3HG1 VAL 42 2.634 6.867 6.359 363 1HG2 VAL 42 1HG2 VAL 42 5.987 6.041 4.971 364 2HG2 VAL 42 2HG2 VAL 42 5.677 7.600 5.737 365 3HG2 VAL 42 3HG2 VAL 42 5.871 7.500 3.987 366 H PHE 43 H PHE 43 1.889 7.155 2.268 367 HA PHE 43 HA PHE 43 -0.364 5.912 3.543 368 1HB PHE 43 2HB PHE 43 -0.113 8.321 2.524 369 2HB PHE 43 1HB PHE 43 -0.613 7.528 1.034 370 HD1 PHE 43 1HD PHE 43 -2.769 8.260 0.631 371 HD2 PHE 43 2HD PHE 43 -1.716 6.941 4.538 372 HE1 PHE 43 1HE PHE 43 -5.123 8.441 1.323 373 HE2 PHE 43 2HE PHE 43 -4.067 7.118 5.237 374 HZ PHE 43 HZ PHE 43 -5.774 7.869 3.630 375 H TYR 44 H TYR 44 1.134 5.731 0.341 376 HA TYR 44 HA TYR 44 -0.790 3.989 -0.793 377 1HB TYR 44 2HB TYR 44 1.188 5.442 -1.848 378 2HB TYR 44 1HB TYR 44 2.027 3.898 -1.750 379 HD1 TYR 44 1HD TYR 44 0.930 1.876 -2.864 380 HD2 TYR 44 2HD TYR 44 -0.295 5.881 -3.606 381 HE1 TYR 44 1HE TYR 44 -0.148 1.152 -4.952 382 HE2 TYR 44 2HE TYR 44 -1.378 5.170 -5.696 383 HH TYR 44 HH TYR 44 -1.004 3.143 -7.366 384 H SER 45 H SER 45 2.404 3.398 0.656 385 HA SER 45 HA SER 45 2.472 0.630 0.284 386 1HB SER 45 2HB SER 45 4.413 2.031 0.993 387 2HB SER 45 1HB SER 45 3.683 2.173 2.592 388 HG SER 45 HG SER 45 4.964 0.023 1.403 389 H ALA 46 H ALA 46 1.268 2.536 3.029 390 HA ALA 46 HA ALA 46 0.478 0.271 4.562 391 1HB ALA 46 1HB ALA 46 0.116 3.209 4.760 392 2HB ALA 46 2HB ALA 46 0.755 2.064 5.938 393 3HB ALA 46 3HB ALA 46 -0.985 2.181 5.677 394 H ALA 47 H ALA 47 -1.043 2.184 2.081 395 HA ALA 47 HA ALA 47 -3.730 1.557 2.575 396 1HB ALA 47 1HB ALA 47 -3.875 3.059 0.944 397 2HB ALA 47 2HB ALA 47 -3.482 1.771 -0.195 398 3HB ALA 47 3HB ALA 47 -2.200 2.788 0.464 399 H ASP 48 H ASP 48 -1.697 0.146 0.000 400 HA ASP 48 HA ASP 48 -3.389 -1.958 -0.634 401 1HB ASP 48 2HB ASP 48 -0.573 -1.280 -1.126 402 2HB ASP 48 1HB ASP 48 -0.902 -3.010 -1.151 403 H HIS 49 H HIS 49 -0.747 -1.869 1.741 404 HA HIS 49 HA HIS 49 -0.757 -4.560 2.471 405 1HB HIS 49 2HB HIS 49 0.446 -2.175 3.408 406 2HB HIS 49 1HB HIS 49 -0.339 -2.917 4.799 407 HD1 HIS 49 1HD HIS 49 2.825 -2.711 4.110 408 HD2 HIS 49 2HD HIS 49 0.388 -6.069 3.880 409 HE1 HIS 49 1HE HIS 49 4.375 -4.682 4.301 410 HE2 HIS 49 2HE HIS 49 2.869 -6.700 4.244 411 H ARG 50 H ARG 50 -2.577 -1.854 3.919 412 HA ARG 50 HA ARG 50 -4.003 -3.403 5.782 413 1HB ARG 50 2HB ARG 50 -3.808 -0.733 5.252 414 2HB ARG 50 1HB ARG 50 -5.425 -1.078 4.657 415 1HG ARG 50 2HG ARG 50 -4.398 -1.644 7.429 416 2HG ARG 50 1HG ARG 50 -5.492 -0.340 6.963 417 1HD ARG 50 2HD ARG 50 -6.100 -3.264 6.566 418 2HD ARG 50 1HD ARG 50 -6.600 -2.345 7.985 419 HE ARG 50 HE ARG 50 -7.764 -2.254 5.363 420 1HH1 ARG 50 1HH1 ARG 50 -7.286 -0.492 8.336 421 2HH1 ARG 50 2HH1 ARG 50 -8.672 0.519 8.106 422 1HH2 ARG 50 1HH2 ARG 50 -9.587 -0.923 5.056 423 2HH2 ARG 50 2HH2 ARG 50 -9.979 0.274 6.244 424 H LEU 51 H LEU 51 -4.673 -2.485 2.449 425 HA LEU 51 HA LEU 51 -7.268 -3.597 2.303 426 1HB LEU 51 2HB LEU 51 -5.217 -2.640 0.372 427 2HB LEU 51 1HB LEU 51 -6.468 -3.691 -0.257 428 HG LEU 51 HG LEU 51 -7.312 -1.567 -0.669 429 1HD1 LEU 51 1HD1 LEU 51 -9.246 -1.345 0.642 430 2HD1 LEU 51 2HD1 LEU 51 -8.460 -2.029 2.065 431 3HD1 LEU 51 3HD1 LEU 51 -8.850 -3.063 0.690 432 1HD2 LEU 51 1HD2 LEU 51 -7.291 0.242 1.070 433 2HD2 LEU 51 2HD2 LEU 51 -5.706 -0.219 0.446 434 3HD2 LEU 51 3HD2 LEU 51 -6.231 -0.790 2.030 435 H ALA 52 H ALA 52 -4.043 -4.864 1.817 436 HA ALA 52 HA ALA 52 -4.746 -7.307 0.598 437 1HB ALA 52 1HB ALA 52 -2.399 -6.023 1.191 438 2HB ALA 52 2HB ALA 52 -2.540 -7.657 0.544 439 3HB ALA 52 3HB ALA 52 -2.365 -7.410 2.281 440 H GLU 53 H GLU 53 -4.007 -6.520 4.005 441 HA GLU 53 HA GLU 53 -4.411 -9.073 5.047 442 1HB GLU 53 2HB GLU 53 -4.934 -7.866 7.208 443 2HB GLU 53 1HB GLU 53 -3.394 -7.469 6.462 444 1HG GLU 53 2HG GLU 53 -4.297 -5.404 5.602 445 2HG GLU 53 1HG GLU 53 -5.899 -5.818 6.213 446 H LEU 54 H LEU 54 -6.711 -6.456 4.462 447 HA LEU 54 HA LEU 54 -8.961 -7.614 5.650 448 1HB LEU 54 2HB LEU 54 -8.398 -5.427 3.835 449 2HB LEU 54 1HB LEU 54 -9.885 -6.242 3.390 450 HG LEU 54 HG LEU 54 -10.817 -5.842 5.593 451 1HD1 LEU 54 1HD1 LEU 54 -8.053 -4.883 6.188 452 2HD1 LEU 54 2HD1 LEU 54 -9.098 -5.950 7.126 453 3HD1 LEU 54 3HD1 LEU 54 -9.428 -4.218 7.070 454 1HD2 LEU 54 1HD2 LEU 54 -11.420 -4.056 4.314 455 2HD2 LEU 54 2HD2 LEU 54 -9.753 -3.586 3.984 456 3HD2 LEU 54 3HD2 LEU 54 -10.481 -3.215 5.547 457 H THR 55 H THR 55 -7.358 -8.244 2.630 458 HA THR 55 HA THR 55 -9.522 -9.817 1.544 459 HB THR 55 HB THR 55 -6.690 -9.820 0.532 460 HG1 THR 55 1HG THR 55 -8.666 -7.828 0.151 461 1HG2 THR 55 1HG2 THR 55 -9.328 -9.968 -0.907 462 2HG2 THR 55 2HG2 THR 55 -8.250 -11.327 -0.582 463 3HG2 THR 55 3HG2 THR 55 -7.728 -10.022 -1.648 464 H MET 56 H MET 56 -6.466 -10.398 3.211 465 HA MET 56 HA MET 56 -6.807 -13.287 2.949 466 1HB MET 56 2HB MET 56 -4.636 -12.079 4.596 467 2HB MET 56 1HB MET 56 -4.618 -13.545 3.631 468 1HG MET 56 2HG MET 56 -4.206 -10.716 2.789 469 2HG MET 56 1HG MET 56 -3.209 -12.131 2.484 470 1HE MET 56 1HE MET 56 -5.537 -14.068 -0.070 471 2HE MET 56 2HE MET 56 -5.109 -14.242 1.633 472 3HE MET 56 3HE MET 56 -3.845 -13.995 0.427 473 H ASN 57 H ASN 57 -8.472 -11.372 4.698 474 HA ASN 57 HA ASN 57 -9.564 -11.506 6.678 475 1HB ASN 57 2HB ASN 57 -8.477 -14.249 6.350 476 2HB ASN 57 1HB ASN 57 -9.034 -13.805 7.960 477 1HD2 ASN 57 1HD2 ASN 57 -11.225 -12.639 7.912 478 2HD2 ASN 57 2HD2 ASN 57 -12.435 -13.372 6.919 479 H LYS 58 H LYS 58 -7.734 -9.828 6.994 480 HA LYS 58 HA LYS 58 -6.393 -8.752 8.470 481 1HB LYS 58 2HB LYS 58 -7.405 -10.981 10.212 482 2HB LYS 58 1HB LYS 58 -6.238 -9.815 10.814 483 1HG LYS 58 2HG LYS 58 -8.611 -8.677 9.498 484 2HG LYS 58 1HG LYS 58 -8.900 -9.520 11.021 485 1HD LYS 58 2HD LYS 58 -8.492 -7.149 11.407 486 2HD LYS 58 1HD LYS 58 -7.200 -8.127 12.107 487 1HE LYS 58 2HE LYS 58 -5.845 -7.692 10.071 488 2HE LYS 58 1HE LYS 58 -7.115 -6.608 9.504 489 1HZ LYS 58 1HZ LYS 58 -6.776 -5.385 11.674 490 2HZ LYS 58 2HZ LYS 58 -5.534 -5.246 10.535 491 3HZ LYS 58 3HZ LYS 58 -5.354 -6.283 11.859 492 H LEU 59 H LEU 59 -5.295 -10.864 6.675 493 HA LEU 59 HA LEU 59 -2.841 -11.411 8.212 494 1HB LEU 59 2HB LEU 59 -3.824 -13.519 7.763 495 2HB LEU 59 1HB LEU 59 -4.182 -13.086 6.104 496 HG LEU 59 HG LEU 59 -2.204 -14.701 6.613 497 1HD1 LEU 59 1HD1 LEU 59 -1.280 -14.187 4.570 498 2HD1 LEU 59 2HD1 LEU 59 -1.441 -12.446 4.812 499 3HD1 LEU 59 3HD1 LEU 59 -2.861 -13.422 4.441 500 1HD2 LEU 59 1HD2 LEU 59 -0.287 -13.897 7.465 501 2HD2 LEU 59 2HD2 LEU 59 -1.331 -12.657 8.160 502 3HD2 LEU 59 3HD2 LEU 59 -0.464 -12.339 6.658 503 H TYR 60 H TYR 60 -1.121 -10.360 7.546 504 HA TYR 60 HA TYR 60 -0.912 -9.620 4.706 505 1HB TYR 60 2HB TYR 60 -0.190 -7.459 5.197 506 2HB TYR 60 1HB TYR 60 -1.459 -7.718 6.384 507 HD1 TYR 60 1HD TYR 60 2.192 -7.633 5.884 508 HD2 TYR 60 2HD TYR 60 -0.981 -7.685 8.713 509 HE1 TYR 60 1HE TYR 60 3.791 -7.090 7.676 510 HE2 TYR 60 2HE TYR 60 0.605 -7.141 10.515 511 HH TYR 60 HH TYR 60 3.601 -7.586 10.522 512 H ASP 61 H ASP 61 1.329 -9.230 3.993 513 HA ASP 61 HA ASP 61 3.603 -9.604 3.974 514 1HB ASP 61 2HB ASP 61 3.221 -9.767 6.649 515 2HB ASP 61 1HB ASP 61 3.675 -11.432 6.299 516 H LYS 62 H LYS 62 1.085 -11.778 3.929 517 HA LYS 62 HA LYS 62 2.769 -13.784 2.596 518 1HB LYS 62 2HB LYS 62 0.700 -14.154 4.707 519 2HB LYS 62 1HB LYS 62 0.793 -15.361 3.434 520 1HG LYS 62 2HG LYS 62 2.309 -16.344 4.740 521 2HG LYS 62 1HG LYS 62 3.413 -15.101 4.146 522 1HD LYS 62 2HD LYS 62 3.484 -14.052 6.132 523 2HD LYS 62 1HD LYS 62 1.750 -14.243 6.399 524 1HE LYS 62 2HE LYS 62 2.331 -15.713 7.982 525 2HE LYS 62 1HE LYS 62 2.671 -16.812 6.646 526 1HZ LYS 62 1HZ LYS 62 4.960 -15.464 6.772 527 2HZ LYS 62 2HZ LYS 62 4.678 -16.898 7.624 528 3HZ LYS 62 3HZ LYS 62 4.505 -15.407 8.402 529 H ILE 63 H ILE 63 0.814 -11.448 1.890 530 HA ILE 63 HA ILE 63 -1.382 -12.586 0.538 531 HB ILE 63 HB ILE 63 -0.045 -10.015 -0.278 532 1HG1 ILE 63 2HG1 ILE 63 -2.081 -9.345 1.497 533 2HG1 ILE 63 1HG1 ILE 63 -1.274 -10.700 2.281 534 1HG2 ILE 63 1HG2 ILE 63 -2.669 -11.303 -0.697 535 2HG2 ILE 63 2HG2 ILE 63 -1.746 -10.233 -1.752 536 3HG2 ILE 63 3HG2 ILE 63 -2.684 -9.561 -0.417 537 1HD1 ILE 63 1HD1 ILE 63 -0.020 -8.118 1.383 538 2HD1 ILE 63 2HD1 ILE 63 0.873 -9.492 2.034 539 3HD1 ILE 63 3HD1 ILE 63 -0.305 -8.648 3.042 540 HA PRO 64 HA PRO 64 1.019 -14.296 -2.858 541 1HB PRO 64 2HB PRO 64 -1.031 -15.508 -4.130 542 2HB PRO 64 1HB PRO 64 -0.314 -16.165 -2.653 543 1HG PRO 64 2HG PRO 64 -2.818 -14.560 -2.993 544 2HG PRO 64 1HG PRO 64 -2.537 -15.995 -1.990 545 1HD PRO 64 2HD PRO 64 -2.535 -13.464 -0.992 546 2HD PRO 64 1HD PRO 64 -1.558 -14.779 -0.301 547 H SER 65 H SER 65 0.184 -14.540 -5.384 548 HA SER 65 HA SER 65 -0.116 -11.766 -6.226 549 1HB SER 65 2HB SER 65 1.707 -13.172 -7.175 550 2HB SER 65 1HB SER 65 0.484 -14.214 -7.902 551 HG SER 65 HG SER 65 1.425 -12.427 -9.221 552 H SER 66 H SER 66 -1.851 -14.785 -6.252 553 HA SER 66 HA SER 66 -3.746 -14.115 -8.253 554 1HB SER 66 2HB SER 66 -3.694 -16.147 -6.032 555 2HB SER 66 1HB SER 66 -5.120 -15.943 -7.049 556 HG SER 66 HG SER 66 -3.229 -17.489 -7.626 557 H VAL 67 H VAL 67 -3.814 -13.899 -4.706 558 HA VAL 67 HA VAL 67 -6.446 -12.843 -4.566 559 HB VAL 67 HB VAL 67 -4.256 -12.497 -2.516 560 1HG1 VAL 67 1HG1 VAL 67 -7.127 -11.915 -2.605 561 2HG1 VAL 67 2HG1 VAL 67 -5.863 -11.249 -1.571 562 3HG1 VAL 67 3HG1 VAL 67 -6.605 -12.799 -1.171 563 1HG2 VAL 67 1HG2 VAL 67 -5.031 -14.908 -3.447 564 2HG2 VAL 67 2HG2 VAL 67 -6.234 -14.656 -2.183 565 3HG2 VAL 67 3HG2 VAL 67 -4.516 -14.615 -1.786 566 H TRP 68 H TRP 68 -3.236 -11.318 -4.336 567 HA TRP 68 HA TRP 68 -4.098 -8.696 -3.972 568 1HB TRP 68 2HB TRP 68 -1.624 -10.027 -4.481 569 2HB TRP 68 1HB TRP 68 -1.737 -8.647 -5.566 570 HD1 TRP 68 HD TRP 68 0.152 -9.058 -2.837 571 HE1 TRP 68 1HE TRP 68 0.149 -7.113 -1.154 572 HE3 TRP 68 3HE TRP 68 -4.176 -6.741 -4.270 573 HZ2 TRP 68 2HZ TRP 68 -1.472 -4.892 -0.514 574 HZ3 TRP 68 3HZ TRP 68 -4.881 -4.713 -3.072 575 HH2 TRP 68 HH TRP 68 -3.556 -3.809 -1.232 576 H LYS 69 H LYS 69 -3.573 -10.535 -6.939 577 HA LYS 69 HA LYS 69 -3.939 -8.411 -8.750 578 1HB LYS 69 2HB LYS 69 -2.999 -10.695 -9.270 579 2HB LYS 69 1HB LYS 69 -4.648 -11.305 -9.243 580 1HG LYS 69 2HG LYS 69 -5.251 -10.086 -11.149 581 2HG LYS 69 1HG LYS 69 -3.832 -9.042 -11.032 582 1HD LYS 69 2HD LYS 69 -2.388 -10.948 -11.559 583 2HD LYS 69 1HD LYS 69 -3.807 -11.992 -11.671 584 1HE LYS 69 2HE LYS 69 -3.010 -9.722 -13.470 585 2HE LYS 69 1HE LYS 69 -3.261 -11.415 -13.891 586 1HZ LYS 69 1HZ LYS 69 -5.197 -10.473 -14.619 587 2HZ LYS 69 2HZ LYS 69 -5.246 -9.311 -13.392 588 3HZ LYS 69 3HZ LYS 69 -5.659 -10.916 -13.053 589 H PHE 70 H PHE 70 -6.184 -10.436 -7.007 590 HA PHE 70 HA PHE 70 -8.490 -9.789 -8.546 591 1HB PHE 70 2HB PHE 70 -7.988 -11.079 -5.898 592 2HB PHE 70 1HB PHE 70 -9.617 -10.525 -6.270 593 HD1 PHE 70 1HD PHE 70 -9.984 -11.129 -9.046 594 HD2 PHE 70 2HD PHE 70 -7.927 -13.366 -6.068 595 HE1 PHE 70 1HE PHE 70 -10.399 -13.194 -10.317 596 HE2 PHE 70 2HE PHE 70 -8.336 -15.436 -7.334 597 HZ PHE 70 HZ PHE 70 -9.573 -15.351 -9.462 598 H ILE 71 H ILE 71 -7.265 -8.619 -5.416 599 HA ILE 71 HA ILE 71 -9.240 -6.476 -5.420 600 HB ILE 71 HB ILE 71 -8.809 -7.691 -3.320 601 1HG1 ILE 71 2HG1 ILE 71 -7.726 -5.026 -2.656 602 2HG1 ILE 71 1HG1 ILE 71 -9.186 -5.016 -3.641 603 1HG2 ILE 71 1HG2 ILE 71 -6.195 -7.661 -4.035 604 2HG2 ILE 71 2HG2 ILE 71 -6.781 -8.003 -2.408 605 3HG2 ILE 71 3HG2 ILE 71 -6.230 -6.380 -2.823 606 1HD1 ILE 71 1HD1 ILE 71 -9.879 -6.802 -1.741 607 2HD1 ILE 71 2HD1 ILE 71 -10.215 -5.073 -1.656 608 3HD1 ILE 71 3HD1 ILE 71 -8.809 -5.740 -0.827 609 H ARG 72 H ARG 72 -8.826 -4.494 -6.137 610 HA ARG 72 HA ARG 72 -7.732 -2.654 -6.902 611 1HB ARG 72 2HB ARG 72 -6.114 -3.614 -4.653 612 2HB ARG 72 1HB ARG 72 -5.211 -2.641 -5.805 613 1HG ARG 72 2HG ARG 72 -7.513 -1.188 -5.466 614 2HG ARG 72 1HG ARG 72 -7.223 -1.850 -3.857 615 1HD ARG 72 2HD ARG 72 -5.626 -0.347 -3.509 616 2HD ARG 72 1HD ARG 72 -4.742 -0.941 -4.913 617 HE ARG 72 HE ARG 72 -6.345 1.436 -4.751 618 1HH1 ARG 72 1HH1 ARG 72 -5.034 -0.985 -6.897 619 2HH1 ARG 72 2HH1 ARG 72 -5.092 0.040 -8.292 620 1HH2 ARG 72 1HH2 ARG 72 -6.422 2.786 -6.585 621 2HH2 ARG 72 2HH2 ARG 72 -5.879 2.181 -8.115 Start of MODEL 4 1 1H MET 1 1HT MET 1 11.232 12.107 16.905 2 2H MET 1 2HT MET 1 10.543 10.598 17.344 3 3H MET 1 3HT MET 1 9.534 11.962 17.086 4 HA MET 1 HA MET 1 10.440 12.004 14.776 5 1HB MET 1 2HB MET 1 11.597 9.514 15.916 6 2HB MET 1 1HB MET 1 11.007 9.434 14.260 7 1HG MET 1 2HG MET 1 12.429 11.617 13.981 8 2HG MET 1 1HG MET 1 13.272 10.991 15.397 9 1HE MET 1 1HE MET 1 15.213 11.391 13.403 10 2HE MET 1 2HE MET 1 14.124 11.429 12.017 11 3HE MET 1 3HE MET 1 15.436 10.253 12.074 12 H SER 2 H SER 2 8.570 10.178 16.993 13 HA SER 2 HA SER 2 6.936 8.752 15.180 14 1HB SER 2 2HB SER 2 5.389 8.507 17.084 15 2HB SER 2 1HB SER 2 7.054 8.174 17.561 16 HG SER 2 HG SER 2 5.840 9.566 19.014 17 H GLU 3 H GLU 3 5.784 9.699 13.629 18 HA GLU 3 HA GLU 3 3.703 11.538 14.271 19 1HB GLU 3 2HB GLU 3 4.499 13.381 12.787 20 2HB GLU 3 1HB GLU 3 5.453 13.185 14.250 21 1HG GLU 3 2HG GLU 3 7.140 11.952 12.958 22 2HG GLU 3 1HG GLU 3 6.194 12.223 11.496 23 H LYS 4 H LYS 4 2.948 12.535 11.924 24 HA LYS 4 HA LYS 4 1.832 10.412 10.551 25 1HB LYS 4 2HB LYS 4 2.115 13.300 10.098 26 2HB LYS 4 1HB LYS 4 1.914 12.362 8.625 27 1HG LYS 4 2HG LYS 4 -0.106 11.313 9.694 28 2HG LYS 4 1HG LYS 4 0.053 12.513 10.979 29 1HD LYS 4 2HD LYS 4 -0.052 13.348 8.103 30 2HD LYS 4 1HD LYS 4 -1.534 13.005 8.998 31 1HE LYS 4 2HE LYS 4 -0.548 14.619 10.766 32 2HE LYS 4 1HE LYS 4 0.496 15.159 9.453 33 1HZ LYS 4 1HZ LYS 4 -2.473 15.131 9.362 34 2HZ LYS 4 2HZ LYS 4 -1.441 15.723 8.159 35 3HZ LYS 4 3HZ LYS 4 -1.524 16.501 9.659 36 HA PRO 5 HA PRO 5 5.214 10.581 7.189 37 1HB PRO 5 2HB PRO 5 7.163 12.419 7.271 38 2HB PRO 5 1HB PRO 5 5.557 12.807 6.644 39 1HG PRO 5 2HG PRO 5 6.731 13.392 9.335 40 2HG PRO 5 1HG PRO 5 5.758 14.442 8.289 41 1HD PRO 5 2HD PRO 5 4.741 13.047 10.420 42 2HD PRO 5 1HD PRO 5 3.784 13.528 9.004 43 H LEU 6 H LEU 6 5.397 9.005 9.343 44 HA LEU 6 HA LEU 6 8.215 9.017 10.162 45 1HB LEU 6 2HB LEU 6 6.347 9.000 11.884 46 2HB LEU 6 1HB LEU 6 6.001 7.366 11.363 47 HG LEU 6 HG LEU 6 7.450 7.711 13.461 48 1HD1 LEU 6 1HD1 LEU 6 8.746 5.715 12.980 49 2HD1 LEU 6 2HD1 LEU 6 8.426 5.905 11.257 50 3HD1 LEU 6 3HD1 LEU 6 7.100 5.557 12.368 51 1HD2 LEU 6 1HD2 LEU 6 9.629 8.353 13.285 52 2HD2 LEU 6 2HD2 LEU 6 8.937 9.332 11.993 53 3HD2 LEU 6 3HD2 LEU 6 9.766 7.825 11.608 54 H THR 7 H THR 7 5.926 6.322 9.903 55 HA THR 7 HA THR 7 7.497 5.134 7.763 56 HB THR 7 HB THR 7 7.524 2.935 9.110 57 HG1 THR 7 1HG THR 7 7.332 3.080 11.255 58 1HG2 THR 7 1HG2 THR 7 9.562 3.719 10.475 59 2HG2 THR 7 2HG2 THR 7 9.335 5.248 9.627 60 3HG2 THR 7 3HG2 THR 7 9.634 3.770 8.713 61 H LYS 8 H LYS 8 6.491 2.958 7.118 62 HA LYS 8 HA LYS 8 3.823 3.373 6.396 63 1HB LYS 8 2HB LYS 8 5.266 0.722 6.552 64 2HB LYS 8 1HB LYS 8 3.846 1.085 5.580 65 1HG LYS 8 2HG LYS 8 5.172 2.702 4.286 66 2HG LYS 8 1HG LYS 8 6.595 2.264 5.232 67 1HD LYS 8 2HD LYS 8 6.063 -0.151 4.470 68 2HD LYS 8 1HD LYS 8 5.074 0.629 3.234 69 1HE LYS 8 2HE LYS 8 6.867 1.374 2.087 70 2HE LYS 8 1HE LYS 8 7.787 1.722 3.551 71 1HZ LYS 8 1HZ LYS 8 7.706 -0.694 1.940 72 2HZ LYS 8 2HZ LYS 8 7.752 -0.935 3.613 73 3HZ LYS 8 3HZ LYS 8 8.972 -0.042 2.855 74 H THR 9 H THR 9 5.242 1.564 9.064 75 HA THR 9 HA THR 9 2.844 0.362 9.962 76 HB THR 9 HB THR 9 4.829 0.946 12.041 77 HG1 THR 9 1HG THR 9 6.476 0.696 10.767 78 1HG2 THR 9 1HG2 THR 9 4.855 -1.494 12.261 79 2HG2 THR 9 2HG2 THR 9 3.785 -1.615 10.866 80 3HG2 THR 9 3HG2 THR 9 3.226 -0.824 12.340 81 H ASP 10 H ASP 10 4.507 3.362 10.846 82 HA ASP 10 HA ASP 10 2.942 4.127 13.006 83 1HB ASP 10 2HB ASP 10 5.000 5.293 12.375 84 2HB ASP 10 1HB ASP 10 4.228 5.899 10.913 85 H TYR 11 H TYR 11 2.466 4.913 9.563 86 HA TYR 11 HA TYR 11 -0.036 6.227 10.061 87 1HB TYR 11 2HB TYR 11 1.793 6.083 7.922 88 2HB TYR 11 1HB TYR 11 0.282 5.419 7.311 89 HD1 TYR 11 1HD TYR 11 2.107 8.334 7.572 90 HD2 TYR 11 2HD TYR 11 -1.855 6.892 8.137 91 HE1 TYR 11 1HE TYR 11 1.240 10.613 7.260 92 HE2 TYR 11 2HE TYR 11 -2.734 9.167 7.825 93 HH TYR 11 HH TYR 11 -1.165 11.571 6.437 94 H LEU 12 H LEU 12 0.948 3.099 8.717 95 HA LEU 12 HA LEU 12 -1.541 2.134 7.959 96 1HB LEU 12 2HB LEU 12 0.547 1.015 7.396 97 2HB LEU 12 1HB LEU 12 0.813 0.617 9.082 98 HG LEU 12 HG LEU 12 -0.050 -1.234 7.539 99 1HD1 LEU 12 1HD1 LEU 12 -1.944 -1.052 9.780 100 2HD1 LEU 12 2HD1 LEU 12 -0.244 -0.859 10.203 101 3HD1 LEU 12 3HD1 LEU 12 -0.784 -2.314 9.367 102 1HD2 LEU 12 1HD2 LEU 12 -2.799 -0.331 8.076 103 2HD2 LEU 12 2HD2 LEU 12 -2.133 -1.188 6.686 104 3HD2 LEU 12 3HD2 LEU 12 -1.936 0.558 6.822 105 H MET 13 H MET 13 0.073 1.833 11.117 106 HA MET 13 HA MET 13 -2.049 0.370 12.314 107 1HB MET 13 2HB MET 13 -0.897 0.734 14.409 108 2HB MET 13 1HB MET 13 0.277 0.343 13.161 109 1HG MET 13 2HG MET 13 1.409 2.141 13.763 110 2HG MET 13 1HG MET 13 0.090 3.120 13.124 111 1HE MET 13 1HE MET 13 0.454 0.662 15.869 112 2HE MET 13 2HE MET 13 -0.251 1.428 17.292 113 3HE MET 13 3HE MET 13 1.447 1.695 16.898 114 H ARG 14 H ARG 14 -1.359 3.770 11.930 115 HA ARG 14 HA ARG 14 -3.326 4.643 13.833 116 1HB ARG 14 2HB ARG 14 -1.339 6.001 13.291 117 2HB ARG 14 1HB ARG 14 -1.926 6.190 11.645 118 1HG ARG 14 2HG ARG 14 -3.564 7.666 12.246 119 2HG ARG 14 1HG ARG 14 -3.695 7.020 13.883 120 1HD ARG 14 2HD ARG 14 -1.255 8.489 12.926 121 2HD ARG 14 1HD ARG 14 -2.643 9.326 13.620 122 HE ARG 14 HE ARG 14 -1.642 7.192 15.263 123 1HH1 ARG 14 1HH1 ARG 14 -1.305 10.565 14.441 124 2HH1 ARG 14 2HH1 ARG 14 -0.587 10.992 15.958 125 1HH2 ARG 14 1HH2 ARG 14 -0.699 7.750 17.260 126 2HH2 ARG 14 2HH2 ARG 14 -0.243 9.394 17.559 127 H LEU 15 H LEU 15 -3.248 3.943 10.419 128 HA LEU 15 HA LEU 15 -5.609 5.308 9.676 129 1HB LEU 15 2HB LEU 15 -3.655 3.979 8.334 130 2HB LEU 15 1HB LEU 15 -4.969 2.824 8.224 131 HG LEU 15 HG LEU 15 -5.819 5.535 7.566 132 1HD1 LEU 15 1HD1 LEU 15 -4.041 4.331 5.504 133 2HD1 LEU 15 2HD1 LEU 15 -3.324 5.300 6.792 134 3HD1 LEU 15 3HD1 LEU 15 -4.539 6.008 5.728 135 1HD2 LEU 15 1HD2 LEU 15 -5.916 3.406 5.551 136 2HD2 LEU 15 2HD2 LEU 15 -7.202 4.432 6.186 137 3HD2 LEU 15 3HD2 LEU 15 -6.687 3.005 7.086 138 H ARG 16 H ARG 16 -5.016 1.948 10.660 139 HA ARG 16 HA ARG 16 -7.666 1.049 10.346 140 1HB ARG 16 2HB ARG 16 -5.327 -0.176 10.878 141 2HB ARG 16 1HB ARG 16 -6.026 -0.169 12.492 142 1HG ARG 16 2HG ARG 16 -8.091 -1.019 10.833 143 2HG ARG 16 1HG ARG 16 -6.649 -1.831 10.219 144 1HD ARG 16 2HD ARG 16 -7.412 -1.802 13.131 145 2HD ARG 16 1HD ARG 16 -7.929 -3.062 12.011 146 HE ARG 16 HE ARG 16 -5.090 -2.635 12.028 147 1HH1 ARG 16 1HH1 ARG 16 -7.734 -4.310 13.571 148 2HH1 ARG 16 2HH1 ARG 16 -6.734 -5.585 14.182 149 1HH2 ARG 16 1HH2 ARG 16 -3.773 -4.311 12.830 150 2HH2 ARG 16 2HH2 ARG 16 -4.486 -5.585 13.762 151 H ARG 17 H ARG 17 -6.242 3.076 12.703 152 HA ARG 17 HA ARG 17 -7.690 2.514 14.998 153 1HB ARG 17 2HB ARG 17 -5.850 4.384 14.312 154 2HB ARG 17 1HB ARG 17 -7.297 5.381 14.400 155 1HG ARG 17 2HG ARG 17 -6.736 5.550 16.563 156 2HG ARG 17 1HG ARG 17 -7.535 3.982 16.693 157 1HD ARG 17 2HD ARG 17 -5.600 2.883 17.040 158 2HD ARG 17 1HD ARG 17 -4.709 3.881 15.893 159 HE ARG 17 HE ARG 17 -4.910 4.263 18.728 160 1HH1 ARG 17 1HH1 ARG 17 -4.375 5.866 15.674 161 2HH1 ARG 17 2HH1 ARG 17 -3.495 7.181 16.376 162 1HH2 ARG 17 1HH2 ARG 17 -3.753 5.995 19.653 163 2HH2 ARG 17 2HH2 ARG 17 -3.143 7.255 18.635 164 H CYS 18 H CYS 18 -8.764 3.922 12.026 165 HA CYS 18 HA CYS 18 -10.957 5.413 12.846 166 1HB CYS 18 2HB CYS 18 -9.893 4.734 10.433 167 2HB CYS 18 1HB CYS 18 -11.381 3.795 10.417 168 HG CYS 18 HG CYS 18 -11.243 6.654 9.784 169 H GLN 19 H GLN 19 -13.268 4.480 11.869 170 HA GLN 19 HA GLN 19 -13.860 2.237 13.664 171 1HB GLN 19 2HB GLN 19 -15.051 4.511 13.828 172 2HB GLN 19 1HB GLN 19 -15.902 4.025 12.368 173 1HG GLN 19 2HG GLN 19 -17.019 2.300 13.440 174 2HG GLN 19 1HG GLN 19 -15.863 2.247 14.771 175 1HE2 GLN 19 1HE2 GLN 19 -18.042 2.245 15.887 176 2HE2 GLN 19 2HE2 GLN 19 -18.674 3.787 16.344 177 H THR 20 H THR 20 -14.338 3.367 10.355 178 HA THR 20 HA THR 20 -14.830 0.592 9.553 179 HB THR 20 HB THR 20 -17.027 1.711 9.768 180 HG1 THR 20 1HG THR 20 -17.731 1.173 7.669 181 1HG2 THR 20 1HG2 THR 20 -17.343 3.305 7.615 182 2HG2 THR 20 2HG2 THR 20 -15.722 3.766 8.135 183 3HG2 THR 20 3HG2 THR 20 -17.076 3.888 9.258 184 H ILE 21 H ILE 21 -14.263 0.100 7.404 185 HA ILE 21 HA ILE 21 -12.080 1.649 6.391 186 HB ILE 21 HB ILE 21 -13.468 -0.793 5.279 187 1HG1 ILE 21 2HG1 ILE 21 -11.222 -1.827 5.946 188 2HG1 ILE 21 1HG1 ILE 21 -10.940 -0.348 6.861 189 1HG2 ILE 21 1HG2 ILE 21 -12.488 0.444 3.446 190 2HG2 ILE 21 2HG2 ILE 21 -11.527 -0.999 3.773 191 3HG2 ILE 21 3HG2 ILE 21 -10.960 0.579 4.319 192 1HD1 ILE 21 1HD1 ILE 21 -12.034 -2.528 7.919 193 2HD1 ILE 21 2HD1 ILE 21 -13.499 -1.735 7.343 194 3HD1 ILE 21 3HD1 ILE 21 -12.426 -0.898 8.464 195 H ASP 22 H ASP 22 -15.458 1.236 5.568 196 HA ASP 22 HA ASP 22 -15.492 2.274 2.989 197 1HB ASP 22 2HB ASP 22 -17.393 1.413 4.787 198 2HB ASP 22 1HB ASP 22 -17.766 3.126 4.631 199 H THR 23 H THR 23 -15.898 4.010 6.075 200 HA THR 23 HA THR 23 -16.111 6.579 4.934 201 HB THR 23 HB THR 23 -16.596 5.702 7.365 202 HG1 THR 23 1HG THR 23 -15.526 8.291 6.947 203 1HG2 THR 23 1HG2 THR 23 -13.842 6.848 7.743 204 2HG2 THR 23 2HG2 THR 23 -14.287 5.156 7.959 205 3HG2 THR 23 3HG2 THR 23 -14.976 6.390 9.013 206 H LEU 24 H LEU 24 -13.350 4.793 6.240 207 HA LEU 24 HA LEU 24 -11.401 6.764 5.989 208 1HB LEU 24 2HB LEU 24 -11.482 3.925 6.430 209 2HB LEU 24 1HB LEU 24 -10.175 4.312 5.327 210 HG LEU 24 HG LEU 24 -10.581 5.450 8.083 211 1HD1 LEU 24 1HD1 LEU 24 -8.977 3.244 6.969 212 2HD1 LEU 24 2HD1 LEU 24 -9.627 3.472 8.593 213 3HD1 LEU 24 3HD1 LEU 24 -8.151 4.308 8.108 214 1HD2 LEU 24 1HD2 LEU 24 -9.337 7.175 7.444 215 2HD2 LEU 24 2HD2 LEU 24 -9.147 6.493 5.829 216 3HD2 LEU 24 3HD2 LEU 24 -8.018 6.054 7.110 217 H GLU 25 H GLU 25 -12.843 4.688 3.589 218 HA GLU 25 HA GLU 25 -10.968 4.960 1.529 219 1HB GLU 25 2HB GLU 25 -12.985 3.436 1.554 220 2HB GLU 25 1HB GLU 25 -13.967 4.840 1.161 221 1HG GLU 25 2HG GLU 25 -11.632 4.182 -0.564 222 2HG GLU 25 1HG GLU 25 -13.108 3.227 -0.707 223 H ARG 26 H ARG 26 -13.629 7.030 2.549 224 HA ARG 26 HA ARG 26 -13.485 8.888 0.431 225 1HB ARG 26 2HB ARG 26 -15.431 8.779 1.883 226 2HB ARG 26 1HB ARG 26 -14.456 9.217 3.278 227 1HG ARG 26 2HG ARG 26 -14.133 11.211 1.262 228 2HG ARG 26 1HG ARG 26 -15.854 10.914 1.512 229 1HD ARG 26 2HD ARG 26 -14.872 10.980 4.075 230 2HD ARG 26 1HD ARG 26 -13.893 12.196 3.256 231 HE ARG 26 HE ARG 26 -16.714 12.428 2.742 232 1HH1 ARG 26 1HH1 ARG 26 -14.107 13.317 4.885 233 2HH1 ARG 26 2HH1 ARG 26 -14.915 14.727 5.485 234 1HH2 ARG 26 1HH2 ARG 26 -17.777 14.280 3.530 235 2HH2 ARG 26 2HH2 ARG 26 -16.999 15.272 4.716 236 H VAL 27 H VAL 27 -12.043 8.879 3.686 237 HA VAL 27 HA VAL 27 -10.626 11.319 3.274 238 HB VAL 27 HB VAL 27 -11.276 10.268 5.527 239 1HG1 VAL 27 1HG1 VAL 27 -10.303 8.405 6.232 240 2HG1 VAL 27 2HG1 VAL 27 -8.700 9.086 5.961 241 3HG1 VAL 27 3HG1 VAL 27 -9.534 8.250 4.655 242 1HG2 VAL 27 1HG2 VAL 27 -8.863 11.079 6.403 243 2HG2 VAL 27 2HG2 VAL 27 -10.141 12.179 5.888 244 3HG2 VAL 27 3HG2 VAL 27 -8.848 11.748 4.770 245 H ILE 28 H ILE 28 -10.043 8.018 2.501 246 HA ILE 28 HA ILE 28 -7.252 7.970 2.366 247 HB ILE 28 HB ILE 28 -9.309 6.195 1.780 248 1HG1 ILE 28 2HG1 ILE 28 -7.467 4.563 1.435 249 2HG1 ILE 28 1HG1 ILE 28 -6.330 5.906 1.357 250 1HG2 ILE 28 1HG2 ILE 28 -9.358 7.026 -0.540 251 2HG2 ILE 28 2HG2 ILE 28 -8.898 5.327 -0.433 252 3HG2 ILE 28 3HG2 ILE 28 -7.668 6.557 -0.721 253 1HD1 ILE 28 1HD1 ILE 28 -7.283 6.514 3.687 254 2HD1 ILE 28 2HD1 ILE 28 -6.124 5.193 3.536 255 3HD1 ILE 28 3HD1 ILE 28 -7.845 4.844 3.695 256 H GLU 29 H GLU 29 -9.684 9.080 0.083 257 HA GLU 29 HA GLU 29 -7.824 9.599 -2.033 258 1HB GLU 29 2HB GLU 29 -10.692 9.770 -1.621 259 2HB GLU 29 1HB GLU 29 -10.086 11.177 -2.483 260 1HG GLU 29 2HG GLU 29 -8.900 8.829 -3.584 261 2HG GLU 29 1HG GLU 29 -10.648 8.612 -3.498 262 H LYS 30 H LYS 30 -9.451 11.565 0.422 263 HA LYS 30 HA LYS 30 -8.451 14.058 -0.434 264 1HB LYS 30 2HB LYS 30 -10.270 13.275 1.419 265 2HB LYS 30 1HB LYS 30 -8.921 13.705 2.461 266 1HG LYS 30 2HG LYS 30 -10.056 15.692 2.341 267 2HG LYS 30 1HG LYS 30 -8.880 15.889 1.039 268 1HD LYS 30 2HD LYS 30 -11.354 14.588 0.188 269 2HD LYS 30 1HD LYS 30 -11.597 16.221 0.811 270 1HE LYS 30 2HE LYS 30 -11.073 16.862 -1.275 271 2HE LYS 30 1HE LYS 30 -9.411 16.572 -0.766 272 1HZ LYS 30 1HZ LYS 30 -10.107 14.133 -1.540 273 2HZ LYS 30 2HZ LYS 30 -9.414 15.268 -2.584 274 3HZ LYS 30 3HZ LYS 30 -11.090 15.040 -2.577 275 H ASN 31 H ASN 31 -7.300 11.787 2.047 276 HA ASN 31 HA ASN 31 -5.131 13.296 2.956 277 1HB ASN 31 2HB ASN 31 -6.206 10.901 3.649 278 2HB ASN 31 1HB ASN 31 -4.728 10.372 2.854 279 1HD2 ASN 31 1HD2 ASN 31 -6.038 11.236 5.733 280 2HD2 ASN 31 2HD2 ASN 31 -4.602 11.678 6.585 281 H LYS 32 H LYS 32 -5.458 11.172 0.182 282 HA LYS 32 HA LYS 32 -2.762 10.864 -0.482 283 1HB LYS 32 2HB LYS 32 -5.332 10.723 -1.980 284 2HB LYS 32 1HB LYS 32 -3.847 10.817 -2.916 285 1HG LYS 32 2HG LYS 32 -3.003 8.845 -1.656 286 2HG LYS 32 1HG LYS 32 -4.591 8.714 -0.898 287 1HD LYS 32 2HD LYS 32 -5.032 7.342 -2.629 288 2HD LYS 32 1HD LYS 32 -5.287 8.849 -3.510 289 1HE LYS 32 2HE LYS 32 -2.771 8.736 -4.019 290 2HE LYS 32 1HE LYS 32 -2.884 7.053 -3.506 291 1HZ LYS 32 1HZ LYS 32 -3.302 6.805 -5.706 292 2HZ LYS 32 2HZ LYS 32 -3.970 8.348 -5.888 293 3HZ LYS 32 3HZ LYS 32 -4.888 7.106 -5.199 294 H TYR 33 H TYR 33 -5.088 13.353 -1.480 295 HA TYR 33 HA TYR 33 -2.996 14.850 -2.830 296 1HB TYR 33 2HB TYR 33 -5.961 14.982 -2.691 297 2HB TYR 33 1HB TYR 33 -5.106 16.491 -2.999 298 HD1 TYR 33 1HD TYR 33 -3.143 16.178 -4.844 299 HD2 TYR 33 2HD TYR 33 -6.676 13.827 -4.544 300 HE1 TYR 33 1HE TYR 33 -2.940 15.580 -7.220 301 HE2 TYR 33 2HE TYR 33 -6.482 13.222 -6.920 302 HH TYR 33 HH TYR 33 -4.811 13.102 -8.659 303 H GLU 34 H GLU 34 -4.111 14.578 0.303 304 HA GLU 34 HA GLU 34 -4.007 17.322 1.093 305 1HB GLU 34 2HB GLU 34 -5.267 15.486 2.287 306 2HB GLU 34 1HB GLU 34 -3.716 14.901 2.872 307 1HG GLU 34 2HG GLU 34 -4.658 16.212 4.596 308 2HG GLU 34 1HG GLU 34 -3.349 17.159 3.888 309 H LEU 35 H LEU 35 -1.905 14.612 2.101 310 HA LEU 35 HA LEU 35 0.174 16.350 2.934 311 1HB LEU 35 2HB LEU 35 1.402 14.454 3.489 312 2HB LEU 35 1HB LEU 35 -0.246 13.998 3.766 313 HG LEU 35 HG LEU 35 1.742 12.782 2.055 314 1HD1 LEU 35 1HD1 LEU 35 -0.948 11.641 2.547 315 2HD1 LEU 35 2HD1 LEU 35 0.118 11.921 3.923 316 3HD1 LEU 35 3HD1 LEU 35 0.640 10.878 2.602 317 1HD2 LEU 35 1HD2 LEU 35 -0.205 12.095 0.411 318 2HD2 LEU 35 2HD2 LEU 35 0.845 13.473 0.086 319 3HD2 LEU 35 3HD2 LEU 35 -0.759 13.730 0.766 320 H SER 36 H SER 36 2.398 14.883 1.890 321 HA SER 36 HA SER 36 2.444 15.900 -0.872 322 1HB SER 36 2HB SER 36 3.848 17.230 0.707 323 2HB SER 36 1HB SER 36 4.778 15.774 1.056 324 HG SER 36 HG SER 36 4.461 16.857 -1.544 325 H ASP 37 H ASP 37 4.600 14.862 -1.923 326 HA ASP 37 HA ASP 37 3.986 12.170 -2.373 327 1HB ASP 37 2HB ASP 37 6.105 12.077 -3.611 328 2HB ASP 37 1HB ASP 37 5.205 13.541 -3.998 329 H ASN 38 H ASN 38 5.956 13.691 0.044 330 HA ASN 38 HA ASN 38 7.536 11.418 0.684 331 1HB ASN 38 2HB ASN 38 6.962 14.011 2.081 332 2HB ASN 38 1HB ASN 38 7.914 12.750 2.858 333 1HD2 ASN 38 1HD2 ASN 38 7.723 14.825 0.026 334 2HD2 ASN 38 2HD2 ASN 38 9.421 14.854 -0.294 335 H GLU 39 H GLU 39 4.626 12.816 2.246 336 HA GLU 39 HA GLU 39 4.545 10.625 4.120 337 1HB GLU 39 2HB GLU 39 2.085 12.170 3.924 338 2HB GLU 39 1HB GLU 39 3.123 11.888 5.305 339 1HG GLU 39 2HG GLU 39 4.665 13.642 4.245 340 2HG GLU 39 1HG GLU 39 3.265 14.062 3.260 341 H LEU 40 H LEU 40 3.112 11.439 1.064 342 HA LEU 40 HA LEU 40 0.930 9.695 1.049 343 1HB LEU 40 2HB LEU 40 1.325 11.429 -0.631 344 2HB LEU 40 1HB LEU 40 2.681 10.520 -1.264 345 HG LEU 40 HG LEU 40 0.085 9.099 -1.177 346 1HD1 LEU 40 1HD1 LEU 40 -0.936 10.214 -2.931 347 2HD1 LEU 40 2HD1 LEU 40 0.548 11.042 -3.403 348 3HD1 LEU 40 3HD1 LEU 40 -0.311 11.536 -1.945 349 1HD2 LEU 40 1HD2 LEU 40 1.584 7.785 -2.242 350 2HD2 LEU 40 2HD2 LEU 40 2.573 9.148 -2.766 351 3HD2 LEU 40 3HD2 LEU 40 1.093 8.746 -3.637 352 H ALA 41 H ALA 41 4.343 9.128 0.370 353 HA ALA 41 HA ALA 41 4.160 6.581 -0.756 354 1HB ALA 41 1HB ALA 41 6.454 6.232 0.073 355 2HB ALA 41 2HB ALA 41 6.301 7.676 1.073 356 3HB ALA 41 3HB ALA 41 6.260 7.813 -0.685 357 H VAL 42 H VAL 42 3.998 7.701 2.547 358 HA VAL 42 HA VAL 42 3.966 5.081 3.721 359 HB VAL 42 HB VAL 42 2.992 7.615 5.033 360 1HG1 VAL 42 1HG1 VAL 42 4.380 5.234 6.241 361 2HG1 VAL 42 2HG1 VAL 42 2.627 5.369 6.115 362 3HG1 VAL 42 3HG1 VAL 42 3.534 6.535 7.077 363 1HG2 VAL 42 1HG2 VAL 42 5.832 6.644 4.738 364 2HG2 VAL 42 2HG2 VAL 42 5.318 7.903 5.860 365 3HG2 VAL 42 3HG2 VAL 42 5.153 8.150 4.121 366 H PHE 43 H PHE 43 1.616 7.397 2.519 367 HA PHE 43 HA PHE 43 -0.642 6.117 3.743 368 1HB PHE 43 2HB PHE 43 -0.372 8.567 2.848 369 2HB PHE 43 1HB PHE 43 -0.878 7.859 1.318 370 HD1 PHE 43 1HD PHE 43 -3.130 7.523 0.864 371 HD2 PHE 43 2HD PHE 43 -1.880 8.200 4.876 372 HE1 PHE 43 1HE PHE 43 -5.481 7.679 1.567 373 HE2 PHE 43 2HE PHE 43 -4.231 8.356 5.586 374 HZ PHE 43 HZ PHE 43 -6.036 8.095 3.930 375 H TYR 44 H TYR 44 0.839 6.063 0.528 376 HA TYR 44 HA TYR 44 -1.113 4.426 -0.693 377 1HB TYR 44 2HB TYR 44 0.896 5.854 -1.684 378 2HB TYR 44 1HB TYR 44 1.725 4.303 -1.601 379 HD1 TYR 44 1HD TYR 44 0.606 2.306 -2.762 380 HD2 TYR 44 2HD TYR 44 -0.515 6.347 -3.479 381 HE1 TYR 44 1HE TYR 44 -0.433 1.634 -4.888 382 HE2 TYR 44 2HE TYR 44 -1.557 5.687 -5.606 383 HH TYR 44 HH TYR 44 -1.336 3.828 -7.266 384 H SER 45 H SER 45 2.034 3.660 0.771 385 HA SER 45 HA SER 45 1.860 0.869 0.319 386 1HB SER 45 2HB SER 45 3.817 0.678 1.641 387 2HB SER 45 1HB SER 45 3.954 2.246 0.844 388 HG SER 45 HG SER 45 3.125 3.182 2.789 389 H ALA 46 H ALA 46 1.165 2.888 3.157 390 HA ALA 46 HA ALA 46 0.428 0.762 4.863 391 1HB ALA 46 1HB ALA 46 1.047 2.948 5.728 392 2HB ALA 46 2HB ALA 46 -0.568 2.502 6.277 393 3HB ALA 46 3HB ALA 46 -0.371 3.668 4.968 394 H ALA 47 H ALA 47 -1.365 2.704 2.554 395 HA ALA 47 HA ALA 47 -3.944 1.773 3.366 396 1HB ALA 47 1HB ALA 47 -3.090 3.110 0.801 397 2HB ALA 47 2HB ALA 47 -3.671 3.924 2.255 398 3HB ALA 47 3HB ALA 47 -4.753 2.875 1.340 399 H ASP 48 H ASP 48 -1.467 0.586 1.258 400 HA ASP 48 HA ASP 48 -3.145 -1.105 -0.318 401 1HB ASP 48 2HB ASP 48 -0.399 -0.350 -0.281 402 2HB ASP 48 1HB ASP 48 -0.470 -2.108 -0.232 403 H HIS 49 H HIS 49 -0.915 -1.715 2.394 404 HA HIS 49 HA HIS 49 -1.312 -4.454 2.624 405 1HB HIS 49 2HB HIS 49 -0.401 -2.298 4.448 406 2HB HIS 49 1HB HIS 49 -0.898 -3.809 5.201 407 HD1 HIS 49 1HD HIS 49 0.240 -5.663 2.888 408 HD2 HIS 49 2HD HIS 49 2.308 -2.645 4.857 409 HE1 HIS 49 1HE HIS 49 2.674 -6.242 2.637 410 HE2 HIS 49 2HE HIS 49 3.901 -4.452 3.916 411 H ARG 50 H ARG 50 -3.025 -1.841 4.342 412 HA ARG 50 HA ARG 50 -4.768 -3.407 5.825 413 1HB ARG 50 2HB ARG 50 -6.191 -1.437 5.983 414 2HB ARG 50 1HB ARG 50 -4.500 -0.983 6.139 415 1HG ARG 50 2HG ARG 50 -4.475 -0.236 3.820 416 2HG ARG 50 1HG ARG 50 -6.166 -0.710 3.645 417 1HD ARG 50 2HD ARG 50 -5.181 1.307 5.657 418 2HD ARG 50 1HD ARG 50 -5.791 1.732 4.060 419 HE ARG 50 HE ARG 50 -7.938 1.224 4.756 420 1HH1 ARG 50 1HH1 ARG 50 -5.634 0.340 7.229 421 2HH1 ARG 50 2HH1 ARG 50 -6.843 0.128 8.450 422 1HH2 ARG 50 1HH2 ARG 50 -9.522 0.945 6.362 423 2HH2 ARG 50 2HH2 ARG 50 -9.048 0.470 7.959 424 H LEU 51 H LEU 51 -5.083 -2.244 2.501 425 HA LEU 51 HA LEU 51 -7.726 -3.271 2.146 426 1HB LEU 51 2HB LEU 51 -6.072 -1.536 0.771 427 2HB LEU 51 1HB LEU 51 -6.144 -2.933 -0.286 428 HG LEU 51 HG LEU 51 -8.799 -2.451 0.496 429 1HD1 LEU 51 1HD1 LEU 51 -7.229 0.015 0.392 430 2HD1 LEU 51 2HD1 LEU 51 -8.827 -0.289 1.071 431 3HD1 LEU 51 3HD1 LEU 51 -8.647 0.014 -0.657 432 1HD2 LEU 51 1HD2 LEU 51 -7.537 -3.117 -1.748 433 2HD2 LEU 51 2HD2 LEU 51 -7.809 -1.410 -2.096 434 3HD2 LEU 51 3HD2 LEU 51 -9.175 -2.468 -1.744 435 H ALA 52 H ALA 52 -4.500 -4.344 1.126 436 HA ALA 52 HA ALA 52 -5.252 -6.629 -0.280 437 1HB ALA 52 1HB ALA 52 -3.012 -7.220 -0.267 438 2HB ALA 52 2HB ALA 52 -2.741 -6.549 1.342 439 3HB ALA 52 3HB ALA 52 -2.951 -5.473 -0.039 440 H GLU 53 H GLU 53 -4.344 -6.310 3.145 441 HA GLU 53 HA GLU 53 -4.696 -9.028 3.804 442 1HB GLU 53 2HB GLU 53 -4.733 -8.228 6.144 443 2HB GLU 53 1HB GLU 53 -3.393 -7.573 5.215 444 1HG GLU 53 2HG GLU 53 -4.034 -5.630 6.122 445 2HG GLU 53 1HG GLU 53 -5.240 -5.645 4.837 446 H LEU 54 H LEU 54 -6.921 -6.359 3.555 447 HA LEU 54 HA LEU 54 -9.044 -7.460 5.058 448 1HB LEU 54 2HB LEU 54 -8.571 -5.132 3.482 449 2HB LEU 54 1HB LEU 54 -10.080 -5.848 2.952 450 HG LEU 54 HG LEU 54 -10.565 -5.915 5.556 451 1HD1 LEU 54 1HD1 LEU 54 -8.192 -4.933 5.888 452 2HD1 LEU 54 2HD1 LEU 54 -9.533 -4.291 6.837 453 3HD1 LEU 54 3HD1 LEU 54 -8.947 -3.406 5.429 454 1HD2 LEU 54 1HD2 LEU 54 -11.967 -4.118 5.234 455 2HD2 LEU 54 2HD2 LEU 54 -11.647 -4.610 3.571 456 3HD2 LEU 54 3HD2 LEU 54 -10.789 -3.234 4.264 457 H THR 55 H THR 55 -7.943 -7.964 1.794 458 HA THR 55 HA THR 55 -10.361 -9.256 0.920 459 HB THR 55 HB THR 55 -7.619 -9.205 -0.350 460 HG1 THR 55 1HG THR 55 -8.601 -7.136 -0.106 461 1HG2 THR 55 1HG2 THR 55 -9.581 -9.360 -2.315 462 2HG2 THR 55 2HG2 THR 55 -10.029 -10.569 -1.113 463 3HG2 THR 55 3HG2 THR 55 -8.428 -10.611 -1.851 464 H MET 56 H MET 56 -7.176 -10.292 2.048 465 HA MET 56 HA MET 56 -7.998 -13.091 1.794 466 1HB MET 56 2HB MET 56 -5.683 -12.020 1.076 467 2HB MET 56 1HB MET 56 -5.292 -12.323 2.761 468 1HG MET 56 2HG MET 56 -4.623 -14.310 1.977 469 2HG MET 56 1HG MET 56 -6.338 -14.705 2.094 470 1HE MET 56 1HE MET 56 -3.301 -14.296 0.177 471 2HE MET 56 2HE MET 56 -3.881 -12.948 -0.801 472 3HE MET 56 3HE MET 56 -3.703 -14.549 -1.521 473 H ASN 57 H ASN 57 -8.416 -10.806 4.033 474 HA ASN 57 HA ASN 57 -9.088 -10.937 6.206 475 1HB ASN 57 2HB ASN 57 -9.462 -13.484 5.450 476 2HB ASN 57 1HB ASN 57 -8.173 -13.730 6.624 477 1HD2 ASN 57 1HD2 ASN 57 -8.858 -14.160 8.580 478 2HD2 ASN 57 2HD2 ASN 57 -10.329 -13.604 9.296 479 H LYS 58 H LYS 58 -7.524 -9.514 6.864 480 HA LYS 58 HA LYS 58 -5.561 -8.746 7.766 481 1HB LYS 58 2HB LYS 58 -6.370 -11.058 9.509 482 2HB LYS 58 1HB LYS 58 -5.017 -10.018 9.923 483 1HG LYS 58 2HG LYS 58 -7.928 -9.325 9.754 484 2HG LYS 58 1HG LYS 58 -6.829 -9.162 11.122 485 1HD LYS 58 2HD LYS 58 -6.956 -7.491 8.623 486 2HD LYS 58 1HD LYS 58 -7.184 -6.974 10.293 487 1HE LYS 58 2HE LYS 58 -4.647 -8.095 10.269 488 2HE LYS 58 1HE LYS 58 -4.747 -7.225 8.737 489 1HZ LYS 58 1HZ LYS 58 -3.907 -5.915 10.685 490 2HZ LYS 58 2HZ LYS 58 -5.466 -5.993 11.336 491 3HZ LYS 58 3HZ LYS 58 -5.206 -5.216 9.856 492 H LEU 59 H LEU 59 -4.778 -10.091 5.550 493 HA LEU 59 HA LEU 59 -2.423 -11.601 6.482 494 1HB LEU 59 2HB LEU 59 -3.929 -13.060 5.271 495 2HB LEU 59 1HB LEU 59 -3.993 -11.931 3.933 496 HG LEU 59 HG LEU 59 -2.527 -14.037 3.702 497 1HD1 LEU 59 1HD1 LEU 59 -2.547 -11.743 2.386 498 2HD1 LEU 59 2HD1 LEU 59 -1.336 -12.986 2.074 499 3HD1 LEU 59 3HD1 LEU 59 -0.937 -11.605 3.095 500 1HD2 LEU 59 1HD2 LEU 59 -0.771 -12.317 5.445 501 2HD2 LEU 59 2HD2 LEU 59 -0.196 -13.684 4.491 502 3HD2 LEU 59 3HD2 LEU 59 -1.356 -13.943 5.793 503 H TYR 60 H TYR 60 -0.587 -10.520 6.212 504 HA TYR 60 HA TYR 60 -0.273 -8.873 3.812 505 1HB TYR 60 2HB TYR 60 1.261 -7.511 5.629 506 2HB TYR 60 1HB TYR 60 -0.339 -7.028 5.087 507 HD1 TYR 60 1HD TYR 60 -2.298 -8.262 6.431 508 HD2 TYR 60 2HD TYR 60 1.620 -7.542 7.908 509 HE1 TYR 60 1HE TYR 60 -3.150 -8.409 8.738 510 HE2 TYR 60 2HE TYR 60 0.787 -7.689 10.218 511 HH TYR 60 HH TYR 60 -1.364 -7.402 11.422 512 H ASP 61 H ASP 61 1.974 -8.414 3.253 513 HA ASP 61 HA ASP 61 4.162 -8.979 2.934 514 1HB ASP 61 2HB ASP 61 3.909 -9.408 5.593 515 2HB ASP 61 1HB ASP 61 4.268 -11.045 5.052 516 H LYS 62 H LYS 62 1.562 -10.820 2.457 517 HA LYS 62 HA LYS 62 3.066 -12.762 0.896 518 1HB LYS 62 2HB LYS 62 1.509 -13.401 3.295 519 2HB LYS 62 1HB LYS 62 1.061 -14.358 1.891 520 1HG LYS 62 2HG LYS 62 2.905 -15.591 2.021 521 2HG LYS 62 1HG LYS 62 3.936 -14.171 2.211 522 1HD LYS 62 2HD LYS 62 2.266 -14.936 4.534 523 2HD LYS 62 1HD LYS 62 3.613 -16.004 4.134 524 1HE LYS 62 2HE LYS 62 4.337 -13.183 4.073 525 2HE LYS 62 1HE LYS 62 3.754 -13.708 5.651 526 1HZ LYS 62 1HZ LYS 62 5.512 -15.084 5.948 527 2HZ LYS 62 2HZ LYS 62 6.265 -13.960 4.932 528 3HZ LYS 62 3HZ LYS 62 5.694 -15.421 4.300 529 H ILE 63 H ILE 63 0.833 -10.445 0.831 530 HA ILE 63 HA ILE 63 -1.393 -11.597 -0.449 531 HB ILE 63 HB ILE 63 -0.289 -8.790 -0.676 532 1HG1 ILE 63 2HG1 ILE 63 -2.743 -8.884 0.739 533 2HG1 ILE 63 1HG1 ILE 63 -1.740 -10.179 1.388 534 1HG2 ILE 63 1HG2 ILE 63 -3.103 -8.949 -1.176 535 2HG2 ILE 63 2HG2 ILE 63 -2.256 -10.038 -2.272 536 3HG2 ILE 63 3HG2 ILE 63 -1.823 -8.331 -2.219 537 1HD1 ILE 63 1HD1 ILE 63 0.016 -8.602 1.901 538 2HD1 ILE 63 2HD1 ILE 63 -1.504 -8.072 2.627 539 3HD1 ILE 63 3HD1 ILE 63 -0.907 -7.296 1.156 540 HA PRO 64 HA PRO 64 0.852 -12.744 -4.204 541 1HB PRO 64 2HB PRO 64 -1.851 -13.587 -5.056 542 2HB PRO 64 1HB PRO 64 -0.355 -14.523 -4.973 543 1HG PRO 64 2HG PRO 64 -2.331 -14.911 -3.214 544 2HG PRO 64 1HG PRO 64 -0.628 -15.012 -2.728 545 1HD PRO 64 2HD PRO 64 -2.591 -12.787 -2.318 546 2HD PRO 64 1HD PRO 64 -1.362 -13.427 -1.203 547 H SER 65 H SER 65 0.145 -12.527 -6.641 548 HA SER 65 HA SER 65 -0.422 -9.726 -7.039 549 1HB SER 65 2HB SER 65 0.662 -11.949 -8.666 550 2HB SER 65 1HB SER 65 -0.220 -10.707 -9.554 551 HG SER 65 HG SER 65 1.170 -9.161 -8.508 552 H SER 66 H SER 66 -1.898 -12.815 -7.981 553 HA SER 66 HA SER 66 -4.012 -11.869 -9.495 554 1HB SER 66 2HB SER 66 -4.526 -14.149 -7.640 555 2HB SER 66 1HB SER 66 -4.887 -13.995 -9.359 556 HG SER 66 HG SER 66 -2.499 -14.068 -9.609 557 H VAL 67 H VAL 67 -3.866 -12.352 -5.978 558 HA VAL 67 HA VAL 67 -6.508 -11.637 -5.392 559 HB VAL 67 HB VAL 67 -4.119 -11.113 -3.621 560 1HG1 VAL 67 1HG1 VAL 67 -5.995 -11.799 -1.912 561 2HG1 VAL 67 2HG1 VAL 67 -7.065 -11.260 -3.205 562 3HG1 VAL 67 3HG1 VAL 67 -5.883 -10.147 -2.517 563 1HG2 VAL 67 1HG2 VAL 67 -5.132 -13.479 -2.762 564 2HG2 VAL 67 2HG2 VAL 67 -3.749 -13.321 -3.845 565 3HG2 VAL 67 3HG2 VAL 67 -5.355 -13.627 -4.505 566 H TRP 68 H TRP 68 -3.566 -9.626 -5.227 567 HA TRP 68 HA TRP 68 -4.853 -7.212 -4.627 568 1HB TRP 68 2HB TRP 68 -2.210 -8.078 -5.165 569 2HB TRP 68 1HB TRP 68 -2.530 -6.729 -6.247 570 HD1 TRP 68 HD TRP 68 -0.590 -6.829 -3.548 571 HE1 TRP 68 1HE TRP 68 -0.893 -4.925 -1.846 572 HE3 TRP 68 3HE TRP 68 -5.266 -5.261 -4.898 573 HZ2 TRP 68 2HZ TRP 68 -2.851 -3.013 -1.165 574 HZ3 TRP 68 3HZ TRP 68 -6.282 -3.389 -3.671 575 HH2 TRP 68 HH TRP 68 -5.098 -2.288 -1.840 576 H LYS 69 H LYS 69 -3.934 -8.643 -7.732 577 HA LYS 69 HA LYS 69 -4.666 -6.538 -9.406 578 1HB LYS 69 2HB LYS 69 -3.571 -8.947 -9.837 579 2HB LYS 69 1HB LYS 69 -5.214 -9.299 -10.351 580 1HG LYS 69 2HG LYS 69 -4.580 -8.522 -12.337 581 2HG LYS 69 1HG LYS 69 -4.698 -6.920 -11.608 582 1HD LYS 69 2HD LYS 69 -2.411 -6.750 -11.301 583 2HD LYS 69 1HD LYS 69 -2.174 -8.498 -11.328 584 1HE LYS 69 2HE LYS 69 -3.043 -6.916 -13.736 585 2HE LYS 69 1HE LYS 69 -1.352 -7.238 -13.355 586 1HZ LYS 69 1HZ LYS 69 -1.726 -9.568 -13.557 587 2HZ LYS 69 2HZ LYS 69 -2.359 -8.831 -14.942 588 3HZ LYS 69 3HZ LYS 69 -3.397 -9.357 -13.716 589 H PHE 70 H PHE 70 -6.621 -8.994 -7.854 590 HA PHE 70 HA PHE 70 -8.985 -8.538 -9.366 591 1HB PHE 70 2HB PHE 70 -8.336 -9.945 -6.809 592 2HB PHE 70 1HB PHE 70 -10.021 -9.607 -7.189 593 HD1 PHE 70 1HD PHE 70 -10.396 -10.104 -9.920 594 HD2 PHE 70 2HD PHE 70 -7.782 -12.120 -7.234 595 HE1 PHE 70 1HE PHE 70 -10.475 -12.103 -11.351 596 HE2 PHE 70 2HE PHE 70 -7.857 -14.124 -8.660 597 HZ PHE 70 HZ PHE 70 -9.204 -14.116 -10.722 598 H ILE 71 H ILE 71 -7.954 -7.462 -6.133 599 HA ILE 71 HA ILE 71 -10.197 -5.598 -6.032 600 HB ILE 71 HB ILE 71 -9.669 -6.941 -4.026 601 1HG1 ILE 71 2HG1 ILE 71 -9.083 -4.065 -3.377 602 2HG1 ILE 71 1HG1 ILE 71 -10.648 -4.537 -4.031 603 1HG2 ILE 71 1HG2 ILE 71 -7.104 -6.655 -4.554 604 2HG2 ILE 71 2HG2 ILE 71 -7.678 -6.887 -2.904 605 3HG2 ILE 71 3HG2 ILE 71 -7.272 -5.269 -3.477 606 1HD1 ILE 71 1HD1 ILE 71 -10.673 -4.385 -1.595 607 2HD1 ILE 71 2HD1 ILE 71 -9.415 -5.618 -1.508 608 3HD1 ILE 71 3HD1 ILE 71 -11.006 -6.025 -2.152 609 H ARG 72 H ARG 72 -9.984 -3.596 -6.758 610 HA ARG 72 HA ARG 72 -7.662 -2.016 -6.160 611 1HB ARG 72 2HB ARG 72 -7.310 -1.433 -8.621 612 2HB ARG 72 1HB ARG 72 -6.692 -2.985 -8.072 613 1HG ARG 72 2HG ARG 72 -8.566 -4.133 -9.050 614 2HG ARG 72 1HG ARG 72 -9.319 -2.598 -9.488 615 1HD ARG 72 2HD ARG 72 -6.923 -2.299 -10.673 616 2HD ARG 72 1HD ARG 72 -7.085 -4.052 -10.758 617 HE ARG 72 HE ARG 72 -9.470 -3.173 -11.675 618 1HH1 ARG 72 1HH1 ARG 72 -6.169 -2.420 -12.521 619 2HH1 ARG 72 2HH1 ARG 72 -6.541 -2.070 -14.175 620 1HH2 ARG 72 1HH2 ARG 72 -9.961 -2.714 -13.852 621 2HH2 ARG 72 2HH2 ARG 72 -8.693 -2.236 -14.931 Start of MODEL 5 1 1H MET 1 1HT MET 1 14.752 3.985 17.357 2 2H MET 1 2HT MET 1 13.738 2.629 17.084 3 3H MET 1 3HT MET 1 13.063 4.112 17.616 4 HA MET 1 HA MET 1 14.020 5.087 15.525 5 1HB MET 1 2HB MET 1 14.418 3.528 13.731 6 2HB MET 1 1HB MET 1 15.429 3.072 15.094 7 1HG MET 1 2HG MET 1 13.132 1.609 15.497 8 2HG MET 1 1HG MET 1 13.330 1.587 13.745 9 1HE MET 1 1HE MET 1 16.205 -0.493 12.958 10 2HE MET 1 2HE MET 1 14.954 0.656 12.481 11 3HE MET 1 3HE MET 1 14.505 -0.961 13.026 12 H SER 2 H SER 2 11.772 2.630 16.566 13 HA SER 2 HA SER 2 9.823 3.012 14.547 14 1HB SER 2 2HB SER 2 9.079 2.159 17.323 15 2HB SER 2 1HB SER 2 8.476 1.569 15.775 16 HG SER 2 HG SER 2 10.167 0.332 17.166 17 H GLU 3 H GLU 3 9.757 5.334 14.392 18 HA GLU 3 HA GLU 3 7.553 6.483 15.651 19 1HB GLU 3 2HB GLU 3 8.845 6.580 17.675 20 2HB GLU 3 1HB GLU 3 10.215 7.289 16.832 21 1HG GLU 3 2HG GLU 3 9.420 9.347 17.078 22 2HG GLU 3 1HG GLU 3 7.816 8.878 16.517 23 H LYS 4 H LYS 4 10.309 8.600 15.376 24 HA LYS 4 HA LYS 4 10.750 10.310 13.937 25 1HB LYS 4 2HB LYS 4 9.843 8.545 11.684 26 2HB LYS 4 1HB LYS 4 11.176 9.689 11.722 27 1HG LYS 4 2HG LYS 4 11.171 7.179 13.367 28 2HG LYS 4 1HG LYS 4 11.777 7.233 11.711 29 1HD LYS 4 2HD LYS 4 13.722 8.031 12.433 30 2HD LYS 4 1HD LYS 4 12.902 9.418 13.151 31 1HE LYS 4 2HE LYS 4 12.351 7.479 14.970 32 2HE LYS 4 1HE LYS 4 13.942 6.972 14.406 33 1HZ LYS 4 1HZ LYS 4 14.892 8.986 15.081 34 2HZ LYS 4 2HZ LYS 4 13.871 8.555 16.358 35 3HZ LYS 4 3HZ LYS 4 13.394 9.751 15.261 36 HA PRO 5 HA PRO 5 7.225 12.650 12.702 37 1HB PRO 5 2HB PRO 5 8.161 13.000 9.920 38 2HB PRO 5 1HB PRO 5 7.873 14.214 11.170 39 1HG PRO 5 2HG PRO 5 10.355 13.559 10.415 40 2HG PRO 5 1HG PRO 5 9.971 13.943 12.103 41 1HD PRO 5 2HD PRO 5 10.375 11.270 10.812 42 2HD PRO 5 1HD PRO 5 10.931 11.852 12.396 43 H LEU 6 H LEU 6 6.131 10.431 12.771 44 HA LEU 6 HA LEU 6 4.529 9.032 11.977 45 1HB LEU 6 2HB LEU 6 4.365 11.226 9.924 46 2HB LEU 6 1HB LEU 6 3.311 9.826 9.876 47 HG LEU 6 HG LEU 6 2.212 11.741 10.925 48 1HD1 LEU 6 1HD1 LEU 6 1.313 10.606 12.789 49 2HD1 LEU 6 2HD1 LEU 6 2.795 9.685 13.039 50 3HD1 LEU 6 3HD1 LEU 6 1.778 9.354 11.637 51 1HD2 LEU 6 1HD2 LEU 6 4.598 12.408 11.941 52 2HD2 LEU 6 2HD2 LEU 6 3.905 11.590 13.342 53 3HD2 LEU 6 3HD2 LEU 6 3.070 12.966 12.622 54 H THR 7 H THR 7 6.117 7.398 11.614 55 HA THR 7 HA THR 7 7.249 7.119 8.963 56 HB THR 7 HB THR 7 7.943 4.819 10.074 57 HG1 THR 7 1HG THR 7 7.619 6.411 12.383 58 1HG2 THR 7 1HG2 THR 7 9.114 7.450 10.115 59 2HG2 THR 7 2HG2 THR 7 9.880 5.875 9.916 60 3HG2 THR 7 3HG2 THR 7 9.581 6.512 11.533 61 H LYS 8 H LYS 8 7.160 4.660 8.174 62 HA LYS 8 HA LYS 8 4.678 4.243 7.044 63 1HB LYS 8 2HB LYS 8 5.512 1.809 6.791 64 2HB LYS 8 1HB LYS 8 6.425 3.097 6.018 65 1HG LYS 8 2HG LYS 8 7.320 2.526 8.732 66 2HG LYS 8 1HG LYS 8 7.454 1.145 7.642 67 1HD LYS 8 2HD LYS 8 9.153 2.070 6.513 68 2HD LYS 8 1HD LYS 8 8.353 3.641 6.433 69 1HE LYS 8 2HE LYS 8 9.974 4.314 7.827 70 2HE LYS 8 1HE LYS 8 9.032 3.493 9.071 71 1HZ LYS 8 1HZ LYS 8 11.537 2.702 7.812 72 2HZ LYS 8 2HZ LYS 8 10.446 1.458 8.165 73 3HZ LYS 8 3HZ LYS 8 11.002 2.470 9.401 74 H THR 9 H THR 9 5.887 3.165 10.144 75 HA THR 9 HA THR 9 3.688 1.374 10.630 76 HB THR 9 HB THR 9 4.728 1.686 13.075 77 HG1 THR 9 1HG THR 9 6.925 2.166 12.904 78 1HG2 THR 9 1HG2 THR 9 4.803 -0.433 12.005 79 2HG2 THR 9 2HG2 THR 9 6.441 -0.032 12.521 80 3HG2 THR 9 3HG2 THR 9 5.983 0.140 10.827 81 H ASP 10 H ASP 10 4.531 4.684 11.463 82 HA ASP 10 HA ASP 10 2.602 5.159 13.427 83 1HB ASP 10 2HB ASP 10 4.041 6.928 11.476 84 2HB ASP 10 1HB ASP 10 2.784 7.592 12.515 85 H TYR 11 H TYR 11 2.420 5.718 9.913 86 HA TYR 11 HA TYR 11 -0.285 6.589 9.966 87 1HB TYR 11 2HB TYR 11 1.768 6.085 7.954 88 2HB TYR 11 1HB TYR 11 0.157 5.649 7.398 89 HD1 TYR 11 1HD TYR 11 -0.363 7.329 5.858 90 HD2 TYR 11 2HD TYR 11 1.144 8.415 9.685 91 HE1 TYR 11 1HE TYR 11 -0.838 9.691 5.368 92 HE2 TYR 11 2HE TYR 11 0.674 10.780 9.206 93 HH TYR 11 HH TYR 11 -0.204 11.879 6.057 94 H LEU 12 H LEU 12 1.220 3.525 8.951 95 HA LEU 12 HA LEU 12 -1.107 2.143 8.314 96 1HB LEU 12 2HB LEU 12 1.370 1.484 8.003 97 2HB LEU 12 1HB LEU 12 1.244 0.806 9.615 98 HG LEU 12 HG LEU 12 -0.613 0.007 7.382 99 1HD1 LEU 12 1HD1 LEU 12 0.817 -1.572 6.619 100 2HD1 LEU 12 2HD1 LEU 12 1.603 -1.777 8.184 101 3HD1 LEU 12 3HD1 LEU 12 2.016 -0.399 7.164 102 1HD2 LEU 12 1HD2 LEU 12 -0.447 -2.104 9.019 103 2HD2 LEU 12 2HD2 LEU 12 -1.628 -0.811 9.231 104 3HD2 LEU 12 3HD2 LEU 12 -0.142 -0.815 10.182 105 H MET 13 H MET 13 0.499 2.531 11.439 106 HA MET 13 HA MET 13 -1.161 0.737 12.865 107 1HB MET 13 2HB MET 13 0.612 3.020 13.706 108 2HB MET 13 1HB MET 13 -0.344 2.121 14.875 109 1HG MET 13 2HG MET 13 1.316 0.522 13.034 110 2HG MET 13 1HG MET 13 2.173 1.496 14.228 111 1HE MET 13 1HE MET 13 -0.477 -1.305 13.631 112 2HE MET 13 2HE MET 13 -1.394 -0.175 14.628 113 3HE MET 13 3HE MET 13 -0.936 -1.751 15.275 114 H ARG 14 H ARG 14 -1.306 4.233 12.327 115 HA ARG 14 HA ARG 14 -3.651 4.583 13.936 116 1HB ARG 14 2HB ARG 14 -2.027 6.319 12.124 117 2HB ARG 14 1HB ARG 14 -3.642 6.845 12.579 118 1HG ARG 14 2HG ARG 14 -2.945 6.525 14.979 119 2HG ARG 14 1HG ARG 14 -1.298 6.315 14.381 120 1HD ARG 14 2HD ARG 14 -1.741 8.562 13.154 121 2HD ARG 14 1HD ARG 14 -3.039 8.747 14.332 122 HE ARG 14 HE ARG 14 -0.873 8.139 15.850 123 1HH1 ARG 14 1HH1 ARG 14 -1.520 10.563 13.425 124 2HH1 ARG 14 2HH1 ARG 14 -0.444 11.727 14.123 125 1HH2 ARG 14 1HH2 ARG 14 0.543 9.668 16.769 126 2HH2 ARG 14 2HH2 ARG 14 0.728 11.219 16.021 127 H LEU 15 H LEU 15 -2.998 3.859 10.600 128 HA LEU 15 HA LEU 15 -5.409 4.651 9.429 129 1HB LEU 15 2HB LEU 15 -3.129 3.035 8.716 130 2HB LEU 15 1HB LEU 15 -4.604 2.285 8.137 131 HG LEU 15 HG LEU 15 -4.178 5.188 7.597 132 1HD1 LEU 15 1HD1 LEU 15 -2.837 4.789 5.688 133 2HD1 LEU 15 2HD1 LEU 15 -2.993 3.040 5.857 134 3HD1 LEU 15 3HD1 LEU 15 -2.053 3.959 7.032 135 1HD2 LEU 15 1HD2 LEU 15 -5.199 3.285 5.586 136 2HD2 LEU 15 2HD2 LEU 15 -5.766 4.898 6.017 137 3HD2 LEU 15 3HD2 LEU 15 -6.195 3.514 7.022 138 H ARG 16 H ARG 16 -4.508 1.623 11.026 139 HA ARG 16 HA ARG 16 -6.963 0.295 10.505 140 1HB ARG 16 2HB ARG 16 -6.203 -1.284 12.277 141 2HB ARG 16 1HB ARG 16 -5.008 -1.007 11.017 142 1HG ARG 16 2HG ARG 16 -3.662 0.292 12.417 143 2HG ARG 16 1HG ARG 16 -4.960 0.532 13.587 144 1HD ARG 16 2HD ARG 16 -4.728 -2.190 13.539 145 2HD ARG 16 1HD ARG 16 -3.057 -1.675 13.305 146 HE ARG 16 HE ARG 16 -3.883 -0.163 15.389 147 1HH1 ARG 16 1HH1 ARG 16 -3.968 -3.593 14.752 148 2HH1 ARG 16 2HH1 ARG 16 -3.846 -4.033 16.423 149 1HH2 ARG 16 1HH2 ARG 16 -3.721 -0.739 17.586 150 2HH2 ARG 16 2HH2 ARG 16 -3.706 -2.413 18.031 151 H ARG 17 H ARG 17 -5.993 2.651 12.823 152 HA ARG 17 HA ARG 17 -7.691 2.123 14.957 153 1HB ARG 17 2HB ARG 17 -5.909 4.111 14.309 154 2HB ARG 17 1HB ARG 17 -7.443 4.970 14.298 155 1HG ARG 17 2HG ARG 17 -7.829 4.577 16.547 156 2HG ARG 17 1HG ARG 17 -6.719 3.205 16.599 157 1HD ARG 17 2HD ARG 17 -4.859 4.541 16.750 158 2HD ARG 17 1HD ARG 17 -5.635 5.898 15.935 159 HE ARG 17 HE ARG 17 -6.913 5.465 18.393 160 1HH1 ARG 17 1HH1 ARG 17 -3.855 6.578 17.134 161 2HH1 ARG 17 2HH1 ARG 17 -3.530 7.606 18.488 162 1HH2 ARG 17 1HH2 ARG 17 -6.486 6.816 20.177 163 2HH2 ARG 17 2HH2 ARG 17 -5.022 7.740 20.217 164 H CYS 18 H CYS 18 -8.436 3.248 11.781 165 HA CYS 18 HA CYS 18 -10.744 4.701 12.095 166 1HB CYS 18 2HB CYS 18 -11.387 3.962 9.873 167 2HB CYS 18 1HB CYS 18 -9.650 4.241 9.922 168 HG CYS 18 HG CYS 18 -10.529 1.902 8.748 169 H GLN 19 H GLN 19 -13.006 3.863 11.439 170 HA GLN 19 HA GLN 19 -13.646 1.643 13.247 171 1HB GLN 19 2HB GLN 19 -14.710 4.150 13.134 172 2HB GLN 19 1HB GLN 19 -15.856 3.252 12.147 173 1HG GLN 19 2HG GLN 19 -16.837 2.922 14.146 174 2HG GLN 19 1HG GLN 19 -15.698 1.579 14.214 175 1HE2 GLN 19 1HE2 GLN 19 -13.531 2.172 15.173 176 2HE2 GLN 19 2HE2 GLN 19 -13.555 3.176 16.579 177 H THR 20 H THR 20 -14.050 2.787 9.955 178 HA THR 20 HA THR 20 -14.677 0.083 9.109 179 HB THR 20 HB THR 20 -16.878 1.137 9.590 180 HG1 THR 20 1HG THR 20 -16.395 0.670 6.838 181 1HG2 THR 20 1HG2 THR 20 -15.807 3.247 7.869 182 2HG2 THR 20 2HG2 THR 20 -17.058 3.311 9.109 183 3HG2 THR 20 3HG2 THR 20 -17.451 2.735 7.489 184 H ILE 21 H ILE 21 -14.557 -0.180 6.763 185 HA ILE 21 HA ILE 21 -12.353 1.286 5.684 186 HB ILE 21 HB ILE 21 -14.134 -0.731 4.313 187 1HG1 ILE 21 2HG1 ILE 21 -13.138 -1.738 6.269 188 2HG1 ILE 21 1HG1 ILE 21 -12.292 -2.329 4.842 189 1HG2 ILE 21 1HG2 ILE 21 -12.256 -1.025 2.778 190 2HG2 ILE 21 2HG2 ILE 21 -11.368 0.248 3.617 191 3HG2 ILE 21 3HG2 ILE 21 -12.857 0.633 2.753 192 1HD1 ILE 21 1HD1 ILE 21 -10.790 -1.799 6.713 193 2HD1 ILE 21 2HD1 ILE 21 -11.310 -0.116 6.626 194 3HD1 ILE 21 3HD1 ILE 21 -10.448 -0.845 5.270 195 H ASP 22 H ASP 22 -15.822 1.177 5.037 196 HA ASP 22 HA ASP 22 -15.939 2.627 2.687 197 1HB ASP 22 2HB ASP 22 -17.801 2.088 4.921 198 2HB ASP 22 1HB ASP 22 -18.199 3.474 3.909 199 H THR 23 H THR 23 -16.089 3.912 6.017 200 HA THR 23 HA THR 23 -16.159 6.625 5.164 201 HB THR 23 HB THR 23 -16.029 5.166 7.726 202 HG1 THR 23 1HG THR 23 -17.367 7.456 6.748 203 1HG2 THR 23 1HG2 THR 23 -15.492 7.152 9.049 204 2HG2 THR 23 2HG2 THR 23 -15.019 7.995 7.574 205 3HG2 THR 23 3HG2 THR 23 -14.113 6.580 8.111 206 H LEU 24 H LEU 24 -13.611 4.350 5.851 207 HA LEU 24 HA LEU 24 -11.534 6.307 6.086 208 1HB LEU 24 2HB LEU 24 -11.515 3.918 6.988 209 2HB LEU 24 1HB LEU 24 -11.166 3.411 5.347 210 HG LEU 24 HG LEU 24 -9.440 5.315 6.931 211 1HD1 LEU 24 1HD1 LEU 24 -9.655 2.431 7.017 212 2HD1 LEU 24 2HD1 LEU 24 -8.723 3.527 8.038 213 3HD1 LEU 24 3HD1 LEU 24 -8.046 2.952 6.514 214 1HD2 LEU 24 1HD2 LEU 24 -8.756 5.775 4.829 215 2HD2 LEU 24 2HD2 LEU 24 -9.403 4.272 4.173 216 3HD2 LEU 24 3HD2 LEU 24 -7.857 4.270 5.021 217 H GLU 25 H GLU 25 -12.886 4.380 3.460 218 HA GLU 25 HA GLU 25 -10.906 4.806 1.539 219 1HB GLU 25 2HB GLU 25 -13.018 3.319 1.435 220 2HB GLU 25 1HB GLU 25 -13.839 4.763 0.858 221 1HG GLU 25 2HG GLU 25 -11.329 4.051 -0.516 222 2HG GLU 25 1HG GLU 25 -12.693 2.962 -0.755 223 H ARG 26 H ARG 26 -13.475 6.866 2.695 224 HA ARG 26 HA ARG 26 -13.387 8.809 0.650 225 1HB ARG 26 2HB ARG 26 -15.254 8.689 2.208 226 2HB ARG 26 1HB ARG 26 -14.187 9.050 3.557 227 1HG ARG 26 2HG ARG 26 -13.725 11.262 2.529 228 2HG ARG 26 1HG ARG 26 -14.929 10.890 1.292 229 1HD ARG 26 2HD ARG 26 -16.363 10.374 3.508 230 2HD ARG 26 1HD ARG 26 -15.278 11.615 4.134 231 HE ARG 26 HE ARG 26 -17.432 11.977 2.274 232 1HH1 ARG 26 1HH1 ARG 26 -14.376 13.254 3.373 233 2HH1 ARG 26 2HH1 ARG 26 -14.714 14.866 2.835 234 1HH2 ARG 26 1HH2 ARG 26 -17.879 14.095 1.567 235 2HH2 ARG 26 2HH2 ARG 26 -16.702 15.343 1.810 236 H VAL 27 H VAL 27 -11.495 8.283 3.559 237 HA VAL 27 HA VAL 27 -10.155 10.821 3.343 238 HB VAL 27 HB VAL 27 -10.563 9.657 5.540 239 1HG1 VAL 27 1HG1 VAL 27 -9.948 7.507 5.611 240 2HG1 VAL 27 2HG1 VAL 27 -8.338 8.146 5.937 241 3HG1 VAL 27 3HG1 VAL 27 -8.789 7.686 4.297 242 1HG2 VAL 27 1HG2 VAL 27 -9.168 11.391 5.895 243 2HG2 VAL 27 2HG2 VAL 27 -8.061 10.902 4.612 244 3HG2 VAL 27 3HG2 VAL 27 -7.994 10.106 6.184 245 H ILE 28 H ILE 28 -9.644 7.583 2.205 246 HA ILE 28 HA ILE 28 -6.880 7.647 1.753 247 HB ILE 28 HB ILE 28 -8.931 6.291 -0.005 248 1HG1 ILE 28 2HG1 ILE 28 -7.566 5.315 2.513 249 2HG1 ILE 28 1HG1 ILE 28 -9.284 5.625 2.303 250 1HG2 ILE 28 1HG2 ILE 28 -7.248 5.233 -1.045 251 2HG2 ILE 28 2HG2 ILE 28 -6.319 5.037 0.440 252 3HG2 ILE 28 3HG2 ILE 28 -6.259 6.563 -0.441 253 1HD1 ILE 28 1HD1 ILE 28 -7.669 3.309 1.505 254 2HD1 ILE 28 2HD1 ILE 28 -8.887 3.833 0.341 255 3HD1 ILE 28 3HD1 ILE 28 -9.363 3.408 1.985 256 H GLU 29 H GLU 29 -9.594 8.809 -0.173 257 HA GLU 29 HA GLU 29 -7.980 9.606 -2.400 258 1HB GLU 29 2HB GLU 29 -10.830 9.781 -1.631 259 2HB GLU 29 1HB GLU 29 -10.256 11.044 -2.712 260 1HG GLU 29 2HG GLU 29 -9.341 9.192 -4.171 261 2HG GLU 29 1HG GLU 29 -10.273 8.079 -3.169 262 H LYS 30 H LYS 30 -9.414 11.262 0.382 263 HA LYS 30 HA LYS 30 -8.621 13.872 -0.400 264 1HB LYS 30 2HB LYS 30 -10.269 12.875 1.519 265 2HB LYS 30 1HB LYS 30 -8.879 13.337 2.490 266 1HG LYS 30 2HG LYS 30 -9.187 15.557 2.129 267 2HG LYS 30 1HG LYS 30 -9.881 15.313 0.526 268 1HD LYS 30 2HD LYS 30 -11.771 15.919 1.649 269 2HD LYS 30 1HD LYS 30 -11.813 14.181 1.951 270 1HE LYS 30 2HE LYS 30 -10.773 14.503 4.118 271 2HE LYS 30 1HE LYS 30 -10.615 16.232 3.811 272 1HZ LYS 30 1HZ LYS 30 -12.516 16.164 5.057 273 2HZ LYS 30 2HZ LYS 30 -13.019 14.670 4.443 274 3HZ LYS 30 3HZ LYS 30 -13.182 16.066 3.504 275 H ASN 31 H ASN 31 -7.202 11.519 1.864 276 HA ASN 31 HA ASN 31 -5.018 13.141 2.619 277 1HB ASN 31 2HB ASN 31 -5.746 10.277 2.909 278 2HB ASN 31 1HB ASN 31 -4.043 10.685 3.087 279 1HD2 ASN 31 1HD2 ASN 31 -3.683 10.572 5.195 280 2HD2 ASN 31 2HD2 ASN 31 -4.578 11.409 6.411 281 H LYS 32 H LYS 32 -5.545 10.949 -0.049 282 HA LYS 32 HA LYS 32 -2.901 10.545 -0.861 283 1HB LYS 32 2HB LYS 32 -5.567 10.224 -2.028 284 2HB LYS 32 1HB LYS 32 -4.328 10.589 -3.222 285 1HG LYS 32 2HG LYS 32 -3.107 8.672 -1.712 286 2HG LYS 32 1HG LYS 32 -4.794 8.155 -1.677 287 1HD LYS 32 2HD LYS 32 -3.790 8.998 -4.312 288 2HD LYS 32 1HD LYS 32 -3.048 7.538 -3.654 289 1HE LYS 32 2HE LYS 32 -5.008 6.354 -3.706 290 2HE LYS 32 1HE LYS 32 -6.009 7.795 -3.543 291 1HZ LYS 32 1HZ LYS 32 -6.370 7.400 -5.717 292 2HZ LYS 32 2HZ LYS 32 -4.925 6.550 -5.935 293 3HZ LYS 32 3HZ LYS 32 -4.915 8.241 -5.916 294 H TYR 33 H TYR 33 -5.222 13.058 -1.846 295 HA TYR 33 HA TYR 33 -3.180 14.411 -3.399 296 1HB TYR 33 2HB TYR 33 -6.026 14.336 -3.399 297 2HB TYR 33 1HB TYR 33 -5.533 16.006 -3.137 298 HD1 TYR 33 1HD TYR 33 -3.511 16.754 -4.752 299 HD2 TYR 33 2HD TYR 33 -6.322 13.671 -5.582 300 HE1 TYR 33 1HE TYR 33 -3.064 17.003 -7.157 301 HE2 TYR 33 2HE TYR 33 -5.882 13.910 -7.990 302 HH TYR 33 HH TYR 33 -3.256 15.520 -9.227 303 H GLU 34 H GLU 34 -3.892 14.326 -0.176 304 HA GLU 34 HA GLU 34 -3.669 17.134 0.407 305 1HB GLU 34 2HB GLU 34 -4.054 14.649 1.938 306 2HB GLU 34 1HB GLU 34 -3.147 15.897 2.778 307 1HG GLU 34 2HG GLU 34 -5.168 17.386 1.874 308 2HG GLU 34 1HG GLU 34 -5.988 15.828 1.973 309 H LEU 35 H LEU 35 -1.648 14.540 1.747 310 HA LEU 35 HA LEU 35 0.578 16.173 2.161 311 1HB LEU 35 2HB LEU 35 1.781 14.249 2.729 312 2HB LEU 35 1HB LEU 35 0.151 13.939 3.226 313 HG LEU 35 HG LEU 35 1.829 12.489 1.330 314 1HD1 LEU 35 1HD1 LEU 35 -0.497 11.076 2.045 315 2HD1 LEU 35 2HD1 LEU 35 0.005 12.002 3.457 316 3HD1 LEU 35 3HD1 LEU 35 1.133 10.898 2.682 317 1HD2 LEU 35 1HD2 LEU 35 -0.914 13.324 0.511 318 2HD2 LEU 35 2HD2 LEU 35 -0.320 11.720 0.102 319 3HD2 LEU 35 3HD2 LEU 35 0.545 13.147 -0.461 320 H SER 36 H SER 36 2.680 14.571 1.102 321 HA SER 36 HA SER 36 2.546 15.322 -1.745 322 1HB SER 36 2HB SER 36 4.966 15.377 0.078 323 2HB SER 36 1HB SER 36 4.960 15.791 -1.635 324 HG SER 36 HG SER 36 3.806 17.597 -1.209 325 H ASP 37 H ASP 37 4.610 14.146 -2.840 326 HA ASP 37 HA ASP 37 3.932 11.427 -2.966 327 1HB ASP 37 2HB ASP 37 5.126 12.809 -4.736 328 2HB ASP 37 1HB ASP 37 6.596 12.585 -3.793 329 H ASN 38 H ASN 38 6.098 13.177 -0.902 330 HA ASN 38 HA ASN 38 7.689 10.953 -0.106 331 1HB ASN 38 2HB ASN 38 8.120 13.548 0.091 332 2HB ASN 38 1HB ASN 38 7.347 13.335 1.659 333 1HD2 ASN 38 1HD2 ASN 38 8.364 12.113 3.236 334 2HD2 ASN 38 2HD2 ASN 38 10.033 11.677 3.133 335 H GLU 39 H GLU 39 4.940 12.652 1.423 336 HA GLU 39 HA GLU 39 4.895 10.803 3.623 337 1HB GLU 39 2HB GLU 39 4.213 13.065 4.030 338 2HB GLU 39 1HB GLU 39 3.048 13.004 2.720 339 1HG GLU 39 2HG GLU 39 1.569 12.648 4.344 340 2HG GLU 39 1HG GLU 39 2.157 10.988 4.293 341 H LEU 40 H LEU 40 3.215 11.254 0.587 342 HA LEU 40 HA LEU 40 1.054 9.539 0.960 343 1HB LEU 40 2HB LEU 40 1.268 11.069 -0.915 344 2HB LEU 40 1HB LEU 40 2.583 10.119 -1.571 345 HG LEU 40 HG LEU 40 0.041 8.675 -1.125 346 1HD1 LEU 40 1HD1 LEU 40 -0.947 9.534 -3.194 347 2HD1 LEU 40 2HD1 LEU 40 0.346 10.729 -3.310 348 3HD1 LEU 40 3HD1 LEU 40 -0.798 10.796 -1.970 349 1HD2 LEU 40 1HD2 LEU 40 0.724 7.433 -2.958 350 2HD2 LEU 40 2HD2 LEU 40 2.254 7.866 -2.197 351 3HD2 LEU 40 3HD2 LEU 40 1.695 8.750 -3.617 352 H ALA 41 H ALA 41 4.394 8.829 0.097 353 HA ALA 41 HA ALA 41 4.081 6.197 -0.780 354 1HB ALA 41 1HB ALA 41 6.342 6.077 -0.710 355 2HB ALA 41 2HB ALA 41 6.432 6.722 0.929 356 3HB ALA 41 3HB ALA 41 6.217 7.815 -0.438 357 H VAL 42 H VAL 42 4.127 7.604 2.411 358 HA VAL 42 HA VAL 42 4.146 5.107 3.826 359 HB VAL 42 HB VAL 42 3.427 7.881 4.792 360 1HG1 VAL 42 1HG1 VAL 42 2.912 6.996 6.756 361 2HG1 VAL 42 2HG1 VAL 42 4.462 6.161 6.829 362 3HG1 VAL 42 3HG1 VAL 42 3.079 5.386 6.054 363 1HG2 VAL 42 1HG2 VAL 42 5.982 6.631 5.565 364 2HG2 VAL 42 2HG2 VAL 42 5.609 8.311 5.173 365 3HG2 VAL 42 3HG2 VAL 42 5.846 7.134 3.879 366 H PHE 43 H PHE 43 1.734 7.374 2.618 367 HA PHE 43 HA PHE 43 -0.452 6.184 4.048 368 1HB PHE 43 2HB PHE 43 -0.342 8.571 3.194 369 2HB PHE 43 1HB PHE 43 -0.635 7.918 1.586 370 HD1 PHE 43 1HD PHE 43 -2.759 8.580 0.984 371 HD2 PHE 43 2HD PHE 43 -2.105 6.997 4.879 372 HE1 PHE 43 1HE PHE 43 -5.182 8.627 1.405 373 HE2 PHE 43 2HE PHE 43 -4.528 7.040 5.308 374 HZ PHE 43 HZ PHE 43 -6.069 7.855 3.568 375 H TYR 44 H TYR 44 0.657 6.075 0.674 376 HA TYR 44 HA TYR 44 -1.358 4.394 -0.303 377 1HB TYR 44 2HB TYR 44 0.654 5.758 -1.454 378 2HB TYR 44 1HB TYR 44 1.350 4.142 -1.487 379 HD1 TYR 44 1HD TYR 44 0.973 2.887 -3.379 380 HD2 TYR 44 2HD TYR 44 -1.916 5.801 -2.257 381 HE1 TYR 44 1HE TYR 44 -0.333 2.357 -5.394 382 HE2 TYR 44 2HE TYR 44 -3.232 5.279 -4.269 383 HH TYR 44 HH TYR 44 -2.553 4.229 -6.692 384 H SER 45 H SER 45 1.900 3.594 0.886 385 HA SER 45 HA SER 45 1.641 0.807 0.478 386 1HB SER 45 2HB SER 45 3.698 0.592 1.679 387 2HB SER 45 1HB SER 45 3.804 2.083 0.745 388 HG SER 45 HG SER 45 3.777 1.707 3.464 389 H ALA 46 H ALA 46 0.971 2.898 3.233 390 HA ALA 46 HA ALA 46 0.473 0.727 5.036 391 1HB ALA 46 1HB ALA 46 -0.085 3.677 5.230 392 2HB ALA 46 2HB ALA 46 1.247 2.782 5.961 393 3HB ALA 46 3HB ALA 46 -0.403 2.527 6.528 394 H ALA 47 H ALA 47 -1.537 2.892 3.105 395 HA ALA 47 HA ALA 47 -4.004 1.887 4.155 396 1HB ALA 47 1HB ALA 47 -3.485 4.185 3.052 397 2HB ALA 47 2HB ALA 47 -5.060 3.430 2.810 398 3HB ALA 47 3HB ALA 47 -3.833 3.331 1.549 399 H ASP 48 H ASP 48 -2.022 1.178 1.332 400 HA ASP 48 HA ASP 48 -3.984 -0.404 0.012 401 1HB ASP 48 2HB ASP 48 -1.006 -0.081 -0.305 402 2HB ASP 48 1HB ASP 48 -1.908 -1.249 -1.258 403 H HIS 49 H HIS 49 -1.089 -1.270 1.932 404 HA HIS 49 HA HIS 49 -1.352 -4.039 1.769 405 1HB HIS 49 2HB HIS 49 0.043 -2.140 3.513 406 2HB HIS 49 1HB HIS 49 -0.398 -3.635 4.334 407 HD1 HIS 49 1HD HIS 49 1.025 -2.938 0.864 408 HD2 HIS 49 2HD HIS 49 1.739 -5.272 4.226 409 HE1 HIS 49 1HE HIS 49 3.030 -4.345 0.293 410 HE2 HIS 49 2HE HIS 49 3.492 -5.691 2.371 411 H ARG 50 H ARG 50 -2.763 -1.760 4.075 412 HA ARG 50 HA ARG 50 -4.132 -3.657 5.663 413 1HB ARG 50 2HB ARG 50 -3.692 -1.015 5.879 414 2HB ARG 50 1HB ARG 50 -5.323 -0.970 5.221 415 1HG ARG 50 2HG ARG 50 -5.863 -1.024 7.414 416 2HG ARG 50 1HG ARG 50 -5.708 -2.763 7.161 417 1HD ARG 50 2HD ARG 50 -3.162 -1.512 7.780 418 2HD ARG 50 1HD ARG 50 -4.361 -1.239 9.043 419 HE ARG 50 HE ARG 50 -3.020 -3.670 8.482 420 1HH1 ARG 50 1HH1 ARG 50 -6.118 -2.412 9.480 421 2HH1 ARG 50 2HH1 ARG 50 -6.562 -3.844 10.346 422 1HH2 ARG 50 1HH2 ARG 50 -3.603 -5.556 9.620 423 2HH2 ARG 50 2HH2 ARG 50 -5.134 -5.629 10.424 424 H LEU 51 H LEU 51 -5.092 -1.646 2.942 425 HA LEU 51 HA LEU 51 -7.754 -2.475 2.721 426 1HB LEU 51 2HB LEU 51 -7.246 -0.538 1.552 427 2HB LEU 51 1HB LEU 51 -5.738 -1.178 0.948 428 HG LEU 51 HG LEU 51 -7.573 -0.767 -0.752 429 1HD1 LEU 51 1HD1 LEU 51 -5.552 -2.648 -0.569 430 2HD1 LEU 51 2HD1 LEU 51 -6.395 -2.139 -2.036 431 3HD1 LEU 51 3HD1 LEU 51 -6.945 -3.561 -1.150 432 1HD2 LEU 51 1HD2 LEU 51 -9.546 -1.769 -0.556 433 2HD2 LEU 51 2HD2 LEU 51 -9.040 -2.395 1.012 434 3HD2 LEU 51 3HD2 LEU 51 -8.778 -3.352 -0.446 435 H ALA 52 H ALA 52 -4.756 -3.836 1.527 436 HA ALA 52 HA ALA 52 -5.815 -5.646 -0.343 437 1HB ALA 52 1HB ALA 52 -3.297 -4.913 0.506 438 2HB ALA 52 2HB ALA 52 -3.676 -6.138 -0.704 439 3HB ALA 52 3HB ALA 52 -3.416 -6.608 0.976 440 H GLU 53 H GLU 53 -4.856 -6.188 3.060 441 HA GLU 53 HA GLU 53 -5.542 -8.887 3.166 442 1HB GLU 53 2HB GLU 53 -5.892 -8.416 5.674 443 2HB GLU 53 1HB GLU 53 -4.296 -8.153 4.991 444 1HG GLU 53 2HG GLU 53 -4.761 -5.753 4.850 445 2HG GLU 53 1HG GLU 53 -6.355 -6.029 5.552 446 H LEU 54 H LEU 54 -7.525 -6.019 3.746 447 HA LEU 54 HA LEU 54 -9.835 -7.303 4.650 448 1HB LEU 54 2HB LEU 54 -9.356 -4.723 3.189 449 2HB LEU 54 1HB LEU 54 -10.979 -5.245 3.591 450 HG LEU 54 HG LEU 54 -9.075 -5.259 5.839 451 1HD1 LEU 54 1HD1 LEU 54 -8.334 -3.247 4.689 452 2HD1 LEU 54 2HD1 LEU 54 -9.203 -2.840 6.168 453 3HD1 LEU 54 3HD1 LEU 54 -9.999 -2.670 4.603 454 1HD2 LEU 54 1HD2 LEU 54 -11.455 -5.769 6.095 455 2HD2 LEU 54 2HD2 LEU 54 -11.862 -4.165 5.486 456 3HD2 LEU 54 3HD2 LEU 54 -10.996 -4.336 7.013 457 H THR 55 H THR 55 -8.540 -6.862 1.436 458 HA THR 55 HA THR 55 -10.942 -7.766 0.114 459 HB THR 55 HB THR 55 -8.304 -7.667 -1.276 460 HG1 THR 55 1HG THR 55 -9.705 -5.435 -0.260 461 1HG2 THR 55 1HG2 THR 55 -10.099 -8.149 -2.711 462 2HG2 THR 55 2HG2 THR 55 -9.720 -6.445 -2.968 463 3HG2 THR 55 3HG2 THR 55 -11.113 -6.901 -1.989 464 H MET 56 H MET 56 -7.875 -9.110 1.139 465 HA MET 56 HA MET 56 -8.466 -11.666 -0.153 466 1HB MET 56 2HB MET 56 -6.145 -10.418 -0.021 467 2HB MET 56 1HB MET 56 -6.054 -11.218 1.542 468 1HG MET 56 2HG MET 56 -4.931 -12.521 -0.161 469 2HG MET 56 1HG MET 56 -6.338 -13.384 0.460 470 1HE MET 56 1HE MET 56 -6.377 -11.070 -3.508 471 2HE MET 56 2HE MET 56 -5.465 -10.656 -2.056 472 3HE MET 56 3HE MET 56 -7.212 -10.418 -2.098 473 H ASN 57 H ASN 57 -9.739 -10.432 2.399 474 HA ASN 57 HA ASN 57 -10.663 -11.244 4.298 475 1HB ASN 57 2HB ASN 57 -10.005 -13.661 2.768 476 2HB ASN 57 1HB ASN 57 -10.116 -13.926 4.506 477 1HD2 ASN 57 1HD2 ASN 57 -12.080 -12.373 5.345 478 2HD2 ASN 57 2HD2 ASN 57 -13.573 -12.753 4.564 479 H LYS 58 H LYS 58 -8.803 -9.921 5.143 480 HA LYS 58 HA LYS 58 -7.154 -9.572 6.665 481 1HB LYS 58 2HB LYS 58 -8.383 -12.137 7.598 482 2HB LYS 58 1HB LYS 58 -6.971 -11.493 8.422 483 1HG LYS 58 2HG LYS 58 -9.226 -9.634 7.962 484 2HG LYS 58 1HG LYS 58 -9.451 -10.907 9.162 485 1HD LYS 58 2HD LYS 58 -8.596 -8.996 10.302 486 2HD LYS 58 1HD LYS 58 -7.290 -10.179 10.207 487 1HE LYS 58 2HE LYS 58 -6.486 -7.930 9.700 488 2HE LYS 58 1HE LYS 58 -6.340 -8.991 8.299 489 1HZ LYS 58 1HZ LYS 58 -7.253 -6.691 7.886 490 2HZ LYS 58 2HZ LYS 58 -8.659 -7.189 8.684 491 3HZ LYS 58 3HZ LYS 58 -8.168 -7.972 7.267 492 H LEU 59 H LEU 59 -6.447 -10.953 4.145 493 HA LEU 59 HA LEU 59 -4.016 -12.312 5.105 494 1HB LEU 59 2HB LEU 59 -5.534 -13.853 3.956 495 2HB LEU 59 1HB LEU 59 -5.521 -12.820 2.539 496 HG LEU 59 HG LEU 59 -4.048 -14.924 2.518 497 1HD1 LEU 59 1HD1 LEU 59 -2.127 -12.960 1.786 498 2HD1 LEU 59 2HD1 LEU 59 -3.731 -12.344 1.392 499 3HD1 LEU 59 3HD1 LEU 59 -3.202 -13.897 0.748 500 1HD2 LEU 59 1HD2 LEU 59 -1.787 -14.574 3.467 501 2HD2 LEU 59 2HD2 LEU 59 -3.044 -14.712 4.697 502 3HD2 LEU 59 3HD2 LEU 59 -2.387 -13.128 4.282 503 H TYR 60 H TYR 60 -2.229 -11.203 4.761 504 HA TYR 60 HA TYR 60 -2.028 -9.558 2.332 505 1HB TYR 60 2HB TYR 60 -1.144 -7.728 3.463 506 2HB TYR 60 1HB TYR 60 -2.387 -8.288 4.573 507 HD1 TYR 60 1HD TYR 60 -1.831 -9.005 6.766 508 HD2 TYR 60 2HD TYR 60 1.249 -8.285 3.921 509 HE1 TYR 60 1HE TYR 60 -0.151 -9.167 8.555 510 HE2 TYR 60 2HE TYR 60 2.941 -8.447 5.703 511 HH TYR 60 HH TYR 60 2.193 -9.607 8.846 512 H ASP 61 H ASP 61 0.214 -9.106 1.681 513 HA ASP 61 HA ASP 61 2.462 -9.595 1.461 514 1HB ASP 61 2HB ASP 61 2.247 -10.536 3.905 515 2HB ASP 61 1HB ASP 61 2.238 -12.099 3.092 516 H LYS 62 H LYS 62 -0.219 -11.542 0.847 517 HA LYS 62 HA LYS 62 1.250 -12.921 -1.290 518 1HB LYS 62 2HB LYS 62 0.724 -14.474 0.599 519 2HB LYS 62 1HB LYS 62 -0.983 -14.156 0.328 520 1HG LYS 62 2HG LYS 62 0.264 -14.920 -2.136 521 2HG LYS 62 1HG LYS 62 0.622 -16.110 -0.883 522 1HD LYS 62 2HD LYS 62 -2.145 -15.095 -1.526 523 2HD LYS 62 1HD LYS 62 -1.458 -16.586 -2.172 524 1HE LYS 62 2HE LYS 62 -1.318 -17.556 -0.005 525 2HE LYS 62 1HE LYS 62 -1.685 -16.019 0.775 526 1HZ LYS 62 1HZ LYS 62 -3.624 -17.399 0.794 527 2HZ LYS 62 2HZ LYS 62 -3.535 -17.651 -0.875 528 3HZ LYS 62 3HZ LYS 62 -3.899 -16.114 -0.272 529 H ILE 63 H ILE 63 -0.554 -10.483 -1.032 530 HA ILE 63 HA ILE 63 -3.031 -11.003 -2.243 531 HB ILE 63 HB ILE 63 -1.416 -8.467 -2.520 532 1HG1 ILE 63 2HG1 ILE 63 -3.308 -8.087 -0.518 533 2HG1 ILE 63 1HG1 ILE 63 -2.672 -9.695 -0.188 534 1HG2 ILE 63 1HG2 ILE 63 -4.255 -9.219 -3.015 535 2HG2 ILE 63 2HG2 ILE 63 -3.183 -8.176 -3.949 536 3HG2 ILE 63 3HG2 ILE 63 -3.892 -7.590 -2.445 537 1HD1 ILE 63 1HD1 ILE 63 -0.381 -8.705 -0.257 538 2HD1 ILE 63 2HD1 ILE 63 -1.400 -8.130 1.063 539 3HD1 ILE 63 3HD1 ILE 63 -1.139 -7.117 -0.358 540 HA PRO 64 HA PRO 64 -1.393 -12.309 -6.253 541 1HB PRO 64 2HB PRO 64 -4.287 -12.093 -6.907 542 2HB PRO 64 1HB PRO 64 -3.165 -13.428 -7.194 543 1HG PRO 64 2HG PRO 64 -4.981 -13.575 -5.252 544 2HG PRO 64 1HG PRO 64 -3.345 -14.220 -5.021 545 1HD PRO 64 2HD PRO 64 -4.550 -11.684 -3.991 546 2HD PRO 64 1HD PRO 64 -3.412 -12.800 -3.199 547 H SER 65 H SER 65 -1.543 -11.465 -8.472 548 HA SER 65 HA SER 65 -1.464 -8.604 -8.478 549 1HB SER 65 2HB SER 65 -0.914 -10.766 -10.462 550 2HB SER 65 1HB SER 65 -1.206 -9.137 -11.069 551 HG SER 65 HG SER 65 0.449 -8.489 -9.477 552 H SER 66 H SER 66 -3.639 -11.061 -9.782 553 HA SER 66 HA SER 66 -5.286 -9.366 -11.290 554 1HB SER 66 2HB SER 66 -5.170 -12.036 -10.966 555 2HB SER 66 1HB SER 66 -6.559 -11.682 -9.938 556 HG SER 66 HG SER 66 -7.413 -11.948 -11.923 557 H VAL 67 H VAL 67 -5.491 -10.397 -7.905 558 HA VAL 67 HA VAL 67 -7.943 -9.116 -7.334 559 HB VAL 67 HB VAL 67 -5.745 -9.626 -5.334 560 1HG1 VAL 67 1HG1 VAL 67 -8.257 -8.482 -5.070 561 2HG1 VAL 67 2HG1 VAL 67 -7.249 -9.119 -3.772 562 3HG1 VAL 67 3HG1 VAL 67 -8.476 -10.142 -4.517 563 1HG2 VAL 67 1HG2 VAL 67 -5.970 -11.829 -5.543 564 2HG2 VAL 67 2HG2 VAL 67 -6.918 -11.545 -7.001 565 3HG2 VAL 67 3HG2 VAL 67 -7.726 -11.713 -5.443 566 H TRP 68 H TRP 68 -4.581 -8.128 -6.699 567 HA TRP 68 HA TRP 68 -5.138 -5.659 -5.537 568 1HB TRP 68 2HB TRP 68 -2.825 -7.064 -6.460 569 2HB TRP 68 1HB TRP 68 -2.736 -5.404 -7.039 570 HD1 TRP 68 HD TRP 68 -1.147 -7.032 -4.500 571 HE1 TRP 68 1HE TRP 68 -0.947 -5.695 -2.314 572 HE3 TRP 68 3HE TRP 68 -4.797 -3.559 -5.335 573 HZ2 TRP 68 2HZ TRP 68 -2.179 -3.461 -1.098 574 HZ3 TRP 68 3HZ TRP 68 -5.224 -1.856 -3.615 575 HH2 TRP 68 HH TRP 68 -3.941 -1.808 -1.539 576 H LYS 69 H LYS 69 -4.685 -6.525 -8.938 577 HA LYS 69 HA LYS 69 -4.753 -3.930 -9.999 578 1HB LYS 69 2HB LYS 69 -4.325 -6.352 -11.070 579 2HB LYS 69 1HB LYS 69 -5.996 -6.124 -11.569 580 1HG LYS 69 2HG LYS 69 -5.462 -4.182 -12.805 581 2HG LYS 69 1HG LYS 69 -3.851 -4.087 -12.092 582 1HD LYS 69 2HD LYS 69 -3.761 -6.559 -13.177 583 2HD LYS 69 1HD LYS 69 -4.854 -5.755 -14.306 584 1HE LYS 69 2HE LYS 69 -2.304 -4.426 -13.490 585 2HE LYS 69 1HE LYS 69 -2.281 -5.693 -14.716 586 1HZ LYS 69 1HZ LYS 69 -3.852 -4.424 -16.026 587 2HZ LYS 69 2HZ LYS 69 -2.483 -3.487 -15.695 588 3HZ LYS 69 3HZ LYS 69 -3.918 -3.217 -14.841 589 H PHE 70 H PHE 70 -7.290 -6.070 -8.927 590 HA PHE 70 HA PHE 70 -9.429 -4.605 -10.148 591 1HB PHE 70 2HB PHE 70 -9.458 -7.064 -9.455 592 2HB PHE 70 1HB PHE 70 -9.681 -6.488 -7.807 593 HD1 PHE 70 1HD PHE 70 -11.193 -6.688 -11.148 594 HD2 PHE 70 2HD PHE 70 -11.772 -5.610 -7.072 595 HE1 PHE 70 1HE PHE 70 -13.618 -6.530 -11.538 596 HE2 PHE 70 2HE PHE 70 -14.197 -5.452 -7.454 597 HZ PHE 70 HZ PHE 70 -15.123 -5.913 -9.690 598 H ILE 71 H ILE 71 -8.220 -4.898 -6.809 599 HA ILE 71 HA ILE 71 -9.905 -2.661 -5.998 600 HB ILE 71 HB ILE 71 -9.756 -4.653 -4.538 601 1HG1 ILE 71 2HG1 ILE 71 -8.498 -2.669 -2.792 602 2HG1 ILE 71 1HG1 ILE 71 -9.753 -1.986 -3.820 603 1HG2 ILE 71 1HG2 ILE 71 -7.821 -5.352 -3.475 604 2HG2 ILE 71 2HG2 ILE 71 -6.989 -3.822 -3.759 605 3HG2 ILE 71 3HG2 ILE 71 -7.248 -4.947 -5.093 606 1HD1 ILE 71 1HD1 ILE 71 -10.001 -4.171 -1.785 607 2HD1 ILE 71 2HD1 ILE 71 -11.239 -3.867 -3.003 608 3HD1 ILE 71 3HD1 ILE 71 -10.824 -2.613 -1.835 609 H ARG 72 H ARG 72 -9.201 -0.640 -5.911 610 HA ARG 72 HA ARG 72 -6.348 -0.118 -6.247 611 1HB ARG 72 2HB ARG 72 -8.630 1.055 -7.316 612 2HB ARG 72 1HB ARG 72 -8.071 2.227 -6.130 613 1HG ARG 72 2HG ARG 72 -5.800 2.063 -7.207 614 2HG ARG 72 1HG ARG 72 -6.573 1.137 -8.496 615 1HD ARG 72 2HD ARG 72 -7.971 2.972 -9.083 616 2HD ARG 72 1HD ARG 72 -7.493 3.874 -7.646 617 HE ARG 72 HE ARG 72 -5.628 4.584 -8.760 618 1HH1 ARG 72 1HH1 ARG 72 -6.966 1.842 -10.454 619 2HH1 ARG 72 2HH1 ARG 72 -5.889 1.990 -11.803 620 1HH2 ARG 72 1HH2 ARG 72 -4.211 4.781 -10.533 621 2HH2 ARG 72 2HH2 ARG 72 -4.326 3.660 -11.847 Start of MODEL 6 1 1H MET 1 1HT MET 1 10.048 2.767 13.479 2 2H MET 1 2HT MET 1 8.868 1.754 14.205 3 3H MET 1 3HT MET 1 10.251 2.240 15.097 4 HA MET 1 HA MET 1 8.235 4.097 14.033 5 1HB MET 1 2HB MET 1 7.222 2.539 15.629 6 2HB MET 1 1HB MET 1 8.510 2.860 16.781 7 1HG MET 1 2HG MET 1 6.518 4.062 17.403 8 2HG MET 1 1HG MET 1 7.784 5.193 16.931 9 1HE MET 1 1HE MET 1 4.101 6.534 15.900 10 2HE MET 1 2HE MET 1 5.175 6.339 17.285 11 3HE MET 1 3HE MET 1 4.098 5.025 16.813 12 H SER 2 H SER 2 9.254 5.978 13.799 13 HA SER 2 HA SER 2 11.099 6.832 15.923 14 1HB SER 2 2HB SER 2 11.979 6.142 13.436 15 2HB SER 2 1HB SER 2 11.696 7.870 13.229 16 HG SER 2 HG SER 2 13.461 6.551 14.977 17 H GLU 3 H GLU 3 8.193 7.387 14.983 18 HA GLU 3 HA GLU 3 6.763 9.138 15.046 19 1HB GLU 3 2HB GLU 3 7.904 9.768 17.093 20 2HB GLU 3 1HB GLU 3 9.168 10.578 16.181 21 1HG GLU 3 2HG GLU 3 7.964 12.410 16.633 22 2HG GLU 3 1HG GLU 3 7.001 11.882 15.255 23 H LYS 4 H LYS 4 9.148 11.611 14.551 24 HA LYS 4 HA LYS 4 9.501 13.031 12.803 25 1HB LYS 4 2HB LYS 4 9.793 10.318 11.805 26 2HB LYS 4 1HB LYS 4 9.286 11.418 10.531 27 1HG LYS 4 2HG LYS 4 11.238 12.890 11.610 28 2HG LYS 4 1HG LYS 4 11.831 11.278 12.018 29 1HD LYS 4 2HD LYS 4 11.590 10.637 9.637 30 2HD LYS 4 1HD LYS 4 11.115 12.296 9.269 31 1HE LYS 4 2HE LYS 4 13.635 11.963 10.771 32 2HE LYS 4 1HE LYS 4 13.645 11.394 9.102 33 1HZ LYS 4 1HZ LYS 4 13.483 13.476 8.299 34 2HZ LYS 4 2HZ LYS 4 14.146 13.907 9.793 35 3HZ LYS 4 3HZ LYS 4 12.476 14.017 9.547 36 HA PRO 5 HA PRO 5 5.766 14.430 10.916 37 1HB PRO 5 2HB PRO 5 6.336 14.754 8.243 38 2HB PRO 5 1HB PRO 5 6.794 15.902 9.505 39 1HG PRO 5 2HG PRO 5 8.432 13.774 8.192 40 2HG PRO 5 1HG PRO 5 8.894 15.425 8.648 41 1HD PRO 5 2HD PRO 5 9.609 13.296 10.120 42 2HD PRO 5 1HD PRO 5 9.213 14.855 10.869 43 H LEU 6 H LEU 6 5.000 12.162 11.377 44 HA LEU 6 HA LEU 6 3.707 10.387 10.803 45 1HB LEU 6 2HB LEU 6 3.603 11.800 8.139 46 2HB LEU 6 1HB LEU 6 2.622 10.410 8.563 47 HG LEU 6 HG LEU 6 1.285 12.388 8.792 48 1HD1 LEU 6 1HD1 LEU 6 2.072 11.574 11.578 49 2HD1 LEU 6 2HD1 LEU 6 1.112 10.554 10.507 50 3HD1 LEU 6 3HD1 LEU 6 0.498 12.129 11.009 51 1HD2 LEU 6 1HD2 LEU 6 3.398 13.833 9.179 52 2HD2 LEU 6 2HD2 LEU 6 3.123 13.481 10.885 53 3HD2 LEU 6 3HD2 LEU 6 1.882 14.308 9.943 54 H THR 7 H THR 7 5.384 8.885 11.060 55 HA THR 7 HA THR 7 7.072 8.223 8.806 56 HB THR 7 HB THR 7 7.543 6.240 10.594 57 HG1 THR 7 1HG THR 7 6.616 6.692 12.402 58 1HG2 THR 7 1HG2 THR 7 9.523 7.208 10.619 59 2HG2 THR 7 2HG2 THR 7 8.896 8.518 11.620 60 3HG2 THR 7 3HG2 THR 7 8.824 8.639 9.862 61 H LYS 8 H LYS 8 7.320 5.671 8.531 62 HA LYS 8 HA LYS 8 5.173 4.779 7.054 63 1HB LYS 8 2HB LYS 8 7.456 3.348 8.370 64 2HB LYS 8 1HB LYS 8 6.221 2.443 7.504 65 1HG LYS 8 2HG LYS 8 7.358 4.729 6.047 66 2HG LYS 8 1HG LYS 8 8.473 3.402 6.378 67 1HD LYS 8 2HD LYS 8 5.753 2.874 5.237 68 2HD LYS 8 1HD LYS 8 7.092 3.356 4.194 69 1HE LYS 8 2HE LYS 8 8.261 1.402 5.659 70 2HE LYS 8 1HE LYS 8 6.600 0.819 5.601 71 1HZ LYS 8 1HZ LYS 8 7.850 1.731 3.112 72 2HZ LYS 8 2HZ LYS 8 6.677 0.536 3.352 73 3HZ LYS 8 3HZ LYS 8 8.296 0.219 3.728 74 H THR 9 H THR 9 5.841 4.263 10.469 75 HA THR 9 HA THR 9 3.642 2.446 10.823 76 HB THR 9 HB THR 9 4.312 3.279 13.350 77 HG1 THR 9 1HG THR 9 6.736 3.251 11.898 78 1HG2 THR 9 1HG2 THR 9 4.945 1.171 13.603 79 2HG2 THR 9 2HG2 THR 9 6.214 1.320 12.388 80 3HG2 THR 9 3HG2 THR 9 4.560 0.958 11.895 81 H ASP 10 H ASP 10 4.142 5.887 11.132 82 HA ASP 10 HA ASP 10 2.063 6.581 12.826 83 1HB ASP 10 2HB ASP 10 3.560 7.957 10.672 84 2HB ASP 10 1HB ASP 10 2.028 8.683 11.145 85 H TYR 11 H TYR 11 1.940 6.289 9.266 86 HA TYR 11 HA TYR 11 -0.890 6.750 9.220 87 1HB TYR 11 2HB TYR 11 1.216 6.208 7.206 88 2HB TYR 11 1HB TYR 11 -0.415 5.714 6.772 89 HD1 TYR 11 1HD TYR 11 -1.844 8.000 8.272 90 HD2 TYR 11 2HD TYR 11 1.461 7.939 5.591 91 HE1 TYR 11 1HE TYR 11 -2.355 10.306 7.598 92 HE2 TYR 11 2HE TYR 11 0.956 10.245 4.912 93 HH TYR 11 HH TYR 11 -1.337 11.711 4.931 94 H LEU 12 H LEU 12 1.208 3.930 9.111 95 HA LEU 12 HA LEU 12 -0.624 1.992 8.340 96 1HB LEU 12 2HB LEU 12 1.810 1.940 10.079 97 2HB LEU 12 1HB LEU 12 0.824 0.498 9.928 98 HG LEU 12 HG LEU 12 1.850 1.898 7.482 99 1HD1 LEU 12 1HD1 LEU 12 3.583 1.079 9.401 100 2HD1 LEU 12 2HD1 LEU 12 3.938 1.103 7.674 101 3HD1 LEU 12 3HD1 LEU 12 3.408 -0.393 8.444 102 1HD2 LEU 12 1HD2 LEU 12 0.111 0.163 7.269 103 2HD2 LEU 12 2HD2 LEU 12 1.190 -0.987 8.058 104 3HD2 LEU 12 3HD2 LEU 12 1.629 -0.298 6.495 105 H MET 13 H MET 13 0.091 3.168 11.624 106 HA MET 13 HA MET 13 -1.927 1.508 12.816 107 1HB MET 13 2HB MET 13 -0.588 3.919 14.042 108 2HB MET 13 1HB MET 13 -1.369 2.589 14.885 109 1HG MET 13 2HG MET 13 0.363 1.081 14.285 110 2HG MET 13 1HG MET 13 1.074 2.245 13.170 111 1HE MET 13 1HE MET 13 2.569 4.412 14.025 112 2HE MET 13 2HE MET 13 2.346 5.006 15.670 113 3HE MET 13 3HE MET 13 0.964 4.889 14.580 114 H ARG 14 H ARG 14 -1.635 4.912 11.915 115 HA ARG 14 HA ARG 14 -4.055 5.810 13.000 116 1HB ARG 14 2HB ARG 14 -2.155 7.216 12.079 117 2HB ARG 14 1HB ARG 14 -2.786 6.869 10.474 118 1HG ARG 14 2HG ARG 14 -4.926 7.902 11.122 119 2HG ARG 14 1HG ARG 14 -4.230 8.305 12.692 120 1HD ARG 14 2HD ARG 14 -2.366 9.294 10.937 121 2HD ARG 14 1HD ARG 14 -3.886 9.597 10.095 122 HE ARG 14 HE ARG 14 -4.410 11.178 11.670 123 1HH1 ARG 14 1HH1 ARG 14 -1.737 9.257 12.829 124 2HH1 ARG 14 2HH1 ARG 14 -1.425 10.285 14.187 125 1HH2 ARG 14 1HH2 ARG 14 -4.002 12.530 13.456 126 2HH2 ARG 14 2HH2 ARG 14 -2.711 12.143 14.544 127 H LEU 15 H LEU 15 -3.300 4.276 9.924 128 HA LEU 15 HA LEU 15 -5.788 4.705 8.668 129 1HB LEU 15 2HB LEU 15 -3.526 3.850 7.710 130 2HB LEU 15 1HB LEU 15 -4.114 2.266 8.175 131 HG LEU 15 HG LEU 15 -5.991 3.884 6.573 132 1HD1 LEU 15 1HD1 LEU 15 -3.458 4.090 5.723 133 2HD1 LEU 15 2HD1 LEU 15 -4.842 4.005 4.634 134 3HD1 LEU 15 3HD1 LEU 15 -3.898 2.555 4.974 135 1HD2 LEU 15 1HD2 LEU 15 -6.583 1.809 5.669 136 2HD2 LEU 15 2HD2 LEU 15 -6.221 1.462 7.360 137 3HD2 LEU 15 3HD2 LEU 15 -5.040 1.075 6.109 138 H ARG 16 H ARG 16 -4.551 2.000 10.607 139 HA ARG 16 HA ARG 16 -6.948 0.468 10.411 140 1HB ARG 16 2HB ARG 16 -4.548 -0.316 10.988 141 2HB ARG 16 1HB ARG 16 -4.940 0.182 12.629 142 1HG ARG 16 2HG ARG 16 -6.974 -1.325 12.442 143 2HG ARG 16 1HG ARG 16 -6.224 -1.972 10.981 144 1HD ARG 16 2HD ARG 16 -5.455 -3.441 12.578 145 2HD ARG 16 1HD ARG 16 -4.141 -2.266 12.520 146 HE ARG 16 HE ARG 16 -6.111 -1.609 14.485 147 1HH1 ARG 16 1HH1 ARG 16 -3.308 -3.592 13.861 148 2HH1 ARG 16 2HH1 ARG 16 -2.874 -3.723 15.532 149 1HH2 ARG 16 1HH2 ARG 16 -5.542 -1.780 16.684 150 2HH2 ARG 16 2HH2 ARG 16 -4.142 -2.695 17.136 151 H ARG 17 H ARG 17 -5.924 3.086 12.408 152 HA ARG 17 HA ARG 17 -7.410 2.675 14.721 153 1HB ARG 17 2HB ARG 17 -5.985 4.841 13.489 154 2HB ARG 17 1HB ARG 17 -7.498 5.444 14.151 155 1HG ARG 17 2HG ARG 17 -6.543 3.841 16.168 156 2HG ARG 17 1HG ARG 17 -5.078 4.570 15.506 157 1HD ARG 17 2HD ARG 17 -5.637 6.647 16.200 158 2HD ARG 17 1HD ARG 17 -7.358 6.395 15.906 159 HE ARG 17 HE ARG 17 -6.325 4.917 18.148 160 1HH1 ARG 17 1HH1 ARG 17 -7.686 7.955 17.097 161 2HH1 ARG 17 2HH1 ARG 17 -8.268 8.381 18.669 162 1HH2 ARG 17 1HH2 ARG 17 -7.092 5.477 20.218 163 2HH2 ARG 17 2HH2 ARG 17 -7.932 6.974 20.442 164 H CYS 18 H CYS 18 -8.442 3.628 11.541 165 HA CYS 18 HA CYS 18 -10.856 4.883 12.092 166 1HB CYS 18 2HB CYS 18 -9.543 3.865 9.809 167 2HB CYS 18 1HB CYS 18 -11.157 3.162 9.806 168 HG CYS 18 HG CYS 18 -11.771 5.289 8.746 169 H GLN 19 H GLN 19 -13.066 3.932 11.637 170 HA GLN 19 HA GLN 19 -13.356 1.517 13.258 171 1HB GLN 19 2HB GLN 19 -14.630 3.732 13.665 172 2HB GLN 19 1HB GLN 19 -15.624 3.239 12.301 173 1HG GLN 19 2HG GLN 19 -16.846 2.412 14.039 174 2HG GLN 19 1HG GLN 19 -15.846 1.012 13.653 175 1HE2 GLN 19 1HE2 GLN 19 -15.349 3.997 15.511 176 2HE2 GLN 19 2HE2 GLN 19 -14.794 3.213 16.947 177 H THR 20 H THR 20 -14.277 2.829 10.112 178 HA THR 20 HA THR 20 -14.809 0.081 9.214 179 HB THR 20 HB THR 20 -16.958 1.197 9.540 180 HG1 THR 20 1HG THR 20 -17.730 0.924 7.408 181 1HG2 THR 20 1HG2 THR 20 -15.681 3.368 7.996 182 2HG2 THR 20 2HG2 THR 20 -16.851 3.443 9.312 183 3HG2 THR 20 3HG2 THR 20 -17.384 3.036 7.680 184 H ILE 21 H ILE 21 -14.633 -0.201 6.867 185 HA ILE 21 HA ILE 21 -12.269 1.063 5.871 186 HB ILE 21 HB ILE 21 -14.167 -0.786 4.421 187 1HG1 ILE 21 2HG1 ILE 21 -13.316 -1.813 6.474 188 2HG1 ILE 21 1HG1 ILE 21 -12.598 -2.573 5.058 189 1HG2 ILE 21 1HG2 ILE 21 -12.230 -1.263 2.991 190 2HG2 ILE 21 2HG2 ILE 21 -11.298 -0.044 3.861 191 3HG2 ILE 21 3HG2 ILE 21 -12.709 0.433 2.914 192 1HD1 ILE 21 1HD1 ILE 21 -10.710 -2.326 6.247 193 2HD1 ILE 21 2HD1 ILE 21 -11.352 -0.985 7.195 194 3HD1 ILE 21 3HD1 ILE 21 -10.745 -0.701 5.563 195 H ASP 22 H ASP 22 -15.710 1.207 5.060 196 HA ASP 22 HA ASP 22 -15.594 2.713 2.738 197 1HB ASP 22 2HB ASP 22 -17.645 2.595 4.942 198 2HB ASP 22 1HB ASP 22 -17.879 3.592 3.510 199 H THR 23 H THR 23 -15.855 3.898 6.089 200 HA THR 23 HA THR 23 -15.756 6.636 5.413 201 HB THR 23 HB THR 23 -16.403 5.388 7.651 202 HG1 THR 23 1HG THR 23 -15.133 7.921 7.650 203 1HG2 THR 23 1HG2 THR 23 -14.135 4.576 8.156 204 2HG2 THR 23 2HG2 THR 23 -14.793 5.622 9.413 205 3HG2 THR 23 3HG2 THR 23 -13.593 6.250 8.283 206 H LEU 24 H LEU 24 -13.266 4.333 6.399 207 HA LEU 24 HA LEU 24 -11.098 6.090 6.531 208 1HB LEU 24 2HB LEU 24 -10.901 3.875 7.414 209 2HB LEU 24 1HB LEU 24 -11.257 3.155 5.858 210 HG LEU 24 HG LEU 24 -8.827 3.118 6.691 211 1HD1 LEU 24 1HD1 LEU 24 -9.884 2.899 4.253 212 2HD1 LEU 24 2HD1 LEU 24 -8.146 2.829 4.553 213 3HD1 LEU 24 3HD1 LEU 24 -8.886 4.330 3.994 214 1HD2 LEU 24 1HD2 LEU 24 -9.176 5.795 6.992 215 2HD2 LEU 24 2HD2 LEU 24 -8.385 5.721 5.416 216 3HD2 LEU 24 3HD2 LEU 24 -7.612 4.999 6.826 217 H GLU 25 H GLU 25 -12.506 4.379 3.775 218 HA GLU 25 HA GLU 25 -10.512 4.908 1.890 219 1HB GLU 25 2HB GLU 25 -12.678 3.462 1.725 220 2HB GLU 25 1HB GLU 25 -13.419 4.948 1.146 221 1HG GLU 25 2HG GLU 25 -10.887 4.088 -0.129 222 2HG GLU 25 1HG GLU 25 -12.348 3.167 -0.489 223 H ARG 26 H ARG 26 -13.208 6.868 3.014 224 HA ARG 26 HA ARG 26 -13.083 8.923 1.122 225 1HB ARG 26 2HB ARG 26 -14.935 8.678 2.707 226 2HB ARG 26 1HB ARG 26 -13.860 9.069 4.042 227 1HG ARG 26 2HG ARG 26 -13.473 11.258 2.599 228 2HG ARG 26 1HG ARG 26 -15.080 10.838 2.003 229 1HD ARG 26 2HD ARG 26 -16.077 11.335 3.962 230 2HD ARG 26 1HD ARG 26 -14.748 10.684 4.919 231 HE ARG 26 HE ARG 26 -13.835 13.029 3.750 232 1HH1 ARG 26 1HH1 ARG 26 -16.295 12.065 6.029 233 2HH1 ARG 26 2HH1 ARG 26 -16.265 13.567 6.889 234 1HH2 ARG 26 1HH2 ARG 26 -13.793 15.007 4.880 235 2HH2 ARG 26 2HH2 ARG 26 -14.844 15.238 6.237 236 H VAL 27 H VAL 27 -11.271 8.407 4.112 237 HA VAL 27 HA VAL 27 -9.971 10.944 4.021 238 HB VAL 27 HB VAL 27 -10.288 9.535 6.104 239 1HG1 VAL 27 1HG1 VAL 27 -8.495 7.782 4.637 240 2HG1 VAL 27 2HG1 VAL 27 -9.504 7.458 6.043 241 3HG1 VAL 27 3HG1 VAL 27 -7.903 8.166 6.251 242 1HG2 VAL 27 1HG2 VAL 27 -7.917 11.061 5.272 243 2HG2 VAL 27 2HG2 VAL 27 -7.722 10.092 6.734 244 3HG2 VAL 27 3HG2 VAL 27 -9.003 11.301 6.642 245 H ILE 28 H ILE 28 -9.373 7.852 2.575 246 HA ILE 28 HA ILE 28 -6.617 8.084 2.076 247 HB ILE 28 HB ILE 28 -8.635 6.726 0.286 248 1HG1 ILE 28 2HG1 ILE 28 -7.202 5.696 2.742 249 2HG1 ILE 28 1HG1 ILE 28 -8.935 5.910 2.545 250 1HG2 ILE 28 1HG2 ILE 28 -5.924 7.129 -0.066 251 2HG2 ILE 28 2HG2 ILE 28 -6.917 5.922 -0.882 252 3HG2 ILE 28 3HG2 ILE 28 -6.026 5.489 0.576 253 1HD1 ILE 28 1HD1 ILE 28 -8.381 4.244 0.485 254 2HD1 ILE 28 2HD1 ILE 28 -8.913 3.726 2.084 255 3HD1 ILE 28 3HD1 ILE 28 -7.196 3.724 1.683 256 H GLU 29 H GLU 29 -9.444 9.262 0.349 257 HA GLU 29 HA GLU 29 -7.969 10.225 -1.907 258 1HB GLU 29 2HB GLU 29 -10.590 9.710 -1.485 259 2HB GLU 29 1HB GLU 29 -10.587 11.455 -1.282 260 1HG GLU 29 2HG GLU 29 -9.680 11.767 -3.479 261 2HG GLU 29 1HG GLU 29 -9.472 10.028 -3.684 262 H LYS 30 H LYS 30 -9.112 11.603 1.118 263 HA LYS 30 HA LYS 30 -8.402 14.294 0.434 264 1HB LYS 30 2HB LYS 30 -9.909 13.074 2.438 265 2HB LYS 30 1HB LYS 30 -8.532 13.762 3.290 266 1HG LYS 30 2HG LYS 30 -9.270 15.851 3.028 267 2HG LYS 30 1HG LYS 30 -9.715 15.583 1.342 268 1HD LYS 30 2HD LYS 30 -11.436 14.186 3.250 269 2HD LYS 30 1HD LYS 30 -11.472 15.943 3.416 270 1HE LYS 30 2HE LYS 30 -11.930 16.121 0.991 271 2HE LYS 30 1HE LYS 30 -11.995 14.362 0.902 272 1HZ LYS 30 1HZ LYS 30 -13.732 14.810 2.858 273 2HZ LYS 30 2HZ LYS 30 -14.177 14.737 1.228 274 3HZ LYS 30 3HZ LYS 30 -13.939 16.237 1.971 275 H ASN 31 H ASN 31 -6.860 11.630 2.135 276 HA ASN 31 HA ASN 31 -4.635 13.210 3.029 277 1HB ASN 31 2HB ASN 31 -5.448 10.361 3.210 278 2HB ASN 31 1HB ASN 31 -3.726 10.707 3.334 279 1HD2 ASN 31 1HD2 ASN 31 -6.510 12.584 4.436 280 2HD2 ASN 31 2HD2 ASN 31 -6.077 12.574 6.108 281 H LYS 32 H LYS 32 -5.202 10.871 0.435 282 HA LYS 32 HA LYS 32 -2.583 10.691 -0.516 283 1HB LYS 32 2HB LYS 32 -3.499 9.791 -2.534 284 2HB LYS 32 1HB LYS 32 -4.494 9.226 -1.202 285 1HG LYS 32 2HG LYS 32 -6.167 9.839 -2.569 286 2HG LYS 32 1HG LYS 32 -5.861 11.432 -1.876 287 1HD LYS 32 2HD LYS 32 -4.239 11.797 -3.791 288 2HD LYS 32 1HD LYS 32 -4.922 10.341 -4.517 289 1HE LYS 32 2HE LYS 32 -6.774 12.485 -3.605 290 2HE LYS 32 1HE LYS 32 -5.861 12.738 -5.091 291 1HZ LYS 32 1HZ LYS 32 -8.125 11.674 -5.314 292 2HZ LYS 32 2HZ LYS 32 -7.450 10.286 -4.623 293 3HZ LYS 32 3HZ LYS 32 -6.848 10.879 -6.087 294 H TYR 33 H TYR 33 -5.090 13.079 -1.135 295 HA TYR 33 HA TYR 33 -3.455 14.444 -3.110 296 1HB TYR 33 2HB TYR 33 -5.927 14.278 -3.364 297 2HB TYR 33 1HB TYR 33 -6.109 15.280 -1.928 298 HD1 TYR 33 1HD TYR 33 -3.699 15.640 -4.743 299 HD2 TYR 33 2HD TYR 33 -7.075 17.252 -2.718 300 HE1 TYR 33 1HE TYR 33 -3.565 17.659 -6.140 301 HE2 TYR 33 2HE TYR 33 -6.951 19.276 -4.111 302 HH TYR 33 HH TYR 33 -5.193 19.472 -6.918 303 H GLU 34 H GLU 34 -4.016 14.551 0.274 304 HA GLU 34 HA GLU 34 -3.435 17.285 0.734 305 1HB GLU 34 2HB GLU 34 -3.991 14.939 2.310 306 2HB GLU 34 1HB GLU 34 -2.642 15.825 3.008 307 1HG GLU 34 2HG GLU 34 -4.278 17.873 2.593 308 2HG GLU 34 1HG GLU 34 -5.486 16.596 2.728 309 H LEU 35 H LEU 35 -1.388 14.630 1.911 310 HA LEU 35 HA LEU 35 0.940 16.174 1.990 311 1HB LEU 35 2HB LEU 35 2.114 14.228 2.520 312 2HB LEU 35 1HB LEU 35 0.536 14.000 3.194 313 HG LEU 35 HG LEU 35 1.956 12.409 1.208 314 1HD1 LEU 35 1HD1 LEU 35 1.344 10.928 2.720 315 2HD1 LEU 35 2HD1 LEU 35 -0.319 11.097 2.172 316 3HD1 LEU 35 3HD1 LEU 35 0.278 12.090 3.500 317 1HD2 LEU 35 1HD2 LEU 35 0.554 13.003 -0.495 318 2HD2 LEU 35 2HD2 LEU 35 -0.783 13.383 0.586 319 3HD2 LEU 35 3HD2 LEU 35 -0.374 11.705 0.249 320 H SER 36 H SER 36 2.837 14.443 0.774 321 HA SER 36 HA SER 36 2.394 15.065 -2.072 322 1HB SER 36 2HB SER 36 5.199 14.852 -1.393 323 2HB SER 36 1HB SER 36 4.334 16.195 -2.138 324 HG SER 36 HG SER 36 4.821 17.122 -0.300 325 H ASP 37 H ASP 37 4.280 13.765 -3.337 326 HA ASP 37 HA ASP 37 3.502 11.072 -3.256 327 1HB ASP 37 2HB ASP 37 6.009 12.263 -4.466 328 2HB ASP 37 1HB ASP 37 5.339 10.679 -4.841 329 H ASN 38 H ASN 38 5.944 12.818 -1.525 330 HA ASN 38 HA ASN 38 7.529 10.561 -0.805 331 1HB ASN 38 2HB ASN 38 8.641 12.083 0.750 332 2HB ASN 38 1HB ASN 38 8.448 12.837 -0.829 333 1HD2 ASN 38 1HD2 ASN 38 8.868 14.140 1.680 334 2HD2 ASN 38 2HD2 ASN 38 7.497 15.153 1.962 335 H GLU 39 H GLU 39 5.046 12.450 0.940 336 HA GLU 39 HA GLU 39 5.176 10.699 3.220 337 1HB GLU 39 2HB GLU 39 4.643 13.004 3.602 338 2HB GLU 39 1HB GLU 39 3.344 12.956 2.424 339 1HG GLU 39 2HG GLU 39 1.998 12.688 4.164 340 2HG GLU 39 1HG GLU 39 2.587 11.027 4.209 341 H LEU 40 H LEU 40 3.209 11.082 0.355 342 HA LEU 40 HA LEU 40 1.031 9.484 1.047 343 1HB LEU 40 2HB LEU 40 1.113 10.912 -0.928 344 2HB LEU 40 1HB LEU 40 2.302 9.858 -1.661 345 HG LEU 40 HG LEU 40 -0.232 8.567 -0.860 346 1HD1 LEU 40 1HD1 LEU 40 -1.008 10.742 -1.725 347 2HD1 LEU 40 2HD1 LEU 40 -1.468 9.393 -2.764 348 3HD1 LEU 40 3HD1 LEU 40 -0.123 10.440 -3.221 349 1HD2 LEU 40 1HD2 LEU 40 0.153 7.729 -3.298 350 2HD2 LEU 40 2HD2 LEU 40 1.185 7.144 -1.992 351 3HD2 LEU 40 3HD2 LEU 40 1.764 8.409 -3.076 352 H ALA 41 H ALA 41 4.250 8.629 -0.052 353 HA ALA 41 HA ALA 41 3.818 5.965 -0.770 354 1HB ALA 41 1HB ALA 41 6.178 7.442 0.335 355 2HB ALA 41 2HB ALA 41 5.952 6.734 -1.264 356 3HB ALA 41 3HB ALA 41 6.246 5.692 0.128 357 H VAL 42 H VAL 42 3.998 7.552 2.311 358 HA VAL 42 HA VAL 42 4.160 5.159 3.884 359 HB VAL 42 HB VAL 42 3.419 7.985 4.677 360 1HG1 VAL 42 1HG1 VAL 42 3.226 5.531 6.139 361 2HG1 VAL 42 2HG1 VAL 42 2.849 7.170 6.666 362 3HG1 VAL 42 3HG1 VAL 42 4.482 6.541 6.855 363 1HG2 VAL 42 1HG2 VAL 42 5.694 7.755 3.778 364 2HG2 VAL 42 2HG2 VAL 42 6.029 6.503 4.973 365 3HG2 VAL 42 3HG2 VAL 42 5.696 8.155 5.496 366 H PHE 43 H PHE 43 1.619 7.281 2.658 367 HA PHE 43 HA PHE 43 -0.455 6.069 4.229 368 1HB PHE 43 2HB PHE 43 -0.458 8.425 3.216 369 2HB PHE 43 1HB PHE 43 -0.881 7.641 1.696 370 HD1 PHE 43 1HD PHE 43 -2.092 8.910 4.805 371 HD2 PHE 43 2HD PHE 43 -2.978 6.216 1.634 372 HE1 PHE 43 1HE PHE 43 -4.460 8.912 5.472 373 HE2 PHE 43 2HE PHE 43 -5.347 6.213 2.293 374 HZ PHE 43 HZ PHE 43 -6.092 7.562 4.215 375 H TYR 44 H TYR 44 0.542 5.857 0.826 376 HA TYR 44 HA TYR 44 -1.409 4.055 -0.032 377 1HB TYR 44 2HB TYR 44 0.560 5.382 -1.281 378 2HB TYR 44 1HB TYR 44 1.318 3.796 -1.184 379 HD1 TYR 44 1HD TYR 44 -1.456 5.723 -2.616 380 HD2 TYR 44 2HD TYR 44 0.458 1.927 -2.458 381 HE1 TYR 44 1HE TYR 44 -2.734 5.004 -4.588 382 HE2 TYR 44 2HE TYR 44 -0.814 1.197 -4.431 383 HH TYR 44 HH TYR 44 -1.970 2.545 -6.479 384 H SER 45 H SER 45 1.777 3.469 1.396 385 HA SER 45 HA SER 45 1.834 0.687 1.095 386 1HB SER 45 2HB SER 45 3.113 2.516 3.129 387 2HB SER 45 1HB SER 45 3.411 0.778 3.096 388 HG SER 45 HG SER 45 4.946 2.085 1.897 389 H ALA 46 H ALA 46 0.537 2.707 3.697 390 HA ALA 46 HA ALA 46 -0.240 0.489 5.328 391 1HB ALA 46 1HB ALA 46 -1.578 2.299 6.534 392 2HB ALA 46 2HB ALA 46 -0.827 3.432 5.410 393 3HB ALA 46 3HB ALA 46 0.176 2.473 6.500 394 H ALA 47 H ALA 47 -1.759 2.386 2.818 395 HA ALA 47 HA ALA 47 -4.429 1.517 3.356 396 1HB ALA 47 1HB ALA 47 -4.587 2.314 0.806 397 2HB ALA 47 2HB ALA 47 -3.075 3.103 1.261 398 3HB ALA 47 3HB ALA 47 -4.552 3.438 2.165 399 H ASP 48 H ASP 48 -2.021 0.637 0.882 400 HA ASP 48 HA ASP 48 -3.531 -1.306 -0.431 401 1HB ASP 48 2HB ASP 48 -0.664 -0.616 -0.233 402 2HB ASP 48 1HB ASP 48 -1.010 -2.271 -0.727 403 H HIS 49 H HIS 49 -1.241 -1.677 2.268 404 HA HIS 49 HA HIS 49 -1.376 -4.443 2.537 405 1HB HIS 49 2HB HIS 49 -0.706 -2.184 4.360 406 2HB HIS 49 1HB HIS 49 -0.988 -3.761 5.086 407 HD1 HIS 49 1HD HIS 49 1.784 -2.026 4.631 408 HD2 HIS 49 2HD HIS 49 0.592 -5.566 2.812 409 HE1 HIS 49 1HE HIS 49 3.906 -3.128 3.853 410 HE2 HIS 49 2HE HIS 49 3.154 -5.230 2.685 411 H ARG 50 H ARG 50 -3.498 -1.932 3.829 412 HA ARG 50 HA ARG 50 -5.063 -3.690 5.430 413 1HB ARG 50 2HB ARG 50 -4.824 -1.065 5.462 414 2HB ARG 50 1HB ARG 50 -6.175 -1.137 4.339 415 1HG ARG 50 2HG ARG 50 -7.553 -1.287 6.058 416 2HG ARG 50 1HG ARG 50 -6.833 -2.844 6.471 417 1HD ARG 50 2HD ARG 50 -5.276 -0.506 7.322 418 2HD ARG 50 1HD ARG 50 -6.854 -0.657 8.091 419 HE ARG 50 HE ARG 50 -6.160 -2.637 9.107 420 1HH1 ARG 50 1HH1 ARG 50 -3.662 -1.363 7.017 421 2HH1 ARG 50 2HH1 ARG 50 -2.422 -2.365 7.689 422 1HH2 ARG 50 1HH2 ARG 50 -4.525 -3.951 9.982 423 2HH2 ARG 50 2HH2 ARG 50 -2.910 -3.833 9.368 424 H LEU 51 H LEU 51 -5.356 -2.433 2.146 425 HA LEU 51 HA LEU 51 -7.933 -3.564 1.669 426 1HB LEU 51 2HB LEU 51 -6.118 -1.848 0.313 427 2HB LEU 51 1HB LEU 51 -6.493 -3.174 -0.769 428 HG LEU 51 HG LEU 51 -8.826 -1.956 0.563 429 1HD1 LEU 51 1HD1 LEU 51 -8.771 0.112 -0.355 430 2HD1 LEU 51 2HD1 LEU 51 -7.807 -0.406 -1.739 431 3HD1 LEU 51 3HD1 LEU 51 -7.032 -0.126 -0.179 432 1HD2 LEU 51 1HD2 LEU 51 -9.427 -3.497 -1.031 433 2HD2 LEU 51 2HD2 LEU 51 -8.089 -3.077 -2.099 434 3HD2 LEU 51 3HD2 LEU 51 -9.484 -2.006 -1.972 435 H ALA 52 H ALA 52 -4.620 -4.518 0.866 436 HA ALA 52 HA ALA 52 -5.178 -6.777 -0.674 437 1HB ALA 52 1HB ALA 52 -2.918 -5.504 0.172 438 2HB ALA 52 2HB ALA 52 -2.956 -7.030 -0.710 439 3HB ALA 52 3HB ALA 52 -2.831 -7.030 1.050 440 H GLU 53 H GLU 53 -4.538 -6.555 2.820 441 HA GLU 53 HA GLU 53 -4.892 -9.285 3.367 442 1HB GLU 53 2HB GLU 53 -4.947 -8.679 5.670 443 2HB GLU 53 1HB GLU 53 -3.817 -7.596 4.876 444 1HG GLU 53 2HG GLU 53 -5.526 -5.850 4.821 445 2HG GLU 53 1HG GLU 53 -6.656 -6.934 5.627 446 H LEU 54 H LEU 54 -7.181 -6.585 3.394 447 HA LEU 54 HA LEU 54 -9.374 -8.003 4.432 448 1HB LEU 54 2HB LEU 54 -8.873 -5.416 3.326 449 2HB LEU 54 1HB LEU 54 -10.317 -6.069 2.577 450 HG LEU 54 HG LEU 54 -10.986 -6.597 5.075 451 1HD1 LEU 54 1HD1 LEU 54 -8.734 -4.685 5.292 452 2HD1 LEU 54 2HD1 LEU 54 -9.275 -5.936 6.412 453 3HD1 LEU 54 3HD1 LEU 54 -10.141 -4.402 6.316 454 1HD2 LEU 54 1HD2 LEU 54 -11.112 -3.795 3.970 455 2HD2 LEU 54 2HD2 LEU 54 -12.217 -4.533 5.131 456 3HD2 LEU 54 3HD2 LEU 54 -12.163 -5.119 3.468 457 H THR 55 H THR 55 -7.972 -7.871 1.253 458 HA THR 55 HA THR 55 -10.164 -8.838 -0.229 459 HB THR 55 HB THR 55 -7.271 -9.349 -0.899 460 HG1 THR 55 1HG THR 55 -8.754 -6.953 -1.041 461 1HG2 THR 55 1HG2 THR 55 -8.576 -10.327 -2.553 462 2HG2 THR 55 2HG2 THR 55 -8.174 -8.740 -3.209 463 3HG2 THR 55 3HG2 THR 55 -9.768 -9.029 -2.512 464 H MET 56 H MET 56 -7.474 -10.533 1.375 465 HA MET 56 HA MET 56 -8.718 -13.091 0.645 466 1HB MET 56 2HB MET 56 -6.202 -12.564 0.363 467 2HB MET 56 1HB MET 56 -6.104 -12.806 2.103 468 1HG MET 56 2HG MET 56 -6.895 -15.065 1.881 469 2HG MET 56 1HG MET 56 -7.172 -14.837 0.156 470 1HE MET 56 1HE MET 56 -5.646 -15.269 -1.588 471 2HE MET 56 2HE MET 56 -3.885 -15.308 -1.509 472 3HE MET 56 3HE MET 56 -4.742 -13.777 -1.328 473 H ASN 57 H ASN 57 -7.990 -11.079 3.393 474 HA ASN 57 HA ASN 57 -9.896 -11.778 5.120 475 1HB ASN 57 2HB ASN 57 -7.994 -14.010 4.912 476 2HB ASN 57 1HB ASN 57 -8.276 -13.475 6.565 477 1HD2 ASN 57 1HD2 ASN 57 -9.013 -15.975 5.761 478 2HD2 ASN 57 2HD2 ASN 57 -10.736 -16.091 5.715 479 H LYS 58 H LYS 58 -6.455 -12.296 5.812 480 HA LYS 58 HA LYS 58 -6.159 -9.622 6.888 481 1HB LYS 58 2HB LYS 58 -6.378 -12.055 8.589 482 2HB LYS 58 1HB LYS 58 -5.166 -10.862 9.034 483 1HG LYS 58 2HG LYS 58 -7.838 -9.779 8.464 484 2HG LYS 58 1HG LYS 58 -7.725 -10.822 9.882 485 1HD LYS 58 2HD LYS 58 -7.353 -8.495 10.494 486 2HD LYS 58 1HD LYS 58 -5.885 -9.444 10.738 487 1HE LYS 58 2HE LYS 58 -5.205 -8.661 8.405 488 2HE LYS 58 1HE LYS 58 -6.507 -7.482 8.549 489 1HZ LYS 58 1HZ LYS 58 -5.240 -7.098 10.852 490 2HZ LYS 58 2HZ LYS 58 -4.875 -6.242 9.441 491 3HZ LYS 58 3HZ LYS 58 -3.933 -7.573 9.888 492 H LEU 59 H LEU 59 -4.984 -11.162 4.734 493 HA LEU 59 HA LEU 59 -2.322 -11.846 5.638 494 1HB LEU 59 2HB LEU 59 -2.154 -13.065 3.768 495 2HB LEU 59 1HB LEU 59 -3.893 -12.878 3.711 496 HG LEU 59 HG LEU 59 -2.175 -10.866 2.322 497 1HD1 LEU 59 1HD1 LEU 59 -1.192 -12.805 1.476 498 2HD1 LEU 59 2HD1 LEU 59 -2.404 -12.343 0.281 499 3HD1 LEU 59 3HD1 LEU 59 -2.732 -13.661 1.407 500 1HD2 LEU 59 1HD2 LEU 59 -4.919 -11.316 2.593 501 2HD2 LEU 59 2HD2 LEU 59 -4.519 -11.806 0.947 502 3HD2 LEU 59 3HD2 LEU 59 -4.121 -10.182 1.504 503 H TYR 60 H TYR 60 -0.468 -10.731 5.213 504 HA TYR 60 HA TYR 60 -0.677 -8.245 3.677 505 1HB TYR 60 2HB TYR 60 0.802 -7.146 5.407 506 2HB TYR 60 1HB TYR 60 -0.873 -7.419 5.860 507 HD1 TYR 60 1HD TYR 60 1.079 -10.419 5.871 508 HD2 TYR 60 2HD TYR 60 0.078 -6.999 8.192 509 HE1 TYR 60 1HE TYR 60 1.831 -11.585 7.902 510 HE2 TYR 60 2HE TYR 60 0.822 -8.155 10.231 511 HH TYR 60 HH TYR 60 1.027 -10.935 10.799 512 H ASP 61 H ASP 61 1.320 -7.423 2.836 513 HA ASP 61 HA ASP 61 3.362 -7.578 1.848 514 1HB ASP 61 2HB ASP 61 3.681 -8.805 4.431 515 2HB ASP 61 1HB ASP 61 4.710 -9.613 3.254 516 H LYS 62 H LYS 62 2.639 -10.920 2.887 517 HA LYS 62 HA LYS 62 3.787 -12.203 0.713 518 1HB LYS 62 2HB LYS 62 1.678 -12.972 2.688 519 2HB LYS 62 1HB LYS 62 2.037 -14.043 1.340 520 1HG LYS 62 2HG LYS 62 3.611 -14.913 2.647 521 2HG LYS 62 1HG LYS 62 4.531 -13.441 2.325 522 1HD LYS 62 2HD LYS 62 2.926 -12.603 4.339 523 2HD LYS 62 1HD LYS 62 3.126 -14.304 4.765 524 1HE LYS 62 2HE LYS 62 5.066 -13.729 5.696 525 2HE LYS 62 1HE LYS 62 5.677 -13.476 4.061 526 1HZ LYS 62 1HZ LYS 62 4.437 -11.160 4.505 527 2HZ LYS 62 2HZ LYS 62 6.074 -11.421 4.838 528 3HZ LYS 62 3HZ LYS 62 4.931 -11.533 6.080 529 H ILE 63 H ILE 63 1.133 -10.178 0.566 530 HA ILE 63 HA ILE 63 -0.602 -11.505 -1.178 531 HB ILE 63 HB ILE 63 -0.017 -8.543 -1.000 532 1HG1 ILE 63 2HG1 ILE 63 -2.369 -8.779 0.210 533 2HG1 ILE 63 1HG1 ILE 63 -1.788 -10.413 0.508 534 1HG2 ILE 63 1HG2 ILE 63 -2.468 -8.502 -1.887 535 2HG2 ILE 63 2HG2 ILE 63 -2.079 -10.112 -2.489 536 3HG2 ILE 63 3HG2 ILE 63 -1.130 -8.721 -3.016 537 1HD1 ILE 63 1HD1 ILE 63 -1.231 -8.089 1.973 538 2HD1 ILE 63 2HD1 ILE 63 0.269 -8.538 1.165 539 3HD1 ILE 63 3HD1 ILE 63 -0.551 -9.701 2.208 540 HA PRO 64 HA PRO 64 2.303 -11.678 -4.648 541 1HB PRO 64 2HB PRO 64 0.082 -13.083 -5.973 542 2HB PRO 64 1HB PRO 64 1.723 -13.641 -5.641 543 1HG PRO 64 2HG PRO 64 -0.399 -14.615 -4.312 544 2HG PRO 64 1HG PRO 64 1.181 -14.408 -3.535 545 1HD PRO 64 2HD PRO 64 -1.263 -12.680 -3.359 546 2HD PRO 64 1HD PRO 64 -0.130 -13.170 -2.075 547 H SER 65 H SER 65 1.272 -11.772 -7.246 548 HA SER 65 HA SER 65 0.271 -9.034 -7.508 549 1HB SER 65 2HB SER 65 2.355 -9.679 -8.716 550 2HB SER 65 1HB SER 65 1.417 -10.849 -9.643 551 HG SER 65 HG SER 65 0.766 -8.097 -9.553 552 H SER 66 H SER 66 -0.635 -12.333 -8.027 553 HA SER 66 HA SER 66 -2.712 -11.876 -9.909 554 1HB SER 66 2HB SER 66 -1.478 -14.105 -8.993 555 2HB SER 66 1HB SER 66 -2.980 -14.181 -8.071 556 HG SER 66 HG SER 66 -2.549 -14.686 -10.693 557 H VAL 67 H VAL 67 -2.675 -12.252 -6.378 558 HA VAL 67 HA VAL 67 -5.481 -11.964 -6.052 559 HB VAL 67 HB VAL 67 -3.362 -11.367 -3.987 560 1HG1 VAL 67 1HG1 VAL 67 -6.209 -12.312 -3.679 561 2HG1 VAL 67 2HG1 VAL 67 -5.659 -10.653 -3.445 562 3HG1 VAL 67 3HG1 VAL 67 -5.079 -11.932 -2.380 563 1HG2 VAL 67 1HG2 VAL 67 -2.739 -13.502 -4.417 564 2HG2 VAL 67 2HG2 VAL 67 -4.291 -13.925 -5.143 565 3HG2 VAL 67 3HG2 VAL 67 -4.125 -13.865 -3.388 566 H TRP 68 H TRP 68 -2.769 -9.704 -5.918 567 HA TRP 68 HA TRP 68 -4.240 -7.470 -5.013 568 1HB TRP 68 2HB TRP 68 -1.552 -8.035 -5.798 569 2HB TRP 68 1HB TRP 68 -2.080 -6.587 -6.646 570 HD1 TRP 68 HD TRP 68 0.009 -6.946 -4.033 571 HE1 TRP 68 1HE TRP 68 -0.355 -5.318 -2.079 572 HE3 TRP 68 3HE TRP 68 -4.790 -5.510 -5.050 573 HZ2 TRP 68 2HZ TRP 68 -2.404 -3.645 -1.093 574 HZ3 TRP 68 3HZ TRP 68 -5.880 -3.892 -3.552 575 HH2 TRP 68 HH TRP 68 -4.708 -2.979 -1.614 576 H LYS 69 H LYS 69 -3.509 -8.708 -8.237 577 HA LYS 69 HA LYS 69 -4.534 -6.491 -9.664 578 1HB LYS 69 2HB LYS 69 -4.334 -7.810 -11.614 579 2HB LYS 69 1HB LYS 69 -3.018 -8.313 -10.565 580 1HG LYS 69 2HG LYS 69 -3.716 -10.412 -10.588 581 2HG LYS 69 1HG LYS 69 -5.343 -9.942 -10.102 582 1HD LYS 69 2HD LYS 69 -4.685 -9.329 -12.893 583 2HD LYS 69 1HD LYS 69 -4.684 -11.051 -12.505 584 1HE LYS 69 2HE LYS 69 -6.890 -10.856 -12.959 585 2HE LYS 69 1HE LYS 69 -6.955 -10.320 -11.280 586 1HZ LYS 69 1HZ LYS 69 -8.155 -8.845 -12.821 587 2HZ LYS 69 2HZ LYS 69 -6.701 -8.502 -13.614 588 3HZ LYS 69 3HZ LYS 69 -6.909 -8.047 -11.999 589 H PHE 70 H PHE 70 -6.037 -9.233 -8.158 590 HA PHE 70 HA PHE 70 -8.485 -9.195 -9.572 591 1HB PHE 70 2HB PHE 70 -7.659 -11.071 -8.120 592 2HB PHE 70 1HB PHE 70 -8.048 -10.084 -6.716 593 HD1 PHE 70 1HD PHE 70 -9.929 -10.595 -9.885 594 HD2 PHE 70 2HD PHE 70 -9.814 -11.143 -5.666 595 HE1 PHE 70 1HE PHE 70 -12.239 -11.441 -9.936 596 HE2 PHE 70 2HE PHE 70 -12.122 -11.992 -5.710 597 HZ PHE 70 HZ PHE 70 -13.338 -12.142 -7.847 598 H ILE 71 H ILE 71 -7.544 -7.773 -6.446 599 HA ILE 71 HA ILE 71 -10.058 -6.330 -6.287 600 HB ILE 71 HB ILE 71 -9.075 -7.296 -4.247 601 1HG1 ILE 71 2HG1 ILE 71 -8.843 -4.447 -3.588 602 2HG1 ILE 71 1HG1 ILE 71 -10.267 -4.833 -4.547 603 1HG2 ILE 71 1HG2 ILE 71 -6.873 -7.177 -3.970 604 2HG2 ILE 71 2HG2 ILE 71 -7.089 -5.485 -3.523 605 3HG2 ILE 71 3HG2 ILE 71 -6.722 -5.916 -5.193 606 1HD1 ILE 71 1HD1 ILE 71 -11.252 -5.373 -2.639 607 2HD1 ILE 71 2HD1 ILE 71 -9.726 -5.329 -1.757 608 3HD1 ILE 71 3HD1 ILE 71 -10.213 -6.797 -2.603 609 H ARG 72 H ARG 72 -10.306 -4.115 -6.401 610 HA ARG 72 HA ARG 72 -8.160 -2.284 -6.661 611 1HB ARG 72 2HB ARG 72 -8.943 -3.656 -9.055 612 2HB ARG 72 1HB ARG 72 -9.367 -1.956 -9.204 613 1HG ARG 72 2HG ARG 72 -6.941 -1.557 -8.351 614 2HG ARG 72 1HG ARG 72 -6.684 -3.217 -8.890 615 1HD ARG 72 2HD ARG 72 -7.493 -2.611 -11.121 616 2HD ARG 72 1HD ARG 72 -7.744 -0.953 -10.579 617 HE ARG 72 HE ARG 72 -5.254 -2.177 -11.314 618 1HH1 ARG 72 1HH1 ARG 72 -6.740 0.358 -9.433 619 2HH1 ARG 72 2HH1 ARG 72 -5.320 1.351 -9.418 620 1HH2 ARG 72 1HH2 ARG 72 -3.386 -0.874 -11.295 621 2HH2 ARG 72 2HH2 ARG 72 -3.417 0.651 -10.476 Start of MODEL 7 1 1H MET 1 1HT MET 1 13.393 5.329 18.932 2 2H MET 1 2HT MET 1 12.849 6.124 17.512 3 3H MET 1 3HT MET 1 14.146 5.002 17.428 4 HA MET 1 HA MET 1 12.557 3.309 18.280 5 1HB MET 1 2HB MET 1 10.898 4.926 19.089 6 2HB MET 1 1HB MET 1 10.640 5.497 17.446 7 1HG MET 1 2HG MET 1 8.918 4.073 17.476 8 2HG MET 1 1HG MET 1 10.152 2.861 17.135 9 1HE MET 1 1HE MET 1 10.780 0.828 19.692 10 2HE MET 1 2HE MET 1 10.327 1.041 18.001 11 3HE MET 1 3HE MET 1 9.164 0.375 19.147 12 H SER 2 H SER 2 11.812 5.563 15.611 13 HA SER 2 HA SER 2 12.730 3.596 13.681 14 1HB SER 2 2HB SER 2 9.866 4.551 13.811 15 2HB SER 2 1HB SER 2 10.573 3.824 12.369 16 HG SER 2 HG SER 2 10.153 1.978 13.254 17 H GLU 3 H GLU 3 10.601 6.437 13.450 18 HA GLU 3 HA GLU 3 12.756 7.990 12.258 19 1HB GLU 3 2HB GLU 3 11.473 6.651 10.464 20 2HB GLU 3 1HB GLU 3 10.150 7.767 10.774 21 1HG GLU 3 2HG GLU 3 11.092 9.362 9.555 22 2HG GLU 3 1HG GLU 3 12.646 9.165 10.364 23 H LYS 4 H LYS 4 12.512 10.184 12.487 24 HA LYS 4 HA LYS 4 10.837 11.109 14.543 25 1HB LYS 4 2HB LYS 4 12.977 12.128 12.998 26 2HB LYS 4 1HB LYS 4 11.659 13.282 12.858 27 1HG LYS 4 2HG LYS 4 12.268 14.117 14.813 28 2HG LYS 4 1HG LYS 4 11.762 12.604 15.566 29 1HD LYS 4 2HD LYS 4 14.161 11.829 14.742 30 2HD LYS 4 1HD LYS 4 14.484 13.561 14.850 31 1HE LYS 4 2HE LYS 4 13.434 13.394 17.192 32 2HE LYS 4 1HE LYS 4 13.673 11.656 17.020 33 1HZ LYS 4 1HZ LYS 4 15.920 13.492 16.529 34 2HZ LYS 4 2HZ LYS 4 15.948 11.878 17.035 35 3HZ LYS 4 3HZ LYS 4 15.497 13.095 18.120 36 HA PRO 5 HA PRO 5 8.092 13.178 11.209 37 1HB PRO 5 2HB PRO 5 8.609 12.815 8.601 38 2HB PRO 5 1HB PRO 5 9.465 14.028 9.560 39 1HG PRO 5 2HG PRO 5 10.355 11.289 8.741 40 2HG PRO 5 1HG PRO 5 11.268 12.808 8.736 41 1HD PRO 5 2HD PRO 5 11.476 10.931 10.710 42 2HD PRO 5 1HD PRO 5 11.763 12.662 10.970 43 H LEU 6 H LEU 6 7.831 10.538 12.235 44 HA LEU 6 HA LEU 6 6.499 8.707 12.083 45 1HB LEU 6 2HB LEU 6 5.215 10.304 9.869 46 2HB LEU 6 1HB LEU 6 4.528 8.866 10.599 47 HG LEU 6 HG LEU 6 3.428 10.756 11.550 48 1HD1 LEU 6 1HD1 LEU 6 5.461 9.886 13.591 49 2HD1 LEU 6 2HD1 LEU 6 4.114 8.876 13.067 50 3HD1 LEU 6 3HD1 LEU 6 3.803 10.416 13.869 51 1HD2 LEU 6 1HD2 LEU 6 6.025 11.865 12.549 52 2HD2 LEU 6 2HD2 LEU 6 4.457 12.660 12.400 53 3HD2 LEU 6 3HD2 LEU 6 5.403 12.298 10.956 54 H THR 7 H THR 7 6.257 6.745 10.996 55 HA THR 7 HA THR 7 7.742 6.520 8.464 56 HB THR 7 HB THR 7 7.911 4.017 9.572 57 HG1 THR 7 1HG THR 7 7.094 4.769 11.557 58 1HG2 THR 7 1HG2 THR 7 10.197 5.080 10.514 59 2HG2 THR 7 2HG2 THR 7 9.739 6.294 9.320 60 3HG2 THR 7 3HG2 THR 7 9.937 4.610 8.834 61 H LYS 8 H LYS 8 7.213 4.170 7.524 62 HA LYS 8 HA LYS 8 4.641 4.264 6.507 63 1HB LYS 8 2HB LYS 8 5.035 1.865 5.849 64 2HB LYS 8 1HB LYS 8 6.290 2.994 5.353 65 1HG LYS 8 2HG LYS 8 7.805 2.191 6.924 66 2HG LYS 8 1HG LYS 8 6.541 1.431 7.894 67 1HD LYS 8 2HD LYS 8 7.302 0.556 5.109 68 2HD LYS 8 1HD LYS 8 7.933 -0.175 6.585 69 1HE LYS 8 2HE LYS 8 5.120 -0.081 6.836 70 2HE LYS 8 1HE LYS 8 5.475 -0.697 5.224 71 1HZ LYS 8 1HZ LYS 8 7.044 -1.824 7.395 72 2HZ LYS 8 2HZ LYS 8 6.362 -2.581 6.045 73 3HZ LYS 8 3HZ LYS 8 5.400 -2.227 7.390 74 H THR 9 H THR 9 5.816 2.739 9.426 75 HA THR 9 HA THR 9 3.439 1.208 9.891 76 HB THR 9 HB THR 9 5.067 1.767 12.249 77 HG1 THR 9 1HG THR 9 6.912 0.683 11.416 78 1HG2 THR 9 1HG2 THR 9 3.656 -0.162 12.189 79 2HG2 THR 9 2HG2 THR 9 5.340 -0.684 12.234 80 3HG2 THR 9 3HG2 THR 9 4.439 -0.740 10.719 81 H ASP 10 H ASP 10 4.664 4.342 10.932 82 HA ASP 10 HA ASP 10 2.930 4.879 13.027 83 1HB ASP 10 2HB ASP 10 4.338 6.619 11.036 84 2HB ASP 10 1HB ASP 10 3.198 7.337 12.169 85 H TYR 11 H TYR 11 2.460 5.612 9.570 86 HA TYR 11 HA TYR 11 -0.193 6.606 9.984 87 1HB TYR 11 2HB TYR 11 1.482 5.984 7.575 88 2HB TYR 11 1HB TYR 11 -0.241 6.295 7.388 89 HD1 TYR 11 1HD TYR 11 -0.729 8.439 6.717 90 HD2 TYR 11 2HD TYR 11 2.576 7.827 9.324 91 HE1 TYR 11 1HE TYR 11 -0.298 10.859 6.728 92 HE2 TYR 11 2HE TYR 11 3.018 10.246 9.342 93 HH TYR 11 HH TYR 11 1.511 12.395 8.933 94 H LEU 12 H LEU 12 1.209 3.549 8.938 95 HA LEU 12 HA LEU 12 -1.072 2.254 8.028 96 1HB LEU 12 2HB LEU 12 1.124 1.308 7.734 97 2HB LEU 12 1HB LEU 12 1.339 1.154 9.466 98 HG LEU 12 HG LEU 12 0.804 -0.963 8.128 99 1HD1 LEU 12 1HD1 LEU 12 -1.163 -0.611 10.331 100 2HD1 LEU 12 2HD1 LEU 12 0.556 -0.439 10.686 101 3HD1 LEU 12 3HD1 LEU 12 -0.057 -1.945 10.002 102 1HD2 LEU 12 1HD2 LEU 12 -1.636 -1.379 7.857 103 2HD2 LEU 12 2HD2 LEU 12 -0.985 -0.170 6.752 104 3HD2 LEU 12 3HD2 LEU 12 -1.915 0.335 8.162 105 H MET 13 H MET 13 0.220 2.376 11.348 106 HA MET 13 HA MET 13 -1.926 0.819 12.420 107 1HB MET 13 2HB MET 13 -1.004 1.536 14.631 108 2HB MET 13 1HB MET 13 0.169 0.765 13.572 109 1HG MET 13 2HG MET 13 1.493 2.533 13.638 110 2HG MET 13 1HG MET 13 0.177 3.606 13.166 111 1HE MET 13 1HE MET 13 -1.719 2.758 16.071 112 2HE MET 13 2HE MET 13 -1.772 4.072 14.895 113 3HE MET 13 3HE MET 13 -1.474 4.424 16.598 114 H ARG 14 H ARG 14 -1.309 4.238 11.991 115 HA ARG 14 HA ARG 14 -3.447 5.118 13.675 116 1HB ARG 14 2HB ARG 14 -1.288 6.339 12.486 117 2HB ARG 14 1HB ARG 14 -2.634 6.953 11.539 118 1HG ARG 14 2HG ARG 14 -3.372 8.250 13.203 119 2HG ARG 14 1HG ARG 14 -3.086 7.011 14.428 120 1HD ARG 14 2HD ARG 14 -0.775 7.578 14.569 121 2HD ARG 14 1HD ARG 14 -0.885 8.628 13.158 122 HE ARG 14 HE ARG 14 -2.641 9.735 14.892 123 1HH1 ARG 14 1HH1 ARG 14 0.709 8.795 15.160 124 2HH1 ARG 14 2HH1 ARG 14 1.088 10.017 16.326 125 1HH2 ARG 14 1HH2 ARG 14 -2.144 11.344 16.425 126 2HH2 ARG 14 2HH2 ARG 14 -0.532 11.465 17.045 127 H LEU 15 H LEU 15 -3.194 4.026 10.409 128 HA LEU 15 HA LEU 15 -5.569 5.263 9.424 129 1HB LEU 15 2HB LEU 15 -3.560 4.276 8.123 130 2HB LEU 15 1HB LEU 15 -4.380 2.738 8.319 131 HG LEU 15 HG LEU 15 -6.189 4.755 7.291 132 1HD1 LEU 15 1HD1 LEU 15 -4.673 5.873 6.045 133 2HD1 LEU 15 2HD1 LEU 15 -4.878 4.490 4.969 134 3HD1 LEU 15 3HD1 LEU 15 -3.507 4.551 6.076 135 1HD2 LEU 15 1HD2 LEU 15 -5.195 2.218 6.009 136 2HD2 LEU 15 2HD2 LEU 15 -6.720 3.055 5.716 137 3HD2 LEU 15 3HD2 LEU 15 -6.435 2.256 7.263 138 H ARG 16 H ARG 16 -4.802 2.021 10.654 139 HA ARG 16 HA ARG 16 -7.365 0.918 10.268 140 1HB ARG 16 2HB ARG 16 -5.101 -0.233 10.820 141 2HB ARG 16 1HB ARG 16 -5.553 0.050 12.495 142 1HG ARG 16 2HG ARG 16 -7.827 -1.066 11.457 143 2HG ARG 16 1HG ARG 16 -6.548 -1.918 10.590 144 1HD ARG 16 2HD ARG 16 -6.937 -1.711 13.569 145 2HD ARG 16 1HD ARG 16 -7.037 -3.158 12.569 146 HE ARG 16 HE ARG 16 -4.475 -1.850 12.486 147 1HH1 ARG 16 1HH1 ARG 16 -6.450 -4.191 14.158 148 2HH1 ARG 16 2HH1 ARG 16 -5.098 -5.044 14.822 149 1HH2 ARG 16 1HH2 ARG 16 -2.695 -2.971 13.358 150 2HH2 ARG 16 2HH2 ARG 16 -2.966 -4.352 14.369 151 H ARG 17 H ARG 17 -6.236 3.193 12.555 152 HA ARG 17 HA ARG 17 -7.735 2.647 14.818 153 1HB ARG 17 2HB ARG 17 -6.800 5.219 13.584 154 2HB ARG 17 1HB ARG 17 -7.763 5.225 15.054 155 1HG ARG 17 2HG ARG 17 -5.961 3.524 15.886 156 2HG ARG 17 1HG ARG 17 -4.983 4.258 14.613 157 1HD ARG 17 2HD ARG 17 -4.714 6.162 15.763 158 2HD ARG 17 1HD ARG 17 -6.401 6.199 16.272 159 HE ARG 17 HE ARG 17 -4.167 5.174 17.753 160 1HH1 ARG 17 1HH1 ARG 17 -7.622 4.971 17.303 161 2HH1 ARG 17 2HH1 ARG 17 -7.921 4.375 18.901 162 1HH2 ARG 17 1HH2 ARG 17 -4.558 4.389 19.854 163 2HH2 ARG 17 2HH2 ARG 17 -6.182 4.045 20.350 164 H CYS 18 H CYS 18 -8.781 3.841 11.730 165 HA CYS 18 HA CYS 18 -11.177 5.083 12.410 166 1HB CYS 18 2HB CYS 18 -9.904 4.600 10.077 167 2HB CYS 18 1HB CYS 18 -11.199 3.413 9.963 168 HG CYS 18 HG CYS 18 -11.501 6.347 9.486 169 H GLN 19 H GLN 19 -13.396 4.221 11.957 170 HA GLN 19 HA GLN 19 -13.810 1.852 13.526 171 1HB GLN 19 2HB GLN 19 -15.850 3.480 12.006 172 2HB GLN 19 1HB GLN 19 -16.172 2.337 13.302 173 1HG GLN 19 2HG GLN 19 -14.481 4.007 14.559 174 2HG GLN 19 1HG GLN 19 -15.230 5.120 13.417 175 1HE2 GLN 19 1HE2 GLN 19 -15.469 3.790 16.424 176 2HE2 GLN 19 2HE2 GLN 19 -17.142 4.085 16.735 177 H THR 20 H THR 20 -14.186 2.755 10.137 178 HA THR 20 HA THR 20 -14.080 -0.051 9.394 179 HB THR 20 HB THR 20 -16.502 0.475 9.706 180 HG1 THR 20 1HG THR 20 -17.106 -0.414 7.716 181 1HG2 THR 20 1HG2 THR 20 -16.170 2.877 8.751 182 2HG2 THR 20 2HG2 THR 20 -17.672 1.999 8.464 183 3HG2 THR 20 3HG2 THR 20 -16.443 2.080 7.203 184 H ILE 21 H ILE 21 -13.935 -0.304 6.985 185 HA ILE 21 HA ILE 21 -11.989 1.533 5.972 186 HB ILE 21 HB ILE 21 -13.329 -0.867 4.723 187 1HG1 ILE 21 2HG1 ILE 21 -11.018 -1.823 4.966 188 2HG1 ILE 21 1HG1 ILE 21 -10.572 -0.378 5.866 189 1HG2 ILE 21 1HG2 ILE 21 -11.134 0.868 3.600 190 2HG2 ILE 21 2HG2 ILE 21 -12.749 0.640 2.933 191 3HG2 ILE 21 3HG2 ILE 21 -11.606 -0.703 2.953 192 1HD1 ILE 21 1HD1 ILE 21 -11.831 -0.968 7.692 193 2HD1 ILE 21 2HD1 ILE 21 -11.271 -2.538 7.119 194 3HD1 ILE 21 3HD1 ILE 21 -12.909 -1.999 6.752 195 H ASP 22 H ASP 22 -15.414 1.031 5.523 196 HA ASP 22 HA ASP 22 -15.854 2.322 3.109 197 1HB ASP 22 2HB ASP 22 -17.470 1.779 5.533 198 2HB ASP 22 1HB ASP 22 -18.069 3.051 4.472 199 H THR 23 H THR 23 -15.807 3.743 6.377 200 HA THR 23 HA THR 23 -16.086 6.417 5.383 201 HB THR 23 HB THR 23 -15.831 5.096 8.023 202 HG1 THR 23 1HG THR 23 -17.801 5.892 7.028 203 1HG2 THR 23 1HG2 THR 23 -15.463 7.215 9.207 204 2HG2 THR 23 2HG2 THR 23 -15.052 7.980 7.672 205 3HG2 THR 23 3HG2 THR 23 -14.045 6.678 8.308 206 H LEU 24 H LEU 24 -13.454 4.301 6.290 207 HA LEU 24 HA LEU 24 -11.418 6.265 6.432 208 1HB LEU 24 2HB LEU 24 -11.587 3.557 6.910 209 2HB LEU 24 1HB LEU 24 -10.573 3.629 5.482 210 HG LEU 24 HG LEU 24 -10.032 5.137 8.031 211 1HD1 LEU 24 1HD1 LEU 24 -9.466 3.107 8.808 212 2HD1 LEU 24 2HD1 LEU 24 -8.033 3.321 7.803 213 3HD1 LEU 24 3HD1 LEU 24 -9.406 2.395 7.196 214 1HD2 LEU 24 1HD2 LEU 24 -9.103 5.634 5.493 215 2HD2 LEU 24 2HD2 LEU 24 -7.830 4.636 6.193 216 3HD2 LEU 24 3HD2 LEU 24 -8.323 6.129 6.994 217 H GLU 25 H GLU 25 -12.779 4.367 3.819 218 HA GLU 25 HA GLU 25 -10.868 4.850 1.844 219 1HB GLU 25 2HB GLU 25 -12.806 3.273 1.666 220 2HB GLU 25 1HB GLU 25 -13.856 4.661 1.417 221 1HG GLU 25 2HG GLU 25 -13.497 4.262 -0.749 222 2HG GLU 25 1HG GLU 25 -11.968 5.098 -0.475 223 H ARG 26 H ARG 26 -13.419 6.863 3.115 224 HA ARG 26 HA ARG 26 -13.420 8.833 1.089 225 1HB ARG 26 2HB ARG 26 -15.246 8.673 2.686 226 2HB ARG 26 1HB ARG 26 -14.151 9.014 4.019 227 1HG ARG 26 2HG ARG 26 -14.005 11.249 3.509 228 2HG ARG 26 1HG ARG 26 -14.415 10.997 1.810 229 1HD ARG 26 2HD ARG 26 -16.668 10.916 2.224 230 2HD ARG 26 1HD ARG 26 -16.452 10.335 3.875 231 HE ARG 26 HE ARG 26 -15.522 13.023 3.466 232 1HH1 ARG 26 1HH1 ARG 26 -18.291 11.037 4.219 233 2HH1 ARG 26 2HH1 ARG 26 -19.140 12.310 5.030 234 1HH2 ARG 26 1HH2 ARG 26 -16.638 14.698 4.532 235 2HH2 ARG 26 2HH2 ARG 26 -18.202 14.389 5.207 236 H VAL 27 H VAL 27 -11.468 8.310 3.963 237 HA VAL 27 HA VAL 27 -10.147 10.857 3.747 238 HB VAL 27 HB VAL 27 -10.489 9.631 5.931 239 1HG1 VAL 27 1HG1 VAL 27 -8.720 7.715 4.598 240 2HG1 VAL 27 2HG1 VAL 27 -9.833 7.493 5.944 241 3HG1 VAL 27 3HG1 VAL 27 -8.224 8.149 6.232 242 1HG2 VAL 27 1HG2 VAL 27 -7.918 10.111 6.530 243 2HG2 VAL 27 2HG2 VAL 27 -9.114 11.384 6.285 244 3HG2 VAL 27 3HG2 VAL 27 -8.023 10.936 4.974 245 H ILE 28 H ILE 28 -9.638 7.629 2.562 246 HA ILE 28 HA ILE 28 -6.894 7.711 2.031 247 HB ILE 28 HB ILE 28 -9.012 6.365 0.344 248 1HG1 ILE 28 2HG1 ILE 28 -9.238 5.611 2.619 249 2HG1 ILE 28 1HG1 ILE 28 -8.438 4.343 1.701 250 1HG2 ILE 28 1HG2 ILE 28 -6.418 5.070 0.559 251 2HG2 ILE 28 2HG2 ILE 28 -6.322 6.667 -0.180 252 3HG2 ILE 28 3HG2 ILE 28 -7.385 5.440 -0.868 253 1HD1 ILE 28 1HD1 ILE 28 -7.143 4.351 3.562 254 2HD1 ILE 28 2HD1 ILE 28 -7.392 6.070 3.867 255 3HD1 ILE 28 3HD1 ILE 28 -6.274 5.552 2.606 256 H GLU 29 H GLU 29 -9.656 8.913 0.202 257 HA GLU 29 HA GLU 29 -8.100 9.738 -2.057 258 1HB GLU 29 2HB GLU 29 -10.920 9.892 -1.210 259 2HB GLU 29 1HB GLU 29 -10.384 11.220 -2.229 260 1HG GLU 29 2HG GLU 29 -11.390 9.359 -3.490 261 2HG GLU 29 1HG GLU 29 -9.728 9.705 -3.964 262 H LYS 30 H LYS 30 -9.467 11.357 0.780 263 HA LYS 30 HA LYS 30 -8.700 13.976 0.079 264 1HB LYS 30 2HB LYS 30 -10.294 13.069 1.962 265 2HB LYS 30 1HB LYS 30 -8.831 13.106 2.938 266 1HG LYS 30 2HG LYS 30 -8.569 15.505 2.348 267 2HG LYS 30 1HG LYS 30 -10.131 15.426 1.530 268 1HD LYS 30 2HD LYS 30 -10.747 14.359 3.952 269 2HD LYS 30 1HD LYS 30 -9.498 15.524 4.399 270 1HE LYS 30 2HE LYS 30 -10.721 17.321 3.416 271 2HE LYS 30 1HE LYS 30 -11.876 16.209 2.681 272 1HZ LYS 30 1HZ LYS 30 -13.081 16.744 4.486 273 2HZ LYS 30 2HZ LYS 30 -11.736 17.205 5.404 274 3HZ LYS 30 3HZ LYS 30 -12.134 15.567 5.249 275 H ASN 31 H ASN 31 -7.107 11.540 2.126 276 HA ASN 31 HA ASN 31 -4.870 13.148 2.769 277 1HB ASN 31 2HB ASN 31 -5.769 10.470 3.312 278 2HB ASN 31 1HB ASN 31 -4.067 10.441 2.865 279 1HD2 ASN 31 1HD2 ASN 31 -2.610 10.984 4.342 280 2HD2 ASN 31 2HD2 ASN 31 -2.960 11.688 5.880 281 H LYS 32 H LYS 32 -5.605 11.036 0.084 282 HA LYS 32 HA LYS 32 -3.036 10.648 -0.942 283 1HB LYS 32 2HB LYS 32 -5.788 10.442 -1.946 284 2HB LYS 32 1HB LYS 32 -4.600 10.791 -3.194 285 1HG LYS 32 2HG LYS 32 -3.282 8.824 -2.154 286 2HG LYS 32 1HG LYS 32 -4.830 8.396 -1.424 287 1HD LYS 32 2HD LYS 32 -5.862 8.192 -3.573 288 2HD LYS 32 1HD LYS 32 -4.440 8.859 -4.377 289 1HE LYS 32 2HE LYS 32 -3.936 6.490 -2.710 290 2HE LYS 32 1HE LYS 32 -4.963 6.208 -4.115 291 1HZ LYS 32 1HZ LYS 32 -3.000 5.970 -5.147 292 2HZ LYS 32 2HZ LYS 32 -2.141 6.848 -3.985 293 3HZ LYS 32 3HZ LYS 32 -3.002 7.662 -5.192 294 H TYR 33 H TYR 33 -5.317 13.307 -1.398 295 HA TYR 33 HA TYR 33 -3.355 14.716 -3.055 296 1HB TYR 33 2HB TYR 33 -6.033 14.469 -3.381 297 2HB TYR 33 1HB TYR 33 -5.963 15.989 -2.496 298 HD1 TYR 33 1HD TYR 33 -6.024 17.859 -3.829 299 HD2 TYR 33 2HD TYR 33 -4.038 14.388 -5.283 300 HE1 TYR 33 1HE TYR 33 -5.479 19.050 -5.910 301 HE2 TYR 33 2HE TYR 33 -3.487 15.571 -7.367 302 HH TYR 33 HH TYR 33 -3.269 18.436 -7.856 303 H GLU 34 H GLU 34 -3.976 14.428 0.153 304 HA GLU 34 HA GLU 34 -3.882 17.198 0.914 305 1HB GLU 34 2HB GLU 34 -4.770 15.012 2.190 306 2HB GLU 34 1HB GLU 34 -3.152 15.089 2.870 307 1HG GLU 34 2HG GLU 34 -3.539 17.242 3.776 308 2HG GLU 34 1HG GLU 34 -5.040 17.424 2.870 309 H LEU 35 H LEU 35 -1.634 14.542 1.728 310 HA LEU 35 HA LEU 35 0.498 16.373 2.210 311 1HB LEU 35 2HB LEU 35 1.790 14.549 2.836 312 2HB LEU 35 1HB LEU 35 0.181 14.112 3.310 313 HG LEU 35 HG LEU 35 2.022 12.747 1.546 314 1HD1 LEU 35 1HD1 LEU 35 0.580 12.069 3.632 315 2HD1 LEU 35 2HD1 LEU 35 1.016 10.902 2.387 316 3HD1 LEU 35 3HD1 LEU 35 -0.589 11.632 2.389 317 1HD2 LEU 35 1HD2 LEU 35 -0.599 13.551 0.409 318 2HD2 LEU 35 2HD2 LEU 35 -0.063 11.890 0.168 319 3HD2 LEU 35 3HD2 LEU 35 0.939 13.229 -0.389 320 H SER 36 H SER 36 2.621 14.828 1.102 321 HA SER 36 HA SER 36 2.366 15.527 -1.745 322 1HB SER 36 2HB SER 36 3.887 17.057 -0.517 323 2HB SER 36 1HB SER 36 4.864 15.670 -0.035 324 HG SER 36 HG SER 36 4.338 16.395 -2.727 325 H ASP 37 H ASP 37 4.431 14.402 -2.885 326 HA ASP 37 HA ASP 37 3.836 11.670 -2.972 327 1HB ASP 37 2HB ASP 37 5.979 11.499 -4.295 328 2HB ASP 37 1HB ASP 37 4.830 12.693 -4.890 329 H ASN 38 H ASN 38 5.996 13.471 -0.936 330 HA ASN 38 HA ASN 38 7.677 11.297 -0.208 331 1HB ASN 38 2HB ASN 38 8.082 13.852 0.014 332 2HB ASN 38 1HB ASN 38 7.235 13.683 1.549 333 1HD2 ASN 38 1HD2 ASN 38 8.074 11.872 2.951 334 2HD2 ASN 38 2HD2 ASN 38 9.790 11.698 3.045 335 H GLU 39 H GLU 39 4.903 12.830 1.469 336 HA GLU 39 HA GLU 39 5.041 10.857 3.569 337 1HB GLU 39 2HB GLU 39 2.544 12.354 3.431 338 2HB GLU 39 1HB GLU 39 3.702 12.225 4.738 339 1HG GLU 39 2HG GLU 39 5.123 13.863 3.365 340 2HG GLU 39 1HG GLU 39 3.634 14.171 2.472 341 H LEU 40 H LEU 40 3.318 11.325 0.592 342 HA LEU 40 HA LEU 40 1.171 9.586 0.952 343 1HB LEU 40 2HB LEU 40 1.362 11.085 -0.945 344 2HB LEU 40 1HB LEU 40 2.735 10.185 -1.555 345 HG LEU 40 HG LEU 40 0.323 8.560 -1.163 346 1HD1 LEU 40 1HD1 LEU 40 -0.631 10.753 -1.884 347 2HD1 LEU 40 2HD1 LEU 40 -0.925 9.422 -3.002 348 3HD1 LEU 40 3HD1 LEU 40 0.322 10.616 -3.361 349 1HD2 LEU 40 1HD2 LEU 40 1.172 7.385 -2.896 350 2HD2 LEU 40 2HD2 LEU 40 2.654 8.233 -2.450 351 3HD2 LEU 40 3HD2 LEU 40 1.661 8.831 -3.779 352 H ALA 41 H ALA 41 4.539 8.943 0.224 353 HA ALA 41 HA ALA 41 4.346 6.296 -0.646 354 1HB ALA 41 1HB ALA 41 6.456 7.390 -0.798 355 2HB ALA 41 2HB ALA 41 6.660 6.052 0.333 356 3HB ALA 41 3HB ALA 41 6.494 7.701 0.938 357 H VAL 42 H VAL 42 4.237 7.735 2.532 358 HA VAL 42 HA VAL 42 4.237 5.249 3.967 359 HB VAL 42 HB VAL 42 3.435 8.017 4.893 360 1HG1 VAL 42 1HG1 VAL 42 2.978 7.169 6.903 361 2HG1 VAL 42 2HG1 VAL 42 4.458 6.213 6.915 362 3HG1 VAL 42 3HG1 VAL 42 3.004 5.575 6.148 363 1HG2 VAL 42 1HG2 VAL 42 6.045 6.678 4.565 364 2HG2 VAL 42 2HG2 VAL 42 5.807 7.573 6.066 365 3HG2 VAL 42 3HG2 VAL 42 5.631 8.391 4.513 366 H PHE 43 H PHE 43 1.864 7.423 2.577 367 HA PHE 43 HA PHE 43 -0.382 6.274 3.940 368 1HB PHE 43 2HB PHE 43 -0.154 8.625 2.861 369 2HB PHE 43 1HB PHE 43 -0.569 7.803 1.361 370 HD1 PHE 43 1HD PHE 43 -1.790 7.823 4.893 371 HD2 PHE 43 2HD PHE 43 -2.761 7.955 0.752 372 HE1 PHE 43 1HE PHE 43 -4.177 7.996 5.463 373 HE2 PHE 43 2HE PHE 43 -5.147 8.128 1.313 374 HZ PHE 43 HZ PHE 43 -5.860 8.150 3.672 375 H TYR 44 H TYR 44 1.094 5.889 0.751 376 HA TYR 44 HA TYR 44 -0.855 4.198 -0.360 377 1HB TYR 44 2HB TYR 44 1.223 5.415 -1.428 378 2HB TYR 44 1HB TYR 44 2.035 3.892 -1.080 379 HD1 TYR 44 1HD TYR 44 -0.757 5.431 -2.955 380 HD2 TYR 44 2HD TYR 44 1.656 1.969 -2.418 381 HE1 TYR 44 1HE TYR 44 -1.676 4.477 -5.027 382 HE2 TYR 44 2HE TYR 44 0.745 1.005 -4.489 383 HH TYR 44 HH TYR 44 -1.992 2.154 -6.003 384 H SER 45 H SER 45 2.181 3.442 1.331 385 HA SER 45 HA SER 45 2.010 0.656 1.140 386 1HB SER 45 2HB SER 45 3.567 0.631 3.079 387 2HB SER 45 1HB SER 45 4.073 1.754 1.818 388 HG SER 45 HG SER 45 4.163 2.605 3.996 389 H ALA 46 H ALA 46 0.604 2.916 3.434 390 HA ALA 46 HA ALA 46 -0.350 0.877 5.213 391 1HB ALA 46 1HB ALA 46 -1.675 2.802 6.189 392 2HB ALA 46 2HB ALA 46 -0.884 3.827 4.992 393 3HB ALA 46 3HB ALA 46 0.079 2.976 6.200 394 H ALA 47 H ALA 47 -1.590 2.561 2.422 395 HA ALA 47 HA ALA 47 -4.326 1.811 2.832 396 1HB ALA 47 1HB ALA 47 -4.277 2.433 0.229 397 2HB ALA 47 2HB ALA 47 -2.784 3.222 0.741 398 3HB ALA 47 3HB ALA 47 -4.315 3.647 1.508 399 H ASP 48 H ASP 48 -1.798 0.745 0.553 400 HA ASP 48 HA ASP 48 -3.271 -1.287 -0.672 401 1HB ASP 48 2HB ASP 48 -0.408 -0.580 -0.438 402 2HB ASP 48 1HB ASP 48 -0.749 -2.258 -0.846 403 H HIS 49 H HIS 49 -1.141 -1.399 2.163 404 HA HIS 49 HA HIS 49 -1.229 -4.154 2.612 405 1HB HIS 49 2HB HIS 49 -0.542 -1.759 4.193 406 2HB HIS 49 1HB HIS 49 -1.017 -3.166 5.140 407 HD1 HIS 49 1HD HIS 49 1.166 -3.997 6.006 408 HD2 HIS 49 2HD HIS 49 1.289 -3.213 1.928 409 HE1 HIS 49 1HE HIS 49 3.411 -4.822 5.231 410 HE2 HIS 49 2HE HIS 49 3.429 -4.415 2.745 411 H ARG 50 H ARG 50 -3.293 -1.578 3.943 412 HA ARG 50 HA ARG 50 -4.925 -3.242 5.504 413 1HB ARG 50 2HB ARG 50 -5.318 -0.520 4.295 414 2HB ARG 50 1HB ARG 50 -6.613 -1.306 5.185 415 1HG ARG 50 2HG ARG 50 -3.871 -0.795 6.312 416 2HG ARG 50 1HG ARG 50 -5.250 0.287 6.525 417 1HD ARG 50 2HD ARG 50 -6.329 -1.143 7.942 418 2HD ARG 50 1HD ARG 50 -5.609 -2.579 7.217 419 HE ARG 50 HE ARG 50 -3.758 -0.892 8.653 420 1HH1 ARG 50 1HH1 ARG 50 -5.962 -3.593 8.852 421 2HH1 ARG 50 2HH1 ARG 50 -5.205 -4.268 10.255 422 1HH2 ARG 50 1HH2 ARG 50 -2.764 -1.779 10.499 423 2HH2 ARG 50 2HH2 ARG 50 -3.390 -3.238 11.191 424 H LEU 51 H LEU 51 -5.295 -2.088 2.172 425 HA LEU 51 HA LEU 51 -7.809 -3.326 1.734 426 1HB LEU 51 2HB LEU 51 -6.066 -1.633 0.306 427 2HB LEU 51 1HB LEU 51 -6.293 -3.053 -0.696 428 HG LEU 51 HG LEU 51 -8.856 -2.575 -0.060 429 1HD1 LEU 51 1HD1 LEU 51 -8.893 -0.653 1.136 430 2HD1 LEU 51 2HD1 LEU 51 -8.884 0.061 -0.476 431 3HD1 LEU 51 3HD1 LEU 51 -7.384 -0.061 0.443 432 1HD2 LEU 51 1HD2 LEU 51 -9.104 -1.640 -2.231 433 2HD2 LEU 51 2HD2 LEU 51 -7.764 -2.783 -2.312 434 3HD2 LEU 51 3HD2 LEU 51 -7.442 -1.050 -2.237 435 H ALA 52 H ALA 52 -4.504 -4.404 1.469 436 HA ALA 52 HA ALA 52 -4.891 -6.669 -0.146 437 1HB ALA 52 1HB ALA 52 -2.684 -6.697 0.040 438 2HB ALA 52 2HB ALA 52 -2.831 -7.213 1.721 439 3HB ALA 52 3HB ALA 52 -2.764 -5.495 1.328 440 H GLU 53 H GLU 53 -4.791 -6.372 3.405 441 HA GLU 53 HA GLU 53 -5.348 -9.083 3.930 442 1HB GLU 53 2HB GLU 53 -6.056 -8.205 6.206 443 2HB GLU 53 1HB GLU 53 -4.415 -7.827 5.700 444 1HG GLU 53 2HG GLU 53 -4.991 -5.584 5.204 445 2HG GLU 53 1HG GLU 53 -6.714 -5.925 5.351 446 H LEU 54 H LEU 54 -7.394 -6.344 3.229 447 HA LEU 54 HA LEU 54 -9.841 -7.344 4.161 448 1HB LEU 54 2HB LEU 54 -8.928 -5.179 2.464 449 2HB LEU 54 1HB LEU 54 -10.421 -5.870 1.859 450 HG LEU 54 HG LEU 54 -11.504 -5.463 4.016 451 1HD1 LEU 54 1HD1 LEU 54 -10.042 -5.514 5.738 452 2HD1 LEU 54 2HD1 LEU 54 -10.022 -3.772 5.464 453 3HD1 LEU 54 3HD1 LEU 54 -8.739 -4.785 4.801 454 1HD2 LEU 54 1HD2 LEU 54 -10.249 -2.847 3.414 455 2HD2 LEU 54 2HD2 LEU 54 -11.950 -3.277 3.586 456 3HD2 LEU 54 3HD2 LEU 54 -11.088 -3.671 2.099 457 H THR 55 H THR 55 -8.076 -7.890 1.179 458 HA THR 55 HA THR 55 -10.215 -9.344 -0.080 459 HB THR 55 HB THR 55 -7.283 -9.143 -0.802 460 HG1 THR 55 1HG THR 55 -8.006 -7.172 -1.169 461 1HG2 THR 55 1HG2 THR 55 -9.607 -10.352 -2.231 462 2HG2 THR 55 2HG2 THR 55 -7.967 -10.968 -2.030 463 3HG2 THR 55 3HG2 THR 55 -8.275 -9.627 -3.132 464 H MET 56 H MET 56 -7.312 -10.111 1.742 465 HA MET 56 HA MET 56 -7.802 -12.981 1.431 466 1HB MET 56 2HB MET 56 -5.512 -11.386 2.555 467 2HB MET 56 1HB MET 56 -5.638 -13.123 2.781 468 1HG MET 56 2HG MET 56 -4.389 -13.172 0.918 469 2HG MET 56 1HG MET 56 -5.956 -13.004 0.127 470 1HE MET 56 1HE MET 56 -2.311 -11.010 0.026 471 2HE MET 56 2HE MET 56 -2.959 -11.163 -1.607 472 3HE MET 56 3HE MET 56 -2.974 -12.550 -0.519 473 H ASN 57 H ASN 57 -9.405 -11.018 3.114 474 HA ASN 57 HA ASN 57 -10.655 -11.260 5.000 475 1HB ASN 57 2HB ASN 57 -9.628 -13.821 4.709 476 2HB ASN 57 1HB ASN 57 -9.170 -13.371 6.349 477 1HD2 ASN 57 1HD2 ASN 57 -11.532 -14.724 4.495 478 2HD2 ASN 57 2HD2 ASN 57 -12.874 -14.544 5.569 479 H LYS 58 H LYS 58 -7.330 -12.170 5.920 480 HA LYS 58 HA LYS 58 -6.914 -9.649 7.236 481 1HB LYS 58 2HB LYS 58 -7.475 -12.144 8.799 482 2HB LYS 58 1HB LYS 58 -6.396 -10.921 9.453 483 1HG LYS 58 2HG LYS 58 -9.309 -10.630 8.768 484 2HG LYS 58 1HG LYS 58 -8.553 -10.533 10.357 485 1HD LYS 58 2HD LYS 58 -8.294 -8.575 8.079 486 2HD LYS 58 1HD LYS 58 -9.062 -8.307 9.643 487 1HE LYS 58 2HE LYS 58 -6.129 -8.875 9.226 488 2HE LYS 58 1HE LYS 58 -6.824 -7.274 9.478 489 1HZ LYS 58 1HZ LYS 58 -7.768 -8.311 11.612 490 2HZ LYS 58 2HZ LYS 58 -6.129 -7.896 11.579 491 3HZ LYS 58 3HZ LYS 58 -6.595 -9.510 11.386 492 H LEU 59 H LEU 59 -5.551 -10.963 5.165 493 HA LEU 59 HA LEU 59 -3.019 -11.657 6.504 494 1HB LEU 59 2HB LEU 59 -3.918 -13.587 5.351 495 2HB LEU 59 1HB LEU 59 -4.107 -12.660 3.877 496 HG LEU 59 HG LEU 59 -2.126 -14.276 4.028 497 1HD1 LEU 59 1HD1 LEU 59 -0.998 -13.046 2.471 498 2HD1 LEU 59 2HD1 LEU 59 -1.156 -11.542 3.380 499 3HD1 LEU 59 3HD1 LEU 59 -2.534 -12.180 2.484 500 1HD2 LEU 59 1HD2 LEU 59 -1.114 -12.040 5.778 501 2HD2 LEU 59 2HD2 LEU 59 -0.096 -13.284 5.052 502 3HD2 LEU 59 3HD2 LEU 59 -1.331 -13.731 6.230 503 H TYR 60 H TYR 60 -1.522 -10.150 6.282 504 HA TYR 60 HA TYR 60 -1.293 -8.746 3.723 505 1HB TYR 60 2HB TYR 60 -1.224 -6.618 4.647 506 2HB TYR 60 1HB TYR 60 -2.477 -7.395 5.604 507 HD1 TYR 60 1HD TYR 60 1.069 -6.362 5.602 508 HD2 TYR 60 2HD TYR 60 -2.236 -7.641 7.953 509 HE1 TYR 60 1HE TYR 60 2.310 -5.786 7.648 510 HE2 TYR 60 2HE TYR 60 -1.008 -7.067 10.007 511 HH TYR 60 HH TYR 60 0.831 -5.614 10.707 512 H ASP 61 H ASP 61 0.829 -7.716 3.418 513 HA ASP 61 HA ASP 61 3.111 -7.521 3.686 514 1HB ASP 61 2HB ASP 61 2.530 -8.304 6.197 515 2HB ASP 61 1HB ASP 61 3.388 -9.738 5.639 516 H LYS 62 H LYS 62 1.473 -10.597 3.476 517 HA LYS 62 HA LYS 62 3.672 -11.617 1.805 518 1HB LYS 62 2HB LYS 62 1.749 -12.952 3.655 519 2HB LYS 62 1HB LYS 62 2.302 -13.846 2.245 520 1HG LYS 62 2HG LYS 62 4.439 -14.016 3.015 521 2HG LYS 62 1HG LYS 62 4.343 -12.516 3.940 522 1HD LYS 62 2HD LYS 62 3.138 -13.549 5.683 523 2HD LYS 62 1HD LYS 62 2.780 -14.969 4.699 524 1HE LYS 62 2HE LYS 62 4.726 -15.950 5.207 525 2HE LYS 62 1HE LYS 62 5.636 -14.454 5.000 526 1HZ LYS 62 1HZ LYS 62 3.948 -14.600 7.360 527 2HZ LYS 62 2HZ LYS 62 5.507 -13.970 7.180 528 3HZ LYS 62 3HZ LYS 62 5.285 -15.638 7.348 529 H ILE 63 H ILE 63 1.450 -9.804 1.023 530 HA ILE 63 HA ILE 63 -0.416 -11.304 -0.521 531 HB ILE 63 HB ILE 63 0.340 -8.412 -0.921 532 1HG1 ILE 63 2HG1 ILE 63 -2.062 -8.646 0.567 533 2HG1 ILE 63 1HG1 ILE 63 -0.870 -9.673 1.359 534 1HG2 ILE 63 1HG2 ILE 63 -1.348 -8.291 -2.371 535 2HG2 ILE 63 2HG2 ILE 63 -2.435 -9.177 -1.303 536 3HG2 ILE 63 3HG2 ILE 63 -1.340 -10.054 -2.372 537 1HD1 ILE 63 1HD1 ILE 63 -0.588 -6.742 0.742 538 2HD1 ILE 63 2HD1 ILE 63 0.674 -7.755 1.445 539 3HD1 ILE 63 3HD1 ILE 63 -0.827 -7.474 2.330 540 HA PRO 64 HA PRO 64 2.500 -12.043 -3.865 541 1HB PRO 64 2HB PRO 64 0.905 -13.621 -5.356 542 2HB PRO 64 1HB PRO 64 1.675 -14.199 -3.875 543 1HG PRO 64 2HG PRO 64 -1.128 -13.242 -4.303 544 2HG PRO 64 1HG PRO 64 -0.554 -14.642 -3.379 545 1HD PRO 64 2HD PRO 64 -1.249 -12.270 -2.226 546 2HD PRO 64 1HD PRO 64 -0.030 -13.369 -1.539 547 H SER 65 H SER 65 1.857 -12.270 -6.455 548 HA SER 65 HA SER 65 0.932 -9.589 -7.110 549 1HB SER 65 2HB SER 65 2.140 -11.708 -8.903 550 2HB SER 65 1HB SER 65 1.856 -10.021 -9.332 551 HG SER 65 HG SER 65 3.624 -11.005 -7.341 552 H SER 66 H SER 66 -0.106 -12.892 -7.368 553 HA SER 66 HA SER 66 -2.036 -12.516 -9.419 554 1HB SER 66 2HB SER 66 -2.860 -14.713 -8.801 555 2HB SER 66 1HB SER 66 -1.097 -14.733 -8.779 556 HG SER 66 HG SER 66 -1.675 -15.676 -6.902 557 H VAL 67 H VAL 67 -2.250 -12.586 -5.872 558 HA VAL 67 HA VAL 67 -5.038 -12.235 -5.713 559 HB VAL 67 HB VAL 67 -2.979 -11.347 -3.688 560 1HG1 VAL 67 1HG1 VAL 67 -4.800 -10.516 -2.681 561 2HG1 VAL 67 2HG1 VAL 67 -5.189 -12.198 -2.319 562 3HG1 VAL 67 3HG1 VAL 67 -5.903 -11.410 -3.727 563 1HG2 VAL 67 1HG2 VAL 67 -2.775 -13.473 -2.922 564 2HG2 VAL 67 2HG2 VAL 67 -3.140 -13.853 -4.606 565 3HG2 VAL 67 3HG2 VAL 67 -4.418 -13.916 -3.391 566 H TRP 68 H TRP 68 -2.421 -9.836 -5.314 567 HA TRP 68 HA TRP 68 -4.055 -7.593 -5.046 568 1HB TRP 68 2HB TRP 68 -1.266 -8.119 -5.324 569 2HB TRP 68 1HB TRP 68 -1.686 -6.832 -6.447 570 HD1 TRP 68 HD TRP 68 0.007 -6.664 -3.578 571 HE1 TRP 68 1HE TRP 68 -0.706 -4.816 -1.939 572 HE3 TRP 68 3HE TRP 68 -4.692 -5.741 -5.376 573 HZ2 TRP 68 2HZ TRP 68 -2.957 -3.183 -1.465 574 HZ3 TRP 68 3HZ TRP 68 -6.058 -4.020 -4.272 575 HH2 TRP 68 HH TRP 68 -5.208 -2.768 -2.356 576 H LYS 69 H LYS 69 -2.932 -9.276 -7.908 577 HA LYS 69 HA LYS 69 -3.693 -7.296 -9.793 578 1HB LYS 69 2HB LYS 69 -2.094 -9.125 -10.280 579 2HB LYS 69 1HB LYS 69 -3.416 -10.280 -10.195 580 1HG LYS 69 2HG LYS 69 -3.867 -9.943 -12.333 581 2HG LYS 69 1HG LYS 69 -4.154 -8.231 -12.016 582 1HD LYS 69 2HD LYS 69 -2.462 -8.312 -13.665 583 2HD LYS 69 1HD LYS 69 -1.643 -7.924 -12.151 584 1HE LYS 69 2HE LYS 69 -1.853 -10.791 -12.667 585 2HE LYS 69 1HE LYS 69 -0.931 -9.921 -13.893 586 1HZ LYS 69 1HZ LYS 69 -0.305 -9.235 -11.146 587 2HZ LYS 69 2HZ LYS 69 0.727 -9.493 -12.460 588 3HZ LYS 69 3HZ LYS 69 0.106 -10.813 -11.604 589 H PHE 70 H PHE 70 -5.399 -9.869 -8.169 590 HA PHE 70 HA PHE 70 -7.673 -9.865 -9.901 591 1HB PHE 70 2HB PHE 70 -7.049 -11.804 -8.480 592 2HB PHE 70 1HB PHE 70 -7.455 -10.859 -7.051 593 HD1 PHE 70 1HD PHE 70 -8.770 -12.664 -9.941 594 HD2 PHE 70 2HD PHE 70 -9.756 -10.385 -6.485 595 HE1 PHE 70 1HE PHE 70 -11.106 -13.417 -10.116 596 HE2 PHE 70 2HE PHE 70 -12.094 -11.134 -6.653 597 HZ PHE 70 HZ PHE 70 -12.772 -12.652 -8.470 598 H ILE 71 H ILE 71 -7.044 -8.529 -6.663 599 HA ILE 71 HA ILE 71 -9.546 -7.043 -6.765 600 HB ILE 71 HB ILE 71 -8.806 -8.213 -4.678 601 1HG1 ILE 71 2HG1 ILE 71 -10.426 -6.275 -4.753 602 2HG1 ILE 71 1HG1 ILE 71 -9.627 -6.528 -3.206 603 1HG2 ILE 71 1HG2 ILE 71 -6.830 -5.968 -4.368 604 2HG2 ILE 71 2HG2 ILE 71 -6.390 -7.571 -4.957 605 3HG2 ILE 71 3HG2 ILE 71 -7.050 -7.378 -3.333 606 1HD1 ILE 71 1HD1 ILE 71 -9.544 -4.242 -3.462 607 2HD1 ILE 71 2HD1 ILE 71 -9.241 -4.340 -5.196 608 3HD1 ILE 71 3HD1 ILE 71 -7.960 -4.741 -4.053 609 H ARG 72 H ARG 72 -9.631 -5.079 -7.610 610 HA ARG 72 HA ARG 72 -7.421 -3.222 -7.188 611 1HB ARG 72 2HB ARG 72 -8.447 -4.099 -9.877 612 2HB ARG 72 1HB ARG 72 -7.693 -2.526 -9.657 613 1HG ARG 72 2HG ARG 72 -6.032 -4.518 -8.472 614 2HG ARG 72 1HG ARG 72 -6.449 -5.012 -10.113 615 1HD ARG 72 2HD ARG 72 -5.349 -3.260 -11.067 616 2HD ARG 72 1HD ARG 72 -5.645 -2.188 -9.699 617 HE ARG 72 HE ARG 72 -3.666 -2.871 -8.777 618 1HH1 ARG 72 1HH1 ARG 72 -4.564 -5.106 -11.302 619 2HH1 ARG 72 2HH1 ARG 72 -3.058 -5.962 -11.252 620 1HH2 ARG 72 1HH2 ARG 72 -1.685 -3.993 -8.712 621 2HH2 ARG 72 2HH2 ARG 72 -1.425 -5.329 -9.782 Start of MODEL 8 1 1H MET 1 1HT MET 1 13.322 0.048 14.226 2 2H MET 1 2HT MET 1 13.034 0.605 12.629 3 3H MET 1 3HT MET 1 11.767 0.616 13.785 4 HA MET 1 HA MET 1 13.179 2.141 15.124 5 1HB MET 1 2HB MET 1 14.558 2.428 12.447 6 2HB MET 1 1HB MET 1 14.916 3.329 13.914 7 1HG MET 1 2HG MET 1 15.230 0.782 14.779 8 2HG MET 1 1HG MET 1 15.737 0.636 13.097 9 1HE MET 1 1HE MET 1 17.887 2.056 12.065 10 2HE MET 1 2HE MET 1 18.516 3.446 12.951 11 3HE MET 1 3HE MET 1 16.826 3.412 12.448 12 H SER 2 H SER 2 12.090 4.010 15.291 13 HA SER 2 HA SER 2 10.541 4.901 12.948 14 1HB SER 2 2HB SER 2 9.005 4.148 14.611 15 2HB SER 2 1HB SER 2 9.873 4.992 15.892 16 HG SER 2 HG SER 2 8.640 6.629 15.489 17 H GLU 3 H GLU 3 11.178 6.765 12.114 18 HA GLU 3 HA GLU 3 13.021 8.475 13.501 19 1HB GLU 3 2HB GLU 3 12.791 9.891 11.419 20 2HB GLU 3 1HB GLU 3 13.367 8.250 11.162 21 1HG GLU 3 2HG GLU 3 11.310 7.551 10.273 22 2HG GLU 3 1HG GLU 3 10.477 8.988 10.862 23 H LYS 4 H LYS 4 12.502 10.985 13.120 24 HA LYS 4 HA LYS 4 10.532 11.656 14.992 25 1HB LYS 4 2HB LYS 4 12.487 13.035 13.404 26 2HB LYS 4 1HB LYS 4 10.967 13.917 13.341 27 1HG LYS 4 2HG LYS 4 11.120 13.403 15.985 28 2HG LYS 4 1HG LYS 4 12.832 13.514 15.576 29 1HD LYS 4 2HD LYS 4 12.472 15.706 14.583 30 2HD LYS 4 1HD LYS 4 10.743 15.590 14.916 31 1HE LYS 4 2HE LYS 4 11.017 16.271 17.021 32 2HE LYS 4 1HE LYS 4 12.331 15.128 17.295 33 1HZ LYS 4 1HZ LYS 4 13.566 16.926 15.786 34 2HZ LYS 4 2HZ LYS 4 13.516 17.017 17.473 35 3HZ LYS 4 3HZ LYS 4 12.439 17.934 16.546 36 HA PRO 5 HA PRO 5 7.844 13.077 11.149 37 1HB PRO 5 2HB PRO 5 8.915 11.251 9.078 38 2HB PRO 5 1HB PRO 5 8.454 12.951 8.949 39 1HG PRO 5 2HG PRO 5 11.022 12.211 8.935 40 2HG PRO 5 1HG PRO 5 10.495 13.704 9.738 41 1HD PRO 5 2HD PRO 5 11.206 11.054 10.935 42 2HD PRO 5 1HD PRO 5 11.572 12.691 11.518 43 H LEU 6 H LEU 6 6.643 11.358 9.318 44 HA LEU 6 HA LEU 6 5.556 9.332 11.129 45 1HB LEU 6 2HB LEU 6 4.516 10.435 8.519 46 2HB LEU 6 1HB LEU 6 3.716 9.189 9.456 47 HG LEU 6 HG LEU 6 2.630 11.283 9.887 48 1HD1 LEU 6 1HD1 LEU 6 3.483 9.616 11.819 49 2HD1 LEU 6 2HD1 LEU 6 2.459 11.021 12.118 50 3HD1 LEU 6 3HD1 LEU 6 4.201 11.129 12.374 51 1HD2 LEU 6 1HD2 LEU 6 3.695 13.260 10.538 52 2HD2 LEU 6 2HD2 LEU 6 4.714 12.622 9.249 53 3HD2 LEU 6 3HD2 LEU 6 5.200 12.427 10.933 54 H THR 7 H THR 7 6.341 7.345 10.978 55 HA THR 7 HA THR 7 7.724 6.469 8.593 56 HB THR 7 HB THR 7 8.211 4.434 9.909 57 HG1 THR 7 1HG THR 7 6.788 5.696 12.006 58 1HG2 THR 7 1HG2 THR 7 9.937 5.688 10.535 59 2HG2 THR 7 2HG2 THR 7 9.059 5.900 12.049 60 3HG2 THR 7 3HG2 THR 7 8.932 7.116 10.778 61 H LYS 8 H LYS 8 7.280 3.999 8.069 62 HA LYS 8 HA LYS 8 4.823 3.886 6.746 63 1HB LYS 8 2HB LYS 8 7.139 2.227 7.024 64 2HB LYS 8 1HB LYS 8 5.703 1.226 7.195 65 1HG LYS 8 2HG LYS 8 6.103 1.148 4.927 66 2HG LYS 8 1HG LYS 8 4.898 2.430 5.053 67 1HD LYS 8 2HD LYS 8 6.329 3.681 3.874 68 2HD LYS 8 1HD LYS 8 7.279 3.781 5.356 69 1HE LYS 8 2HE LYS 8 7.611 1.532 3.392 70 2HE LYS 8 1HE LYS 8 8.491 3.050 3.233 71 1HZ LYS 8 1HZ LYS 8 8.553 1.506 5.749 72 2HZ LYS 8 2HZ LYS 8 9.647 2.673 5.198 73 3HZ LYS 8 3HZ LYS 8 9.608 1.144 4.476 74 H THR 9 H THR 9 5.780 2.731 9.918 75 HA THR 9 HA THR 9 3.322 1.303 10.365 76 HB THR 9 HB THR 9 5.472 0.635 11.419 77 HG1 THR 9 1HG THR 9 4.425 -0.105 13.103 78 1HG2 THR 9 1HG2 THR 9 6.371 2.843 11.952 79 2HG2 THR 9 2HG2 THR 9 6.291 1.802 13.374 80 3HG2 THR 9 3HG2 THR 9 5.089 3.073 13.141 81 H ASP 10 H ASP 10 4.618 4.471 11.143 82 HA ASP 10 HA ASP 10 2.825 5.296 13.091 83 1HB ASP 10 2HB ASP 10 4.418 6.726 11.003 84 2HB ASP 10 1HB ASP 10 3.224 7.630 11.930 85 H TYR 11 H TYR 11 2.539 5.661 9.559 86 HA TYR 11 HA TYR 11 -0.113 6.744 9.740 87 1HB TYR 11 2HB TYR 11 1.824 6.151 7.603 88 2HB TYR 11 1HB TYR 11 0.138 5.972 7.133 89 HD1 TYR 11 1HD TYR 11 -1.405 7.925 7.330 90 HD2 TYR 11 2HD TYR 11 2.792 8.299 7.919 91 HE1 TYR 11 1HE TYR 11 -1.584 10.359 7.025 92 HE2 TYR 11 2HE TYR 11 2.624 10.732 7.615 93 HH TYR 11 HH TYR 11 1.152 12.365 6.600 94 H LEU 12 H LEU 12 1.294 3.624 8.847 95 HA LEU 12 HA LEU 12 -1.015 2.307 8.041 96 1HB LEU 12 2HB LEU 12 1.185 1.357 7.717 97 2HB LEU 12 1HB LEU 12 1.425 1.229 9.447 98 HG LEU 12 HG LEU 12 0.849 -0.905 8.147 99 1HD1 LEU 12 1HD1 LEU 12 -1.116 -0.651 10.323 100 2HD1 LEU 12 2HD1 LEU 12 0.545 -0.222 10.730 101 3HD1 LEU 12 3HD1 LEU 12 0.181 -1.823 10.088 102 1HD2 LEU 12 1HD2 LEU 12 -1.201 -1.234 7.271 103 2HD2 LEU 12 2HD2 LEU 12 -1.216 0.527 7.167 104 3HD2 LEU 12 3HD2 LEU 12 -2.005 -0.283 8.520 105 H MET 13 H MET 13 0.383 2.544 11.305 106 HA MET 13 HA MET 13 -1.639 0.982 12.542 107 1HB MET 13 2HB MET 13 -0.696 1.702 14.638 108 2HB MET 13 1HB MET 13 0.613 1.365 13.516 109 1HG MET 13 2HG MET 13 1.440 3.374 13.897 110 2HG MET 13 1HG MET 13 -0.024 4.095 13.233 111 1HE MET 13 1HE MET 13 -2.098 2.864 15.459 112 2HE MET 13 2HE MET 13 -2.248 4.491 14.799 113 3HE MET 13 3HE MET 13 -2.234 4.247 16.546 114 H ARG 14 H ARG 14 -1.333 4.376 11.782 115 HA ARG 14 HA ARG 14 -3.530 5.201 13.440 116 1HB ARG 14 2HB ARG 14 -1.725 6.505 11.464 117 2HB ARG 14 1HB ARG 14 -3.272 7.276 11.784 118 1HG ARG 14 2HG ARG 14 -2.757 7.548 14.085 119 2HG ARG 14 1HG ARG 14 -1.330 6.518 13.950 120 1HD ARG 14 2HD ARG 14 -0.223 8.141 12.568 121 2HD ARG 14 1HD ARG 14 -1.679 9.133 12.492 122 HE ARG 14 HE ARG 14 0.249 9.046 14.615 123 1HH1 ARG 14 1HH1 ARG 14 -3.077 9.737 13.817 124 2HH1 ARG 14 2HH1 ARG 14 -3.308 10.805 15.159 125 1HH2 ARG 14 1HH2 ARG 14 -0.053 10.451 16.382 126 2HH2 ARG 14 2HH2 ARG 14 -1.592 11.210 16.617 127 H LEU 15 H LEU 15 -3.104 4.149 10.142 128 HA LEU 15 HA LEU 15 -5.552 5.096 9.097 129 1HB LEU 15 2HB LEU 15 -3.384 4.001 7.989 130 2HB LEU 15 1HB LEU 15 -4.388 2.565 8.065 131 HG LEU 15 HG LEU 15 -5.849 4.814 6.958 132 1HD1 LEU 15 1HD1 LEU 15 -4.594 5.463 5.194 133 2HD1 LEU 15 2HD1 LEU 15 -3.770 3.909 5.067 134 3HD1 LEU 15 3HD1 LEU 15 -3.271 5.072 6.295 135 1HD2 LEU 15 1HD2 LEU 15 -6.575 3.230 5.412 136 2HD2 LEU 15 2HD2 LEU 15 -6.285 2.282 6.871 137 3HD2 LEU 15 3HD2 LEU 15 -5.103 2.270 5.562 138 H ARG 16 H ARG 16 -4.623 1.979 10.517 139 HA ARG 16 HA ARG 16 -7.116 0.713 10.154 140 1HB ARG 16 2HB ARG 16 -4.690 -0.143 10.934 141 2HB ARG 16 1HB ARG 16 -5.475 -0.049 12.503 142 1HG ARG 16 2HG ARG 16 -7.308 -1.472 11.594 143 2HG ARG 16 1HG ARG 16 -6.348 -1.671 10.126 144 1HD ARG 16 2HD ARG 16 -5.728 -3.540 11.307 145 2HD ARG 16 1HD ARG 16 -4.481 -2.399 11.810 146 HE ARG 16 HE ARG 16 -6.397 -2.077 13.687 147 1HH1 ARG 16 1HH1 ARG 16 -4.755 -4.884 12.424 148 2HH1 ARG 16 2HH1 ARG 16 -4.872 -5.774 13.905 149 1HH2 ARG 16 1HH2 ARG 16 -6.552 -3.244 15.637 150 2HH2 ARG 16 2HH2 ARG 16 -5.892 -4.842 15.730 151 H ARG 17 H ARG 17 -6.161 3.178 12.307 152 HA ARG 17 HA ARG 17 -7.633 2.676 14.597 153 1HB ARG 17 2HB ARG 17 -6.030 4.589 14.167 154 2HB ARG 17 1HB ARG 17 -7.346 5.399 13.329 155 1HG ARG 17 2HG ARG 17 -8.682 5.309 15.400 156 2HG ARG 17 1HG ARG 17 -7.304 4.579 16.226 157 1HD ARG 17 2HD ARG 17 -7.265 6.902 16.724 158 2HD ARG 17 1HD ARG 17 -5.967 6.599 15.572 159 HE ARG 17 HE ARG 17 -7.045 7.930 14.054 160 1HH1 ARG 17 1HH1 ARG 17 -9.264 7.117 16.621 161 2HH1 ARG 17 2HH1 ARG 17 -10.487 8.219 16.084 162 1HH2 ARG 17 1HH2 ARG 17 -8.652 9.381 13.345 163 2HH2 ARG 17 2HH2 ARG 17 -10.140 9.503 14.222 164 H CYS 18 H CYS 18 -8.721 3.662 11.439 165 HA CYS 18 HA CYS 18 -11.226 4.718 12.074 166 1HB CYS 18 2HB CYS 18 -9.872 4.345 9.767 167 2HB CYS 18 1HB CYS 18 -11.061 3.054 9.630 168 HG CYS 18 HG CYS 18 -11.680 5.686 8.775 169 H GLN 19 H GLN 19 -13.290 3.477 11.152 170 HA GLN 19 HA GLN 19 -13.484 1.048 12.776 171 1HB GLN 19 2HB GLN 19 -15.933 1.387 12.590 172 2HB GLN 19 1HB GLN 19 -15.104 2.759 13.314 173 1HG GLN 19 2HG GLN 19 -15.341 4.062 11.374 174 2HG GLN 19 1HG GLN 19 -15.789 2.667 10.396 175 1HE2 GLN 19 1HE2 GLN 19 -16.849 4.778 12.996 176 2HE2 GLN 19 2HE2 GLN 19 -18.542 4.527 12.761 177 H THR 20 H THR 20 -13.972 2.250 9.513 178 HA THR 20 HA THR 20 -13.917 -0.488 8.521 179 HB THR 20 HB THR 20 -16.317 0.066 8.820 180 HG1 THR 20 1HG THR 20 -16.908 -0.493 6.693 181 1HG2 THR 20 1HG2 THR 20 -15.550 2.509 7.467 182 2HG2 THR 20 2HG2 THR 20 -17.003 2.131 8.394 183 3HG2 THR 20 3HG2 THR 20 -16.910 1.702 6.685 184 H ILE 21 H ILE 21 -13.488 -0.615 6.217 185 HA ILE 21 HA ILE 21 -11.605 1.369 5.384 186 HB ILE 21 HB ILE 21 -12.698 -1.083 4.005 187 1HG1 ILE 21 2HG1 ILE 21 -10.371 -1.903 4.362 188 2HG1 ILE 21 1HG1 ILE 21 -10.019 -0.422 5.247 189 1HG2 ILE 21 1HG2 ILE 21 -12.166 0.374 2.220 190 2HG2 ILE 21 2HG2 ILE 21 -10.789 -0.715 2.387 191 3HG2 ILE 21 3HG2 ILE 21 -10.693 0.930 3.016 192 1HD1 ILE 21 1HD1 ILE 21 -11.394 -1.022 7.026 193 2HD1 ILE 21 2HD1 ILE 21 -10.582 -2.523 6.580 194 3HD1 ILE 21 3HD1 ILE 21 -12.249 -2.238 6.077 195 H ASP 22 H ASP 22 -14.957 0.681 4.704 196 HA ASP 22 HA ASP 22 -15.311 2.032 2.301 197 1HB ASP 22 2HB ASP 22 -16.968 0.682 3.919 198 2HB ASP 22 1HB ASP 22 -17.435 2.321 4.361 199 H THR 23 H THR 23 -15.570 3.298 5.618 200 HA THR 23 HA THR 23 -15.960 5.994 4.720 201 HB THR 23 HB THR 23 -15.806 4.573 7.315 202 HG1 THR 23 1HG THR 23 -17.370 6.744 6.380 203 1HG2 THR 23 1HG2 THR 23 -15.659 6.660 8.606 204 2HG2 THR 23 2HG2 THR 23 -15.176 7.507 7.136 205 3HG2 THR 23 3HG2 THR 23 -14.147 6.238 7.801 206 H LEU 24 H LEU 24 -13.269 3.999 5.712 207 HA LEU 24 HA LEU 24 -11.371 6.065 6.090 208 1HB LEU 24 2HB LEU 24 -11.403 3.315 6.385 209 2HB LEU 24 1HB LEU 24 -10.280 3.559 5.060 210 HG LEU 24 HG LEU 24 -10.068 4.896 7.749 211 1HD1 LEU 24 1HD1 LEU 24 -7.912 3.244 7.520 212 2HD1 LEU 24 2HD1 LEU 24 -9.190 2.278 6.782 213 3HD1 LEU 24 3HD1 LEU 24 -9.377 2.876 8.430 214 1HD2 LEU 24 1HD2 LEU 24 -8.420 6.132 6.910 215 2HD2 LEU 24 2HD2 LEU 24 -8.950 5.611 5.312 216 3HD2 LEU 24 3HD2 LEU 24 -7.667 4.734 6.144 217 H GLU 25 H GLU 25 -12.458 4.256 3.298 218 HA GLU 25 HA GLU 25 -10.462 4.948 1.475 219 1HB GLU 25 2HB GLU 25 -12.279 3.284 1.074 220 2HB GLU 25 1HB GLU 25 -13.409 4.616 0.878 221 1HG GLU 25 2HG GLU 25 -12.922 4.610 -1.278 222 2HG GLU 25 1HG GLU 25 -11.314 5.198 -0.857 223 H ARG 26 H ARG 26 -13.189 6.750 2.692 224 HA ARG 26 HA ARG 26 -13.163 8.836 0.780 225 1HB ARG 26 2HB ARG 26 -15.090 8.469 2.217 226 2HB ARG 26 1HB ARG 26 -14.124 8.794 3.648 227 1HG ARG 26 2HG ARG 26 -14.398 10.995 3.458 228 2HG ARG 26 1HG ARG 26 -14.042 10.975 1.730 229 1HD ARG 26 2HD ARG 26 -16.367 10.096 1.365 230 2HD ARG 26 1HD ARG 26 -16.678 10.406 3.072 231 HE ARG 26 HE ARG 26 -16.516 12.345 0.954 232 1HH1 ARG 26 1HH1 ARG 26 -16.243 11.832 4.395 233 2HH1 ARG 26 2HH1 ARG 26 -16.589 13.481 4.795 234 1HH2 ARG 26 1HH2 ARG 26 -16.973 14.514 1.478 235 2HH2 ARG 26 2HH2 ARG 26 -17.003 15.004 3.139 236 H VAL 27 H VAL 27 -11.469 8.301 3.830 237 HA VAL 27 HA VAL 27 -10.285 10.907 3.865 238 HB VAL 27 HB VAL 27 -10.657 9.527 5.930 239 1HG1 VAL 27 1HG1 VAL 27 -9.941 7.405 5.781 240 2HG1 VAL 27 2HG1 VAL 27 -8.392 8.087 6.271 241 3HG1 VAL 27 3HG1 VAL 27 -8.721 7.786 4.568 242 1HG2 VAL 27 1HG2 VAL 27 -9.357 11.286 6.482 243 2HG2 VAL 27 2HG2 VAL 27 -8.198 10.972 5.189 244 3HG2 VAL 27 3HG2 VAL 27 -8.129 10.037 6.683 245 H ILE 28 H ILE 28 -9.474 7.833 2.466 246 HA ILE 28 HA ILE 28 -6.715 8.153 2.128 247 HB ILE 28 HB ILE 28 -8.610 6.798 0.202 248 1HG1 ILE 28 2HG1 ILE 28 -8.949 5.833 2.373 249 2HG1 ILE 28 1HG1 ILE 28 -7.967 4.714 1.440 250 1HG2 ILE 28 1HG2 ILE 28 -6.842 6.048 -0.937 251 2HG2 ILE 28 2HG2 ILE 28 -5.931 5.695 0.532 252 3HG2 ILE 28 3HG2 ILE 28 -5.941 7.331 -0.127 253 1HD1 ILE 28 1HD1 ILE 28 -7.251 4.982 3.793 254 2HD1 ILE 28 2HD1 ILE 28 -6.862 6.666 3.441 255 3HD1 ILE 28 3HD1 ILE 28 -5.994 5.370 2.616 256 H GLU 29 H GLU 29 -9.446 9.217 0.163 257 HA GLU 29 HA GLU 29 -7.903 10.310 -1.951 258 1HB GLU 29 2HB GLU 29 -10.565 9.847 -1.551 259 2HB GLU 29 1HB GLU 29 -10.496 11.596 -1.391 260 1HG GLU 29 2HG GLU 29 -9.159 10.296 -3.712 261 2HG GLU 29 1HG GLU 29 -10.912 10.477 -3.711 262 H LYS 30 H LYS 30 -9.359 11.730 0.960 263 HA LYS 30 HA LYS 30 -8.619 14.391 0.477 264 1HB LYS 30 2HB LYS 30 -10.119 13.235 2.349 265 2HB LYS 30 1HB LYS 30 -8.631 13.374 3.276 266 1HG LYS 30 2HG LYS 30 -9.835 15.719 1.847 267 2HG LYS 30 1HG LYS 30 -10.321 15.260 3.480 268 1HD LYS 30 2HD LYS 30 -7.453 15.317 3.282 269 2HD LYS 30 1HD LYS 30 -8.130 16.847 2.718 270 1HE LYS 30 2HE LYS 30 -8.952 17.396 4.765 271 2HE LYS 30 1HE LYS 30 -9.251 15.718 5.215 272 1HZ LYS 30 1HZ LYS 30 -7.362 17.036 6.359 273 2HZ LYS 30 2HZ LYS 30 -6.484 16.684 4.956 274 3HZ LYS 30 3HZ LYS 30 -7.094 15.426 5.909 275 H ASN 31 H ASN 31 -6.936 11.814 2.249 276 HA ASN 31 HA ASN 31 -4.672 13.456 2.865 277 1HB ASN 31 2HB ASN 31 -5.586 11.250 4.019 278 2HB ASN 31 1HB ASN 31 -4.478 10.479 2.888 279 1HD2 ASN 31 1HD2 ASN 31 -4.798 12.036 5.851 280 2HD2 ASN 31 2HD2 ASN 31 -3.121 12.219 6.223 281 H LYS 32 H LYS 32 -5.548 11.259 0.298 282 HA LYS 32 HA LYS 32 -3.033 10.753 -0.803 283 1HB LYS 32 2HB LYS 32 -4.967 9.523 -1.541 284 2HB LYS 32 1HB LYS 32 -5.749 10.989 -2.107 285 1HG LYS 32 2HG LYS 32 -4.981 10.407 -4.111 286 2HG LYS 32 1HG LYS 32 -3.418 10.988 -3.539 287 1HD LYS 32 2HD LYS 32 -2.652 8.841 -3.071 288 2HD LYS 32 1HD LYS 32 -4.283 8.170 -3.010 289 1HE LYS 32 2HE LYS 32 -4.501 8.190 -5.342 290 2HE LYS 32 1HE LYS 32 -3.149 9.303 -5.546 291 1HZ LYS 32 1HZ LYS 32 -3.080 6.546 -5.689 292 2HZ LYS 32 2HZ LYS 32 -2.290 6.938 -4.247 293 3HZ LYS 32 3HZ LYS 32 -1.759 7.603 -5.708 294 H TYR 33 H TYR 33 -5.085 13.569 -0.983 295 HA TYR 33 HA TYR 33 -3.216 14.828 -2.870 296 1HB TYR 33 2HB TYR 33 -5.702 14.757 -3.395 297 2HB TYR 33 1HB TYR 33 -5.924 15.884 -2.060 298 HD1 TYR 33 1HD TYR 33 -6.192 18.073 -2.703 299 HD2 TYR 33 2HD TYR 33 -3.620 15.580 -4.999 300 HE1 TYR 33 1HE TYR 33 -5.719 19.959 -4.209 301 HE2 TYR 33 2HE TYR 33 -3.139 17.458 -6.511 302 HH TYR 33 HH TYR 33 -3.567 20.508 -5.850 303 H GLU 34 H GLU 34 -3.857 14.654 0.399 304 HA GLU 34 HA GLU 34 -3.489 17.386 1.125 305 1HB GLU 34 2HB GLU 34 -4.516 15.386 2.476 306 2HB GLU 34 1HB GLU 34 -2.853 15.129 2.985 307 1HG GLU 34 2HG GLU 34 -3.033 17.739 3.480 308 2HG GLU 34 1HG GLU 34 -4.734 17.307 3.656 309 H LEU 35 H LEU 35 -1.349 14.614 1.849 310 HA LEU 35 HA LEU 35 0.901 16.330 2.204 311 1HB LEU 35 2HB LEU 35 2.130 14.441 2.770 312 2HB LEU 35 1HB LEU 35 0.530 14.099 3.345 313 HG LEU 35 HG LEU 35 2.183 12.617 1.490 314 1HD1 LEU 35 1HD1 LEU 35 1.128 10.839 2.412 315 2HD1 LEU 35 2HD1 LEU 35 -0.429 11.659 2.505 316 3HD1 LEU 35 3HD1 LEU 35 0.840 12.038 3.669 317 1HD2 LEU 35 1HD2 LEU 35 -0.457 13.553 0.507 318 2HD2 LEU 35 2HD2 LEU 35 -0.025 11.865 0.251 319 3HD2 LEU 35 3HD2 LEU 35 1.009 13.144 -0.381 320 H SER 36 H SER 36 2.872 14.650 0.993 321 HA SER 36 HA SER 36 2.504 15.363 -1.839 322 1HB SER 36 2HB SER 36 5.282 15.166 -1.237 323 2HB SER 36 1HB SER 36 4.371 16.598 -1.714 324 HG SER 36 HG SER 36 3.909 16.959 0.480 325 H ASP 37 H ASP 37 4.428 14.116 -3.091 326 HA ASP 37 HA ASP 37 3.663 11.425 -3.140 327 1HB ASP 37 2HB ASP 37 5.740 13.079 -4.440 328 2HB ASP 37 1HB ASP 37 6.085 11.353 -4.365 329 H ASN 38 H ASN 38 6.038 13.088 -1.236 330 HA ASN 38 HA ASN 38 7.624 10.818 -0.601 331 1HB ASN 38 2HB ASN 38 8.674 12.239 1.064 332 2HB ASN 38 1HB ASN 38 8.464 13.129 -0.440 333 1HD2 ASN 38 1HD2 ASN 38 8.383 13.526 2.721 334 2HD2 ASN 38 2HD2 ASN 38 7.153 14.729 2.878 335 H GLU 39 H GLU 39 5.050 12.517 1.231 336 HA GLU 39 HA GLU 39 5.202 10.542 3.326 337 1HB GLU 39 2HB GLU 39 2.794 12.180 3.343 338 2HB GLU 39 1HB GLU 39 4.026 11.986 4.571 339 1HG GLU 39 2HG GLU 39 5.443 13.543 3.106 340 2HG GLU 39 1HG GLU 39 3.921 13.930 2.303 341 H LEU 40 H LEU 40 3.320 11.101 0.462 342 HA LEU 40 HA LEU 40 1.103 9.492 0.981 343 1HB LEU 40 2HB LEU 40 1.285 10.999 -0.929 344 2HB LEU 40 1HB LEU 40 2.502 9.966 -1.647 345 HG LEU 40 HG LEU 40 -0.030 8.608 -1.022 346 1HD1 LEU 40 1HD1 LEU 40 -0.849 9.665 -3.324 347 2HD1 LEU 40 2HD1 LEU 40 0.046 11.049 -2.694 348 3HD1 LEU 40 3HD1 LEU 40 -1.276 10.353 -1.757 349 1HD2 LEU 40 1HD2 LEU 40 2.124 7.958 -2.443 350 2HD2 LEU 40 2HD2 LEU 40 1.175 8.706 -3.727 351 3HD2 LEU 40 3HD2 LEU 40 0.516 7.341 -2.826 352 H ALA 41 H ALA 41 4.354 8.645 -0.061 353 HA ALA 41 HA ALA 41 3.901 6.019 -0.892 354 1HB ALA 41 1HB ALA 41 6.063 7.273 -1.085 355 2HB ALA 41 2HB ALA 41 6.234 5.621 -0.492 356 3HB ALA 41 3HB ALA 41 6.325 6.975 0.633 357 H VAL 42 H VAL 42 4.238 7.444 2.282 358 HA VAL 42 HA VAL 42 4.196 4.948 3.701 359 HB VAL 42 HB VAL 42 3.678 7.731 4.762 360 1HG1 VAL 42 1HG1 VAL 42 3.481 6.836 6.791 361 2HG1 VAL 42 2HG1 VAL 42 4.912 5.831 6.565 362 3HG1 VAL 42 3HG1 VAL 42 3.339 5.269 5.996 363 1HG2 VAL 42 1HG2 VAL 42 6.172 7.200 5.570 364 2HG2 VAL 42 2HG2 VAL 42 5.810 8.035 4.060 365 3HG2 VAL 42 3HG2 VAL 42 6.171 6.309 4.049 366 H PHE 43 H PHE 43 1.854 7.325 2.598 367 HA PHE 43 HA PHE 43 -0.289 6.325 4.219 368 1HB PHE 43 2HB PHE 43 -0.118 8.665 3.262 369 2HB PHE 43 1HB PHE 43 -0.546 7.968 1.702 370 HD1 PHE 43 1HD PHE 43 -2.757 6.877 1.415 371 HD2 PHE 43 2HD PHE 43 -1.752 9.082 4.910 372 HE1 PHE 43 1HE PHE 43 -5.140 7.046 1.986 373 HE2 PHE 43 2HE PHE 43 -4.137 9.258 5.491 374 HZ PHE 43 HZ PHE 43 -5.835 8.240 4.028 375 H TYR 44 H TYR 44 0.587 6.008 0.787 376 HA TYR 44 HA TYR 44 -1.561 4.420 -0.010 377 1HB TYR 44 2HB TYR 44 0.463 5.533 -1.338 378 2HB TYR 44 1HB TYR 44 1.119 3.903 -1.210 379 HD1 TYR 44 1HD TYR 44 -1.887 5.783 -2.344 380 HD2 TYR 44 2HD TYR 44 0.448 2.245 -2.717 381 HE1 TYR 44 1HE TYR 44 -3.250 5.094 -4.272 382 HE2 TYR 44 2HE TYR 44 -0.908 1.547 -4.647 383 HH TYR 44 HH TYR 44 -2.399 2.962 -6.457 384 H SER 45 H SER 45 1.640 3.457 1.195 385 HA SER 45 HA SER 45 1.285 0.688 0.986 386 1HB SER 45 2HB SER 45 3.132 0.505 2.595 387 2HB SER 45 1HB SER 45 3.476 1.741 1.384 388 HG SER 45 HG SER 45 2.466 2.210 3.997 389 H ALA 46 H ALA 46 0.347 2.968 3.487 390 HA ALA 46 HA ALA 46 -0.346 1.058 5.457 391 1HB ALA 46 1HB ALA 46 -1.769 3.014 6.337 392 2HB ALA 46 2HB ALA 46 -1.031 3.942 5.032 393 3HB ALA 46 3HB ALA 46 -0.018 3.210 6.276 394 H ALA 47 H ALA 47 -2.196 2.689 2.928 395 HA ALA 47 HA ALA 47 -4.674 1.436 3.683 396 1HB ALA 47 1HB ALA 47 -4.904 3.567 2.718 397 2HB ALA 47 2HB ALA 47 -5.455 2.438 1.480 398 3HB ALA 47 3HB ALA 47 -3.851 3.159 1.364 399 H ASP 48 H ASP 48 -2.136 0.874 1.326 400 HA ASP 48 HA ASP 48 -3.483 -0.992 -0.289 401 1HB ASP 48 2HB ASP 48 -0.663 -0.212 0.180 402 2HB ASP 48 1HB ASP 48 -0.918 -1.813 -0.508 403 H HIS 49 H HIS 49 -1.291 -1.494 2.474 404 HA HIS 49 HA HIS 49 -1.443 -4.291 2.517 405 1HB HIS 49 2HB HIS 49 -0.614 -2.174 4.422 406 2HB HIS 49 1HB HIS 49 -1.006 -3.742 5.121 407 HD1 HIS 49 1HD HIS 49 1.723 -3.375 5.640 408 HD2 HIS 49 2HD HIS 49 0.557 -4.451 1.799 409 HE1 HIS 49 1HE HIS 49 3.782 -4.327 4.554 410 HE2 HIS 49 2HE HIS 49 3.074 -4.891 2.203 411 H ARG 50 H ARG 50 -3.379 -1.842 4.202 412 HA ARG 50 HA ARG 50 -4.954 -3.590 5.720 413 1HB ARG 50 2HB ARG 50 -4.822 -1.113 6.022 414 2HB ARG 50 1HB ARG 50 -5.798 -0.924 4.572 415 1HG ARG 50 2HG ARG 50 -7.315 -0.715 6.325 416 2HG ARG 50 1HG ARG 50 -7.530 -2.373 5.761 417 1HD ARG 50 2HD ARG 50 -5.979 -3.113 7.566 418 2HD ARG 50 1HD ARG 50 -5.966 -1.457 8.170 419 HE ARG 50 HE ARG 50 -8.051 -1.799 9.062 420 1HH1 ARG 50 1HH1 ARG 50 -7.332 -4.380 6.826 421 2HH1 ARG 50 2HH1 ARG 50 -8.714 -5.322 7.275 422 1HH2 ARG 50 1HH2 ARG 50 -9.868 -3.037 9.655 423 2HH2 ARG 50 2HH2 ARG 50 -10.155 -4.559 8.880 424 H LEU 51 H LEU 51 -5.354 -2.345 2.442 425 HA LEU 51 HA LEU 51 -7.905 -3.567 2.033 426 1HB LEU 51 2HB LEU 51 -6.399 -1.651 0.731 427 2HB LEU 51 1HB LEU 51 -6.350 -3.009 -0.376 428 HG LEU 51 HG LEU 51 -9.045 -2.716 0.466 429 1HD1 LEU 51 1HD1 LEU 51 -8.086 -0.353 0.997 430 2HD1 LEU 51 2HD1 LEU 51 -9.617 -0.512 0.134 431 3HD1 LEU 51 3HD1 LEU 51 -8.137 -0.148 -0.754 432 1HD2 LEU 51 1HD2 LEU 51 -7.503 -2.391 -2.073 433 2HD2 LEU 51 2HD2 LEU 51 -9.218 -1.984 -2.018 434 3HD2 LEU 51 3HD2 LEU 51 -8.686 -3.620 -1.629 435 H ALA 52 H ALA 52 -4.567 -4.413 1.269 436 HA ALA 52 HA ALA 52 -5.044 -6.637 -0.358 437 1HB ALA 52 1HB ALA 52 -2.819 -5.348 0.571 438 2HB ALA 52 2HB ALA 52 -2.816 -6.846 -0.360 439 3HB ALA 52 3HB ALA 52 -2.722 -6.901 1.400 440 H GLU 53 H GLU 53 -4.486 -6.490 3.157 441 HA GLU 53 HA GLU 53 -4.836 -9.253 3.597 442 1HB GLU 53 2HB GLU 53 -5.176 -8.577 5.994 443 2HB GLU 53 1HB GLU 53 -3.682 -8.015 5.262 444 1HG GLU 53 2HG GLU 53 -5.357 -5.927 4.766 445 2HG GLU 53 1HG GLU 53 -5.951 -6.507 6.321 446 H LEU 54 H LEU 54 -7.092 -6.640 3.258 447 HA LEU 54 HA LEU 54 -9.303 -7.869 4.531 448 1HB LEU 54 2HB LEU 54 -8.834 -5.402 3.537 449 2HB LEU 54 1HB LEU 54 -9.821 -6.064 2.247 450 HG LEU 54 HG LEU 54 -11.535 -6.651 4.020 451 1HD1 LEU 54 1HD1 LEU 54 -11.426 -5.463 6.125 452 2HD1 LEU 54 2HD1 LEU 54 -9.873 -4.760 5.677 453 3HD1 LEU 54 3HD1 LEU 54 -10.011 -6.498 5.944 454 1HD2 LEU 54 1HD2 LEU 54 -10.962 -3.708 3.784 455 2HD2 LEU 54 2HD2 LEU 54 -12.528 -4.502 3.952 456 3HD2 LEU 54 3HD2 LEU 54 -11.607 -4.674 2.458 457 H THR 55 H THR 55 -7.893 -8.167 1.361 458 HA THR 55 HA THR 55 -10.173 -9.528 0.232 459 HB THR 55 HB THR 55 -7.369 -9.209 -0.847 460 HG1 THR 55 1HG THR 55 -8.679 -7.259 -0.471 461 1HG2 THR 55 1HG2 THR 55 -8.950 -11.018 -1.833 462 2HG2 THR 55 2HG2 THR 55 -8.075 -9.925 -2.906 463 3HG2 THR 55 3HG2 THR 55 -9.776 -9.632 -2.546 464 H MET 56 H MET 56 -6.939 -10.444 1.381 465 HA MET 56 HA MET 56 -7.613 -13.263 0.957 466 1HB MET 56 2HB MET 56 -5.289 -11.873 0.513 467 2HB MET 56 1HB MET 56 -4.965 -12.662 2.049 468 1HG MET 56 2HG MET 56 -4.695 -14.641 1.090 469 2HG MET 56 1HG MET 56 -6.176 -14.474 0.149 470 1HE MET 56 1HE MET 56 -6.105 -14.948 -1.976 471 2HE MET 56 2HE MET 56 -4.949 -14.483 -3.225 472 3HE MET 56 3HE MET 56 -6.065 -13.286 -2.564 473 H ASN 57 H ASN 57 -8.213 -11.172 3.322 474 HA ASN 57 HA ASN 57 -8.826 -11.434 5.496 475 1HB ASN 57 2HB ASN 57 -9.138 -13.948 4.497 476 2HB ASN 57 1HB ASN 57 -7.970 -14.239 5.783 477 1HD2 ASN 57 1HD2 ASN 57 -10.076 -15.501 6.317 478 2HD2 ASN 57 2HD2 ASN 57 -11.139 -14.698 7.417 479 H LYS 58 H LYS 58 -7.426 -10.217 6.586 480 HA LYS 58 HA LYS 58 -5.525 -9.524 7.650 481 1HB LYS 58 2HB LYS 58 -6.120 -12.253 8.719 482 2HB LYS 58 1HB LYS 58 -4.733 -11.358 9.321 483 1HG LYS 58 2HG LYS 58 -7.381 -10.004 9.254 484 2HG LYS 58 1HG LYS 58 -7.067 -11.207 10.507 485 1HD LYS 58 2HD LYS 58 -6.476 -9.065 11.387 486 2HD LYS 58 1HD LYS 58 -4.981 -9.950 11.077 487 1HE LYS 58 2HE LYS 58 -4.507 -8.684 9.150 488 2HE LYS 58 1HE LYS 58 -6.148 -8.043 9.069 489 1HZ LYS 58 1HZ LYS 58 -5.586 -6.993 11.317 490 2HZ LYS 58 2HZ LYS 58 -4.905 -6.302 9.931 491 3HZ LYS 58 3HZ LYS 58 -3.971 -7.304 10.921 492 H LEU 59 H LEU 59 -4.848 -10.388 5.071 493 HA LEU 59 HA LEU 59 -2.262 -11.706 5.536 494 1HB LEU 59 2HB LEU 59 -4.014 -12.763 3.971 495 2HB LEU 59 1HB LEU 59 -3.599 -11.476 2.856 496 HG LEU 59 HG LEU 59 -2.455 -13.780 2.594 497 1HD1 LEU 59 1HD1 LEU 59 -1.414 -12.454 1.145 498 2HD1 LEU 59 2HD1 LEU 59 -0.178 -12.234 2.383 499 3HD1 LEU 59 3HD1 LEU 59 -1.494 -11.071 2.235 500 1HD2 LEU 59 1HD2 LEU 59 -1.823 -13.918 5.010 501 2HD2 LEU 59 2HD2 LEU 59 -0.666 -12.618 4.722 502 3HD2 LEU 59 3HD2 LEU 59 -0.484 -14.162 3.886 503 H TYR 60 H TYR 60 -0.535 -10.461 5.398 504 HA TYR 60 HA TYR 60 -0.608 -8.107 3.640 505 1HB TYR 60 2HB TYR 60 0.868 -6.961 5.352 506 2HB TYR 60 1HB TYR 60 -0.826 -7.159 5.775 507 HD1 TYR 60 1HD TYR 60 1.118 -10.174 5.972 508 HD2 TYR 60 2HD TYR 60 -0.012 -6.684 8.118 509 HE1 TYR 60 1HE TYR 60 1.785 -11.262 8.076 510 HE2 TYR 60 2HE TYR 60 0.647 -7.760 10.230 511 HH TYR 60 HH TYR 60 2.049 -9.537 11.032 512 H ASP 61 H ASP 61 1.483 -7.334 2.899 513 HA ASP 61 HA ASP 61 3.552 -7.586 1.992 514 1HB ASP 61 2HB ASP 61 3.938 -9.669 4.149 515 2HB ASP 61 1HB ASP 61 5.215 -8.923 3.193 516 H LYS 62 H LYS 62 2.636 -10.900 2.972 517 HA LYS 62 HA LYS 62 3.797 -12.246 0.862 518 1HB LYS 62 2HB LYS 62 1.658 -12.833 2.809 519 2HB LYS 62 1HB LYS 62 1.670 -13.840 1.367 520 1HG LYS 62 2HG LYS 62 3.934 -14.530 1.811 521 2HG LYS 62 1HG LYS 62 4.036 -13.425 3.183 522 1HD LYS 62 2HD LYS 62 1.898 -14.782 3.960 523 2HD LYS 62 1HD LYS 62 2.614 -16.023 2.931 524 1HE LYS 62 2HE LYS 62 4.380 -16.344 4.315 525 2HE LYS 62 1HE LYS 62 4.441 -14.651 4.804 526 1HZ LYS 62 1HZ LYS 62 3.675 -16.476 6.471 527 2HZ LYS 62 2HZ LYS 62 2.185 -16.310 5.689 528 3HZ LYS 62 3HZ LYS 62 2.897 -14.974 6.444 529 H ILE 63 H ILE 63 1.174 -10.115 0.647 530 HA ILE 63 HA ILE 63 -0.402 -11.298 -1.337 531 HB ILE 63 HB ILE 63 0.146 -8.348 -0.981 532 1HG1 ILE 63 2HG1 ILE 63 -2.222 -8.670 0.201 533 2HG1 ILE 63 1HG1 ILE 63 -1.576 -10.283 0.494 534 1HG2 ILE 63 1HG2 ILE 63 -2.429 -8.574 -1.823 535 2HG2 ILE 63 2HG2 ILE 63 -1.654 -9.892 -2.703 536 3HG2 ILE 63 3HG2 ILE 63 -1.052 -8.245 -2.876 537 1HD1 ILE 63 1HD1 ILE 63 -0.423 -9.511 2.220 538 2HD1 ILE 63 2HD1 ILE 63 -1.095 -7.905 1.930 539 3HD1 ILE 63 3HD1 ILE 63 0.421 -8.376 1.166 540 HA PRO 64 HA PRO 64 2.661 -11.044 -4.627 541 1HB PRO 64 2HB PRO 64 1.350 -12.553 -6.422 542 2HB PRO 64 1HB PRO 64 2.136 -13.264 -5.007 543 1HG PRO 64 2HG PRO 64 -0.753 -12.630 -5.453 544 2HG PRO 64 1HG PRO 64 -0.024 -14.065 -4.709 545 1HD PRO 64 2HD PRO 64 -1.089 -11.975 -3.286 546 2HD PRO 64 1HD PRO 64 0.187 -13.049 -2.668 547 H SER 65 H SER 65 2.097 -10.919 -7.243 548 HA SER 65 HA SER 65 0.957 -8.281 -7.515 549 1HB SER 65 2HB SER 65 2.186 -10.136 -9.568 550 2HB SER 65 1HB SER 65 1.706 -8.466 -9.873 551 HG SER 65 HG SER 65 3.911 -8.573 -9.385 552 H SER 66 H SER 66 0.184 -11.565 -8.556 553 HA SER 66 HA SER 66 -1.947 -10.971 -10.266 554 1HB SER 66 2HB SER 66 -2.650 -13.291 -9.926 555 2HB SER 66 1HB SER 66 -0.898 -13.202 -10.106 556 HG SER 66 HG SER 66 -0.650 -13.562 -7.960 557 H VAL 67 H VAL 67 -1.931 -11.641 -6.778 558 HA VAL 67 HA VAL 67 -4.737 -11.409 -6.448 559 HB VAL 67 HB VAL 67 -2.607 -10.968 -4.350 560 1HG1 VAL 67 1HG1 VAL 67 -5.027 -10.281 -3.899 561 2HG1 VAL 67 2HG1 VAL 67 -4.264 -11.367 -2.738 562 3HG1 VAL 67 3HG1 VAL 67 -5.395 -12.005 -3.931 563 1HG2 VAL 67 1HG2 VAL 67 -4.026 -13.565 -4.722 564 2HG2 VAL 67 2HG2 VAL 67 -2.452 -13.236 -3.999 565 3HG2 VAL 67 3HG2 VAL 67 -2.645 -13.183 -5.751 566 H TRP 68 H TRP 68 -2.056 -9.129 -6.021 567 HA TRP 68 HA TRP 68 -3.582 -6.988 -5.022 568 1HB TRP 68 2HB TRP 68 -0.869 -7.439 -5.842 569 2HB TRP 68 1HB TRP 68 -1.431 -5.923 -6.535 570 HD1 TRP 68 HD TRP 68 0.656 -6.537 -3.953 571 HE1 TRP 68 1HE TRP 68 0.261 -5.118 -1.847 572 HE3 TRP 68 3HE TRP 68 -4.146 -5.043 -4.867 573 HZ2 TRP 68 2HZ TRP 68 -1.811 -3.569 -0.716 574 HZ3 TRP 68 3HZ TRP 68 -5.264 -3.593 -3.222 575 HH2 TRP 68 HH TRP 68 -4.119 -2.872 -1.190 576 H LYS 69 H LYS 69 -2.921 -8.101 -8.275 577 HA LYS 69 HA LYS 69 -3.765 -5.840 -9.699 578 1HB LYS 69 2HB LYS 69 -2.705 -8.219 -10.405 579 2HB LYS 69 1HB LYS 69 -4.381 -8.496 -10.858 580 1HG LYS 69 2HG LYS 69 -3.340 -5.921 -11.755 581 2HG LYS 69 1HG LYS 69 -2.481 -7.311 -12.422 582 1HD LYS 69 2HD LYS 69 -4.389 -8.146 -13.462 583 2HD LYS 69 1HD LYS 69 -5.476 -7.225 -12.421 584 1HE LYS 69 2HE LYS 69 -4.135 -5.211 -13.597 585 2HE LYS 69 1HE LYS 69 -4.059 -6.417 -14.882 586 1HZ LYS 69 1HZ LYS 69 -6.015 -4.952 -15.032 587 2HZ LYS 69 2HZ LYS 69 -6.562 -5.543 -13.544 588 3HZ LYS 69 3HZ LYS 69 -6.437 -6.583 -14.872 589 H PHE 70 H PHE 70 -5.562 -8.650 -8.509 590 HA PHE 70 HA PHE 70 -8.054 -7.863 -9.633 591 1HB PHE 70 2HB PHE 70 -7.436 -10.200 -8.918 592 2HB PHE 70 1HB PHE 70 -7.623 -9.671 -7.249 593 HD1 PHE 70 1HD PHE 70 -9.313 -10.695 -10.276 594 HD2 PHE 70 2HD PHE 70 -9.848 -8.985 -6.415 595 HE1 PHE 70 1HE PHE 70 -11.720 -11.187 -10.396 596 HE2 PHE 70 2HE PHE 70 -12.257 -9.474 -6.529 597 HZ PHE 70 HZ PHE 70 -13.195 -10.576 -8.521 598 H ILE 71 H ILE 71 -6.522 -7.403 -6.486 599 HA ILE 71 HA ILE 71 -8.790 -6.184 -5.259 600 HB ILE 71 HB ILE 71 -5.896 -5.902 -4.446 601 1HG1 ILE 71 2HG1 ILE 71 -7.815 -7.903 -3.290 602 2HG1 ILE 71 1HG1 ILE 71 -6.883 -8.291 -4.732 603 1HG2 ILE 71 1HG2 ILE 71 -8.041 -5.952 -2.436 604 2HG2 ILE 71 2HG2 ILE 71 -8.025 -4.539 -3.492 605 3HG2 ILE 71 3HG2 ILE 71 -6.598 -4.943 -2.536 606 1HD1 ILE 71 1HD1 ILE 71 -4.888 -8.313 -3.596 607 2HD1 ILE 71 2HD1 ILE 71 -5.998 -8.948 -2.382 608 3HD1 ILE 71 3HD1 ILE 71 -5.484 -7.263 -2.311 609 H ARG 72 H ARG 72 -9.603 -4.342 -6.033 610 HA ARG 72 HA ARG 72 -7.770 -2.083 -6.419 611 1HB ARG 72 2HB ARG 72 -9.167 -3.401 -8.493 612 2HB ARG 72 1HB ARG 72 -9.981 -1.864 -8.241 613 1HG ARG 72 2HG ARG 72 -7.369 -1.105 -8.225 614 2HG ARG 72 1HG ARG 72 -7.350 -2.439 -9.379 615 1HD ARG 72 2HD ARG 72 -7.755 -0.373 -10.553 616 2HD ARG 72 1HD ARG 72 -9.211 -1.367 -10.596 617 HE ARG 72 HE ARG 72 -9.461 0.303 -8.404 618 1HH1 ARG 72 1HH1 ARG 72 -9.166 0.644 -11.865 619 2HH1 ARG 72 2HH1 ARG 72 -10.071 2.120 -11.922 620 1HH2 ARG 72 1HH2 ARG 72 -10.652 2.244 -8.478 621 2HH2 ARG 72 2HH2 ARG 72 -10.915 3.028 -10.000 Start of MODEL 9 1 1H MET 1 1HT MET 1 13.059 1.661 11.121 2 2H MET 1 2HT MET 1 11.393 1.390 11.432 3 3H MET 1 3HT MET 1 12.414 1.993 12.674 4 HA MET 1 HA MET 1 10.896 3.594 11.491 5 1HB MET 1 2HB MET 1 12.686 5.329 11.602 6 2HB MET 1 1HB MET 1 12.625 4.291 13.020 7 1HG MET 1 2HG MET 1 14.879 4.413 12.618 8 2HG MET 1 1HG MET 1 14.445 2.923 11.782 9 1HE MET 1 1HE MET 1 17.236 4.358 9.477 10 2HE MET 1 2HE MET 1 16.541 2.849 10.068 11 3HE MET 1 3HE MET 1 17.104 4.068 11.212 12 H SER 2 H SER 2 11.721 5.493 9.859 13 HA SER 2 HA SER 2 12.951 4.552 7.458 14 1HB SER 2 2HB SER 2 9.975 4.583 7.679 15 2HB SER 2 1HB SER 2 10.699 5.121 6.164 16 HG SER 2 HG SER 2 11.506 3.143 5.824 17 H GLU 3 H GLU 3 10.285 6.844 8.008 18 HA GLU 3 HA GLU 3 11.989 8.975 6.943 19 1HB GLU 3 2HB GLU 3 9.628 8.451 6.055 20 2HB GLU 3 1HB GLU 3 9.049 9.214 7.529 21 1HG GLU 3 2HG GLU 3 9.346 11.236 6.688 22 2HG GLU 3 1HG GLU 3 11.011 10.871 6.239 23 H LYS 4 H LYS 4 11.972 11.080 7.965 24 HA LYS 4 HA LYS 4 12.474 10.934 10.740 25 1HB LYS 4 2HB LYS 4 12.394 13.095 8.696 26 2HB LYS 4 1HB LYS 4 12.301 13.576 10.385 27 1HG LYS 4 2HG LYS 4 14.381 12.099 10.702 28 2HG LYS 4 1HG LYS 4 14.524 12.183 8.946 29 1HD LYS 4 2HD LYS 4 15.160 14.350 8.974 30 2HD LYS 4 1HD LYS 4 14.074 14.756 10.305 31 1HE LYS 4 2HE LYS 4 15.976 14.922 11.493 32 2HE LYS 4 1HE LYS 4 15.860 13.165 11.573 33 1HZ LYS 4 1HZ LYS 4 17.932 13.296 10.746 34 2HZ LYS 4 2HZ LYS 4 17.707 14.834 10.078 35 3HZ LYS 4 3HZ LYS 4 17.137 13.466 9.263 36 HA PRO 5 HA PRO 5 8.420 13.582 11.309 37 1HB PRO 5 2HB PRO 5 6.660 13.369 9.183 38 2HB PRO 5 1HB PRO 5 7.727 14.744 9.483 39 1HG PRO 5 2HG PRO 5 8.090 12.428 7.632 40 2HG PRO 5 1HG PRO 5 8.493 14.137 7.385 41 1HD PRO 5 2HD PRO 5 10.378 12.324 7.972 42 2HD PRO 5 1HD PRO 5 10.456 13.979 8.611 43 H LEU 6 H LEU 6 7.066 11.336 8.935 44 HA LEU 6 HA LEU 6 6.154 9.637 11.162 45 1HB LEU 6 2HB LEU 6 4.610 10.481 8.712 46 2HB LEU 6 1HB LEU 6 4.080 9.234 9.824 47 HG LEU 6 HG LEU 6 2.887 11.194 10.400 48 1HD1 LEU 6 1HD1 LEU 6 4.900 11.580 12.485 49 2HD1 LEU 6 2HD1 LEU 6 4.467 9.893 12.206 50 3HD1 LEU 6 3HD1 LEU 6 3.216 11.069 12.608 51 1HD2 LEU 6 1HD2 LEU 6 5.282 12.854 10.922 52 2HD2 LEU 6 2HD2 LEU 6 3.673 13.322 10.370 53 3HD2 LEU 6 3HD2 LEU 6 4.821 12.610 9.237 54 H THR 7 H THR 7 6.310 7.468 10.900 55 HA THR 7 HA THR 7 7.755 6.540 8.541 56 HB THR 7 HB THR 7 7.790 4.365 9.995 57 HG1 THR 7 1HG THR 7 6.223 5.337 11.494 58 1HG2 THR 7 1HG2 THR 7 9.389 6.160 11.545 59 2HG2 THR 7 2HG2 THR 7 9.516 6.554 9.830 60 3HG2 THR 7 3HG2 THR 7 9.887 4.924 10.390 61 H LYS 8 H LYS 8 7.147 4.110 8.011 62 HA LYS 8 HA LYS 8 4.627 4.178 6.765 63 1HB LYS 8 2HB LYS 8 5.065 1.714 6.366 64 2HB LYS 8 1HB LYS 8 6.293 2.823 5.770 65 1HG LYS 8 2HG LYS 8 6.867 1.988 8.472 66 2HG LYS 8 1HG LYS 8 6.678 0.603 7.395 67 1HD LYS 8 2HD LYS 8 8.487 2.968 6.901 68 2HD LYS 8 1HD LYS 8 9.007 1.393 7.501 69 1HE LYS 8 2HE LYS 8 8.901 0.445 5.465 70 2HE LYS 8 1HE LYS 8 7.418 1.298 5.037 71 1HZ LYS 8 1HZ LYS 8 8.911 2.241 3.606 72 2HZ LYS 8 2HZ LYS 8 10.210 2.134 4.685 73 3HZ LYS 8 3HZ LYS 8 9.027 3.323 4.903 74 H THR 9 H THR 9 5.672 2.977 9.865 75 HA THR 9 HA THR 9 3.275 1.464 10.357 76 HB THR 9 HB THR 9 4.428 1.843 12.822 77 HG1 THR 9 1HG THR 9 6.577 1.649 11.000 78 1HG2 THR 9 1HG2 THR 9 3.907 -0.298 11.400 79 2HG2 THR 9 2HG2 THR 9 5.062 -0.340 12.732 80 3HG2 THR 9 3HG2 THR 9 5.638 -0.222 11.070 81 H ASP 10 H ASP 10 4.394 4.711 10.956 82 HA ASP 10 HA ASP 10 2.598 5.439 12.986 83 1HB ASP 10 2HB ASP 10 4.638 6.695 11.668 84 2HB ASP 10 1HB ASP 10 3.235 7.551 11.036 85 H TYR 11 H TYR 11 2.341 5.826 9.453 86 HA TYR 11 HA TYR 11 -0.346 6.821 9.612 87 1HB TYR 11 2HB TYR 11 1.573 6.173 7.431 88 2HB TYR 11 1HB TYR 11 -0.139 6.193 7.023 89 HD1 TYR 11 1HD TYR 11 2.632 8.244 8.367 90 HD2 TYR 11 2HD TYR 11 -1.312 8.236 6.776 91 HE1 TYR 11 1HE TYR 11 2.715 10.693 8.166 92 HE2 TYR 11 2HE TYR 11 -1.240 10.684 6.568 93 HH TYR 11 HH TYR 11 0.363 12.474 6.420 94 H LEU 12 H LEU 12 1.164 3.755 8.685 95 HA LEU 12 HA LEU 12 -1.098 2.371 7.861 96 1HB LEU 12 2HB LEU 12 1.153 1.505 7.564 97 2HB LEU 12 1HB LEU 12 1.345 1.339 9.298 98 HG LEU 12 HG LEU 12 -0.506 -0.344 9.282 99 1HD1 LEU 12 1HD1 LEU 12 -0.149 -0.628 6.343 100 2HD1 LEU 12 2HD1 LEU 12 -1.260 0.603 6.945 101 3HD1 LEU 12 3HD1 LEU 12 -1.508 -1.090 7.369 102 1HD2 LEU 12 1HD2 LEU 12 2.126 -0.688 8.853 103 2HD2 LEU 12 2HD2 LEU 12 1.479 -1.426 7.387 104 3HD2 LEU 12 3HD2 LEU 12 0.975 -2.019 8.970 105 H MET 13 H MET 13 0.127 2.953 11.109 106 HA MET 13 HA MET 13 -1.647 1.173 12.431 107 1HB MET 13 2HB MET 13 0.171 3.384 13.264 108 2HB MET 13 1HB MET 13 -1.057 2.847 14.402 109 1HG MET 13 2HG MET 13 0.593 0.759 13.113 110 2HG MET 13 1HG MET 13 1.378 1.794 14.304 111 1HE MET 13 1HE MET 13 -2.417 0.212 14.252 112 2HE MET 13 2HE MET 13 -1.908 -1.305 14.993 113 3HE MET 13 3HE MET 13 -1.203 -0.793 13.460 114 H ARG 14 H ARG 14 -1.730 4.672 11.831 115 HA ARG 14 HA ARG 14 -4.177 5.121 13.187 116 1HB ARG 14 2HB ARG 14 -2.412 6.661 11.374 117 2HB ARG 14 1HB ARG 14 -4.092 7.175 11.438 118 1HG ARG 14 2HG ARG 14 -2.394 6.812 13.891 119 2HG ARG 14 1HG ARG 14 -2.524 8.340 13.017 120 1HD ARG 14 2HD ARG 14 -5.038 6.965 13.798 121 2HD ARG 14 1HD ARG 14 -4.100 7.746 15.069 122 HE ARG 14 HE ARG 14 -4.267 9.662 13.171 123 1HH1 ARG 14 1HH1 ARG 14 -6.655 7.660 14.743 124 2HH1 ARG 14 2HH1 ARG 14 -7.914 8.842 14.612 125 1HH2 ARG 14 1HH2 ARG 14 -5.920 11.218 12.999 126 2HH2 ARG 14 2HH2 ARG 14 -7.497 10.863 13.623 127 H LEU 15 H LEU 15 -3.370 4.133 9.938 128 HA LEU 15 HA LEU 15 -5.794 4.696 8.656 129 1HB LEU 15 2HB LEU 15 -3.449 3.737 7.822 130 2HB LEU 15 1HB LEU 15 -4.318 2.218 7.933 131 HG LEU 15 HG LEU 15 -5.593 4.466 6.446 132 1HD1 LEU 15 1HD1 LEU 15 -3.075 4.084 5.808 133 2HD1 LEU 15 2HD1 LEU 15 -4.308 4.277 4.562 134 3HD1 LEU 15 3HD1 LEU 15 -3.726 2.667 4.984 135 1HD2 LEU 15 1HD2 LEU 15 -6.941 2.560 6.628 136 2HD2 LEU 15 2HD2 LEU 15 -5.589 1.466 6.330 137 3HD2 LEU 15 3HD2 LEU 15 -6.235 2.449 5.015 138 H ARG 16 H ARG 16 -4.723 1.794 10.388 139 HA ARG 16 HA ARG 16 -7.166 0.375 9.969 140 1HB ARG 16 2HB ARG 16 -4.724 -0.456 10.595 141 2HB ARG 16 1HB ARG 16 -5.350 -0.311 12.232 142 1HG ARG 16 2HG ARG 16 -7.326 -1.722 11.360 143 2HG ARG 16 1HG ARG 16 -6.240 -2.124 10.028 144 1HD ARG 16 2HD ARG 16 -5.366 -3.711 11.316 145 2HD ARG 16 1HD ARG 16 -4.710 -2.437 12.344 146 HE ARG 16 HE ARG 16 -7.234 -2.726 13.264 147 1HH1 ARG 16 1HH1 ARG 16 -4.642 -4.988 12.674 148 2HH1 ARG 16 2HH1 ARG 16 -5.137 -6.074 13.929 149 1HH2 ARG 16 1HH2 ARG 16 -7.886 -4.153 14.916 150 2HH2 ARG 16 2HH2 ARG 16 -6.977 -5.600 15.201 151 H ARG 17 H ARG 17 -6.271 2.875 12.076 152 HA ARG 17 HA ARG 17 -7.580 2.302 14.441 153 1HB ARG 17 2HB ARG 17 -6.211 4.426 13.539 154 2HB ARG 17 1HB ARG 17 -7.841 5.071 13.407 155 1HG ARG 17 2HG ARG 17 -7.860 5.514 15.572 156 2HG ARG 17 1HG ARG 17 -7.592 3.809 15.940 157 1HD ARG 17 2HD ARG 17 -5.413 4.123 16.390 158 2HD ARG 17 1HD ARG 17 -5.198 5.246 15.047 159 HE ARG 17 HE ARG 17 -5.552 6.991 16.489 160 1HH1 ARG 17 1HH1 ARG 17 -6.558 4.026 18.029 161 2HH1 ARG 17 2HH1 ARG 17 -6.791 4.763 19.577 162 1HH2 ARG 17 1HH2 ARG 17 -5.861 7.963 18.524 163 2HH2 ARG 17 2HH2 ARG 17 -6.398 6.998 19.858 164 H CYS 18 H CYS 18 -8.940 3.703 11.465 165 HA CYS 18 HA CYS 18 -11.511 4.198 12.470 166 1HB CYS 18 2HB CYS 18 -10.303 4.699 10.107 167 2HB CYS 18 1HB CYS 18 -11.318 3.338 9.641 168 HG CYS 18 HG CYS 18 -13.082 5.255 11.018 169 H GLN 19 H GLN 19 -13.364 2.993 12.584 170 HA GLN 19 HA GLN 19 -13.006 0.144 12.757 171 1HB GLN 19 2HB GLN 19 -15.482 0.215 13.378 172 2HB GLN 19 1HB GLN 19 -14.362 1.036 14.455 173 1HG GLN 19 2HG GLN 19 -15.219 3.068 14.018 174 2HG GLN 19 1HG GLN 19 -15.517 2.697 12.321 175 1HE2 GLN 19 1HE2 GLN 19 -17.147 3.860 14.614 176 2HE2 GLN 19 2HE2 GLN 19 -18.633 2.981 14.547 177 H THR 20 H THR 20 -14.662 2.376 10.593 178 HA THR 20 HA THR 20 -15.549 0.113 8.962 179 HB THR 20 HB THR 20 -16.445 2.980 9.174 180 HG1 THR 20 1HG THR 20 -17.907 2.062 10.330 181 1HG2 THR 20 1HG2 THR 20 -17.479 1.019 7.154 182 2HG2 THR 20 2HG2 THR 20 -16.360 2.328 6.781 183 3HG2 THR 20 3HG2 THR 20 -17.973 2.695 7.387 184 H ILE 21 H ILE 21 -15.072 0.022 6.758 185 HA ILE 21 HA ILE 21 -12.540 1.132 6.018 186 HB ILE 21 HB ILE 21 -14.499 -0.341 4.254 187 1HG1 ILE 21 2HG1 ILE 21 -14.001 -1.682 6.226 188 2HG1 ILE 21 1HG1 ILE 21 -13.184 -2.360 4.821 189 1HG2 ILE 21 1HG2 ILE 21 -12.487 -0.926 2.963 190 2HG2 ILE 21 2HG2 ILE 21 -11.524 0.095 4.031 191 3HG2 ILE 21 3HG2 ILE 21 -12.771 0.814 3.011 192 1HD1 ILE 21 1HD1 ILE 21 -11.158 -0.987 5.625 193 2HD1 ILE 21 2HD1 ILE 21 -11.580 -2.473 6.477 194 3HD1 ILE 21 3HD1 ILE 21 -12.026 -0.908 7.159 195 H ASP 22 H ASP 22 -15.890 1.639 4.942 196 HA ASP 22 HA ASP 22 -15.424 3.407 2.857 197 1HB ASP 22 2HB ASP 22 -17.717 3.288 4.822 198 2HB ASP 22 1HB ASP 22 -17.718 4.311 3.389 199 H THR 23 H THR 23 -15.987 4.164 6.288 200 HA THR 23 HA THR 23 -15.772 6.916 6.172 201 HB THR 23 HB THR 23 -14.596 5.422 8.473 202 HG1 THR 23 1HG THR 23 -17.367 5.453 7.892 203 1HG2 THR 23 1HG2 THR 23 -16.620 7.023 9.374 204 2HG2 THR 23 2HG2 THR 23 -15.934 7.945 8.037 205 3HG2 THR 23 3HG2 THR 23 -14.901 7.419 9.367 206 H LEU 24 H LEU 24 -13.295 4.451 6.143 207 HA LEU 24 HA LEU 24 -11.144 6.342 6.521 208 1HB LEU 24 2HB LEU 24 -11.032 4.013 7.380 209 2HB LEU 24 1HB LEU 24 -11.044 3.428 5.729 210 HG LEU 24 HG LEU 24 -8.794 3.463 6.846 211 1HD1 LEU 24 1HD1 LEU 24 -9.458 3.816 4.262 212 2HD1 LEU 24 2HD1 LEU 24 -7.800 3.673 4.844 213 3HD1 LEU 24 3HD1 LEU 24 -8.494 5.266 4.544 214 1HD2 LEU 24 1HD2 LEU 24 -8.116 5.298 7.890 215 2HD2 LEU 24 2HD2 LEU 24 -9.530 6.186 7.330 216 3HD2 LEU 24 3HD2 LEU 24 -8.070 6.140 6.342 217 H GLU 25 H GLU 25 -12.602 4.539 3.856 218 HA GLU 25 HA GLU 25 -10.696 5.080 1.890 219 1HB GLU 25 2HB GLU 25 -13.219 3.872 1.990 220 2HB GLU 25 1HB GLU 25 -13.395 5.179 0.827 221 1HG GLU 25 2HG GLU 25 -10.974 3.545 0.518 222 2HG GLU 25 1HG GLU 25 -12.498 2.707 0.229 223 H ARG 26 H ARG 26 -13.278 7.041 3.199 224 HA ARG 26 HA ARG 26 -13.267 9.073 1.239 225 1HB ARG 26 2HB ARG 26 -15.096 8.824 2.844 226 2HB ARG 26 1HB ARG 26 -14.007 9.203 4.171 227 1HG ARG 26 2HG ARG 26 -13.629 11.420 2.837 228 2HG ARG 26 1HG ARG 26 -15.181 11.001 2.107 229 1HD ARG 26 2HD ARG 26 -15.538 10.592 4.841 230 2HD ARG 26 1HD ARG 26 -14.601 12.081 4.726 231 HE ARG 26 HE ARG 26 -16.579 12.431 2.904 232 1HH1 ARG 26 1HH1 ARG 26 -16.545 11.587 6.290 233 2HH1 ARG 26 2HH1 ARG 26 -18.077 12.326 6.617 234 1HH2 ARG 26 1HH2 ARG 26 -18.594 13.403 3.333 235 2HH2 ARG 26 2HH2 ARG 26 -19.241 13.354 4.938 236 H VAL 27 H VAL 27 -11.329 8.492 4.114 237 HA VAL 27 HA VAL 27 -10.043 11.058 3.985 238 HB VAL 27 HB VAL 27 -10.351 9.768 6.124 239 1HG1 VAL 27 1HG1 VAL 27 -9.711 7.626 6.033 240 2HG1 VAL 27 2HG1 VAL 27 -8.103 8.268 6.367 241 3HG1 VAL 27 3HG1 VAL 27 -8.582 7.907 4.711 242 1HG2 VAL 27 1HG2 VAL 27 -7.769 10.218 6.709 243 2HG2 VAL 27 2HG2 VAL 27 -8.965 11.502 6.529 244 3HG2 VAL 27 3HG2 VAL 27 -7.895 11.099 5.186 245 H ILE 28 H ILE 28 -9.533 7.927 2.611 246 HA ILE 28 HA ILE 28 -6.777 8.072 2.090 247 HB ILE 28 HB ILE 28 -8.860 6.718 0.371 248 1HG1 ILE 28 2HG1 ILE 28 -7.349 5.717 2.793 249 2HG1 ILE 28 1HG1 ILE 28 -9.086 5.929 2.643 250 1HG2 ILE 28 1HG2 ILE 28 -5.908 6.178 0.685 251 2HG2 ILE 28 2HG2 ILE 28 -6.671 6.965 -0.697 252 3HG2 ILE 28 3HG2 ILE 28 -7.029 5.277 -0.337 253 1HD1 ILE 28 1HD1 ILE 28 -8.636 4.230 0.607 254 2HD1 ILE 28 2HD1 ILE 28 -9.049 3.726 2.245 255 3HD1 ILE 28 3HD1 ILE 28 -7.364 3.741 1.726 256 H GLU 29 H GLU 29 -9.587 9.259 0.343 257 HA GLU 29 HA GLU 29 -8.106 10.145 -1.937 258 1HB GLU 29 2HB GLU 29 -10.473 9.568 -2.111 259 2HB GLU 29 1HB GLU 29 -10.889 10.858 -0.992 260 1HG GLU 29 2HG GLU 29 -9.809 12.431 -2.693 261 2HG GLU 29 1HG GLU 29 -9.895 11.070 -3.810 262 H LYS 30 H LYS 30 -9.436 11.732 0.941 263 HA LYS 30 HA LYS 30 -8.642 14.351 0.169 264 1HB LYS 30 2HB LYS 30 -9.798 13.068 2.560 265 2HB LYS 30 1HB LYS 30 -8.847 14.512 2.877 266 1HG LYS 30 2HG LYS 30 -11.227 14.296 1.045 267 2HG LYS 30 1HG LYS 30 -11.168 15.098 2.617 268 1HD LYS 30 2HD LYS 30 -9.215 16.450 1.495 269 2HD LYS 30 1HD LYS 30 -10.012 15.947 0.002 270 1HE LYS 30 2HE LYS 30 -11.211 17.523 2.275 271 2HE LYS 30 1HE LYS 30 -10.867 18.097 0.644 272 1HZ LYS 30 1HZ LYS 30 -13.150 17.652 0.689 273 2HZ LYS 30 2HZ LYS 30 -12.952 16.182 1.501 274 3HZ LYS 30 3HZ LYS 30 -12.477 16.324 -0.117 275 H ASN 31 H ASN 31 -7.118 11.800 2.059 276 HA ASN 31 HA ASN 31 -4.950 13.462 2.932 277 1HB ASN 31 2HB ASN 31 -5.652 11.595 4.311 278 2HB ASN 31 1HB ASN 31 -5.308 10.464 3.008 279 1HD2 ASN 31 1HD2 ASN 31 -3.979 12.476 5.489 280 2HD2 ASN 31 2HD2 ASN 31 -2.368 11.857 5.420 281 H LYS 32 H LYS 32 -5.380 11.008 0.415 282 HA LYS 32 HA LYS 32 -2.716 10.831 -0.409 283 1HB LYS 32 2HB LYS 32 -3.507 9.803 -2.396 284 2HB LYS 32 1HB LYS 32 -4.628 9.340 -1.126 285 1HG LYS 32 2HG LYS 32 -6.240 9.973 -2.514 286 2HG LYS 32 1HG LYS 32 -5.758 11.630 -2.148 287 1HD LYS 32 2HD LYS 32 -4.014 11.253 -4.044 288 2HD LYS 32 1HD LYS 32 -5.094 9.942 -4.525 289 1HE LYS 32 2HE LYS 32 -5.871 12.837 -4.183 290 2HE LYS 32 1HE LYS 32 -5.601 12.017 -5.721 291 1HZ LYS 32 1HZ LYS 32 -7.991 12.258 -4.586 292 2HZ LYS 32 2HZ LYS 32 -7.524 10.767 -3.938 293 3HZ LYS 32 3HZ LYS 32 -7.580 10.980 -5.615 294 H TYR 33 H TYR 33 -5.175 13.215 -1.100 295 HA TYR 33 HA TYR 33 -3.487 14.527 -3.082 296 1HB TYR 33 2HB TYR 33 -6.223 14.285 -2.825 297 2HB TYR 33 1HB TYR 33 -5.925 15.932 -2.280 298 HD1 TYR 33 1HD TYR 33 -3.842 16.938 -3.947 299 HD2 TYR 33 2HD TYR 33 -7.018 14.307 -4.989 300 HE1 TYR 33 1HE TYR 33 -3.684 17.683 -6.285 301 HE2 TYR 33 2HE TYR 33 -6.869 15.044 -7.329 302 HH TYR 33 HH TYR 33 -4.277 16.728 -8.566 303 H GLU 34 H GLU 34 -4.076 14.659 0.272 304 HA GLU 34 HA GLU 34 -3.594 17.445 0.657 305 1HB GLU 34 2HB GLU 34 -4.790 15.880 2.262 306 2HB GLU 34 1HB GLU 34 -3.203 15.274 2.713 307 1HG GLU 34 2HG GLU 34 -2.758 17.881 3.043 308 2HG GLU 34 1HG GLU 34 -4.498 17.858 3.325 309 H LEU 35 H LEU 35 -1.586 14.731 1.830 310 HA LEU 35 HA LEU 35 0.717 16.307 2.098 311 1HB LEU 35 2HB LEU 35 1.886 14.368 2.631 312 2HB LEU 35 1HB LEU 35 0.278 14.086 3.207 313 HG LEU 35 HG LEU 35 1.838 12.604 1.232 314 1HD1 LEU 35 1HD1 LEU 35 0.157 12.149 3.477 315 2HD1 LEU 35 2HD1 LEU 35 1.213 11.025 2.632 316 3HD1 LEU 35 3HD1 LEU 35 -0.456 11.223 2.110 317 1HD2 LEU 35 1HD2 LEU 35 -0.931 13.475 0.565 318 2HD2 LEU 35 2HD2 LEU 35 -0.410 11.842 0.164 319 3HD2 LEU 35 3HD2 LEU 35 0.459 13.227 -0.489 320 H SER 36 H SER 36 2.711 14.694 0.927 321 HA SER 36 HA SER 36 2.376 15.371 -1.921 322 1HB SER 36 2HB SER 36 3.972 16.884 -0.808 323 2HB SER 36 1HB SER 36 4.916 15.493 -0.276 324 HG SER 36 HG SER 36 4.403 16.209 -2.976 325 H ASP 37 H ASP 37 4.366 14.190 -3.129 326 HA ASP 37 HA ASP 37 3.715 11.467 -3.167 327 1HB ASP 37 2HB ASP 37 6.068 12.999 -4.273 328 2HB ASP 37 1HB ASP 37 5.872 11.268 -4.525 329 H ASN 38 H ASN 38 5.975 13.263 -1.251 330 HA ASN 38 HA ASN 38 7.625 11.063 -0.510 331 1HB ASN 38 2HB ASN 38 7.336 13.897 0.318 332 2HB ASN 38 1HB ASN 38 8.096 12.802 1.470 333 1HD2 ASN 38 1HD2 ASN 38 9.575 11.159 0.024 334 2HD2 ASN 38 2HD2 ASN 38 10.763 12.011 -0.897 335 H GLU 39 H GLU 39 4.951 12.766 1.140 336 HA GLU 39 HA GLU 39 5.038 10.944 3.362 337 1HB GLU 39 2HB GLU 39 4.370 13.207 3.781 338 2HB GLU 39 1HB GLU 39 3.135 13.128 2.540 339 1HG GLU 39 2HG GLU 39 1.758 12.796 4.262 340 2HG GLU 39 1HG GLU 39 2.330 11.131 4.174 341 H LEU 40 H LEU 40 3.174 11.355 0.420 342 HA LEU 40 HA LEU 40 1.077 9.588 0.964 343 1HB LEU 40 2HB LEU 40 1.390 11.216 -0.985 344 2HB LEU 40 1HB LEU 40 2.279 9.924 -1.766 345 HG LEU 40 HG LEU 40 -0.510 9.477 -0.751 346 1HD1 LEU 40 1HD1 LEU 40 0.133 10.391 -3.541 347 2HD1 LEU 40 2HD1 LEU 40 -0.397 11.493 -2.270 348 3HD1 LEU 40 3HD1 LEU 40 -1.452 10.180 -2.795 349 1HD2 LEU 40 1HD2 LEU 40 0.113 7.427 -1.409 350 2HD2 LEU 40 2HD2 LEU 40 1.463 8.035 -2.367 351 3HD2 LEU 40 3HD2 LEU 40 -0.168 8.041 -3.038 352 H ALA 41 H ALA 41 4.378 8.998 -0.049 353 HA ALA 41 HA ALA 41 4.131 6.372 -0.976 354 1HB ALA 41 1HB ALA 41 6.279 6.984 -1.316 355 2HB ALA 41 2HB ALA 41 6.540 6.308 0.293 356 3HB ALA 41 3HB ALA 41 6.304 8.045 0.092 357 H VAL 42 H VAL 42 4.260 7.728 2.239 358 HA VAL 42 HA VAL 42 4.337 5.201 3.602 359 HB VAL 42 HB VAL 42 3.668 7.966 4.636 360 1HG1 VAL 42 1HG1 VAL 42 3.276 5.461 5.863 361 2HG1 VAL 42 2HG1 VAL 42 3.161 7.058 6.600 362 3HG1 VAL 42 3HG1 VAL 42 4.691 6.182 6.630 363 1HG2 VAL 42 1HG2 VAL 42 6.055 7.458 5.694 364 2HG2 VAL 42 2HG2 VAL 42 5.867 8.216 4.112 365 3HG2 VAL 42 3HG2 VAL 42 6.205 6.488 4.230 366 H PHE 43 H PHE 43 1.905 7.445 2.439 367 HA PHE 43 HA PHE 43 -0.262 6.316 3.926 368 1HB PHE 43 2HB PHE 43 -0.093 8.658 2.873 369 2HB PHE 43 1HB PHE 43 -0.537 7.869 1.363 370 HD1 PHE 43 1HD PHE 43 -1.733 7.374 4.855 371 HD2 PHE 43 2HD PHE 43 -2.692 8.473 0.858 372 HE1 PHE 43 1HE PHE 43 -4.110 7.533 5.474 373 HE2 PHE 43 2HE PHE 43 -5.067 8.636 1.468 374 HZ PHE 43 HZ PHE 43 -5.780 8.166 3.779 375 H TYR 44 H TYR 44 0.831 6.036 0.556 376 HA TYR 44 HA TYR 44 -1.169 4.295 -0.336 377 1HB TYR 44 2HB TYR 44 0.821 5.586 -1.567 378 2HB TYR 44 1HB TYR 44 1.577 4.001 -1.448 379 HD1 TYR 44 1HD TYR 44 -1.147 5.933 -2.955 380 HD2 TYR 44 2HD TYR 44 0.705 2.112 -2.700 381 HE1 TYR 44 1HE TYR 44 -2.395 5.202 -4.944 382 HE2 TYR 44 2HE TYR 44 -0.537 1.370 -4.688 383 HH TYR 44 HH TYR 44 -2.293 3.551 -6.679 384 H SER 45 H SER 45 2.067 3.584 0.957 385 HA SER 45 HA SER 45 1.934 0.797 0.719 386 1HB SER 45 2HB SER 45 3.867 2.530 1.481 387 2HB SER 45 1HB SER 45 3.409 1.869 3.052 388 HG SER 45 HG SER 45 5.096 0.745 1.695 389 H ALA 46 H ALA 46 0.819 2.965 3.259 390 HA ALA 46 HA ALA 46 0.197 0.922 5.139 391 1HB ALA 46 1HB ALA 46 0.321 2.862 6.282 392 2HB ALA 46 2HB ALA 46 -1.399 2.953 5.907 393 3HB ALA 46 3HB ALA 46 -0.233 3.828 4.915 394 H ALA 47 H ALA 47 -1.562 2.473 2.531 395 HA ALA 47 HA ALA 47 -4.128 1.466 3.248 396 1HB ALA 47 1HB ALA 47 -3.021 2.635 0.711 397 2HB ALA 47 2HB ALA 47 -4.110 3.382 1.879 398 3HB ALA 47 3HB ALA 47 -4.686 2.071 0.849 399 H ASP 48 H ASP 48 -1.524 0.324 1.169 400 HA ASP 48 HA ASP 48 -2.900 -1.739 -0.130 401 1HB ASP 48 2HB ASP 48 -0.052 -1.096 0.407 402 2HB ASP 48 1HB ASP 48 -0.415 -2.761 -0.034 403 H HIS 49 H HIS 49 -1.065 -1.752 2.909 404 HA HIS 49 HA HIS 49 -1.260 -4.478 3.474 405 1HB HIS 49 2HB HIS 49 -0.824 -2.015 5.096 406 2HB HIS 49 1HB HIS 49 -1.212 -3.504 5.951 407 HD1 HIS 49 1HD HIS 49 1.613 -1.663 5.119 408 HD2 HIS 49 2HD HIS 49 0.647 -5.683 4.701 409 HE1 HIS 49 1HE HIS 49 3.812 -2.864 4.905 410 HE2 HIS 49 2HE HIS 49 3.205 -5.304 4.741 411 H ARG 50 H ARG 50 -3.413 -1.806 4.406 412 HA ARG 50 HA ARG 50 -5.250 -3.425 5.828 413 1HB ARG 50 2HB ARG 50 -4.883 -0.723 5.486 414 2HB ARG 50 1HB ARG 50 -6.367 -1.013 4.586 415 1HG ARG 50 2HG ARG 50 -6.003 -2.010 7.390 416 2HG ARG 50 1HG ARG 50 -6.573 -0.376 7.044 417 1HD ARG 50 2HD ARG 50 -8.094 -2.072 5.415 418 2HD ARG 50 1HD ARG 50 -8.012 -2.870 6.985 419 HE ARG 50 HE ARG 50 -9.390 -0.424 6.344 420 1HH1 ARG 50 1HH1 ARG 50 -7.975 -2.343 8.894 421 2HH1 ARG 50 2HH1 ARG 50 -8.934 -1.620 10.140 422 1HH2 ARG 50 1HH2 ARG 50 -10.652 0.528 7.984 423 2HH2 ARG 50 2HH2 ARG 50 -10.455 0.010 9.625 424 H LEU 51 H LEU 51 -5.025 -2.389 2.476 425 HA LEU 51 HA LEU 51 -7.582 -3.415 1.713 426 1HB LEU 51 2HB LEU 51 -5.360 -2.033 0.450 427 2HB LEU 51 1HB LEU 51 -6.015 -3.286 -0.584 428 HG LEU 51 HG LEU 51 -7.977 -1.461 0.685 429 1HD1 LEU 51 1HD1 LEU 51 -5.912 -0.127 -0.179 430 2HD1 LEU 51 2HD1 LEU 51 -7.542 0.397 -0.598 431 3HD1 LEU 51 3HD1 LEU 51 -6.577 -0.502 -1.769 432 1HD2 LEU 51 1HD2 LEU 51 -7.684 -3.104 -1.755 433 2HD2 LEU 51 2HD2 LEU 51 -8.630 -1.622 -1.905 434 3HD2 LEU 51 3HD2 LEU 51 -9.088 -2.846 -0.721 435 H ALA 52 H ALA 52 -4.339 -4.679 1.895 436 HA ALA 52 HA ALA 52 -4.626 -6.929 0.238 437 1HB ALA 52 1HB ALA 52 -2.845 -7.655 2.251 438 2HB ALA 52 2HB ALA 52 -2.691 -5.904 2.110 439 3HB ALA 52 3HB ALA 52 -2.455 -6.926 0.693 440 H GLU 53 H GLU 53 -4.980 -6.632 3.777 441 HA GLU 53 HA GLU 53 -5.778 -9.325 4.149 442 1HB GLU 53 2HB GLU 53 -6.633 -8.444 6.383 443 2HB GLU 53 1HB GLU 53 -4.916 -8.240 6.055 444 1HG GLU 53 2HG GLU 53 -5.051 -6.011 6.099 445 2HG GLU 53 1HG GLU 53 -6.565 -5.987 5.199 446 H LEU 54 H LEU 54 -7.500 -6.389 3.376 447 HA LEU 54 HA LEU 54 -10.103 -7.190 4.030 448 1HB LEU 54 2HB LEU 54 -8.999 -4.930 3.019 449 2HB LEU 54 1HB LEU 54 -9.780 -5.567 1.585 450 HG LEU 54 HG LEU 54 -11.916 -5.694 2.934 451 1HD1 LEU 54 1HD1 LEU 54 -10.192 -4.174 4.871 452 2HD1 LEU 54 2HD1 LEU 54 -11.139 -5.634 5.161 453 3HD1 LEU 54 3HD1 LEU 54 -11.953 -4.094 4.888 454 1HD2 LEU 54 1HD2 LEU 54 -12.066 -3.953 1.499 455 2HD2 LEU 54 2HD2 LEU 54 -10.526 -3.258 2.006 456 3HD2 LEU 54 3HD2 LEU 54 -11.968 -3.016 2.991 457 H THR 55 H THR 55 -8.169 -7.686 1.129 458 HA THR 55 HA THR 55 -10.297 -9.078 -0.245 459 HB THR 55 HB THR 55 -7.372 -8.757 -0.954 460 HG1 THR 55 1HG THR 55 -8.189 -7.173 -2.386 461 1HG2 THR 55 1HG2 THR 55 -7.723 -9.686 -2.989 462 2HG2 THR 55 2HG2 THR 55 -9.436 -9.269 -3.012 463 3HG2 THR 55 3HG2 THR 55 -8.874 -10.637 -2.051 464 H MET 56 H MET 56 -7.475 -9.857 1.655 465 HA MET 56 HA MET 56 -7.751 -12.711 1.087 466 1HB MET 56 2HB MET 56 -5.551 -11.140 1.480 467 2HB MET 56 1HB MET 56 -5.767 -11.854 3.072 468 1HG MET 56 2HG MET 56 -4.332 -13.327 2.008 469 2HG MET 56 1HG MET 56 -5.910 -14.091 1.826 470 1HE MET 56 1HE MET 56 -2.947 -14.074 -0.952 471 2HE MET 56 2HE MET 56 -2.863 -13.278 0.619 472 3HE MET 56 3HE MET 56 -2.988 -12.314 -0.853 473 H ASN 57 H ASN 57 -9.636 -11.001 2.756 474 HA ASN 57 HA ASN 57 -11.015 -11.424 4.506 475 1HB ASN 57 2HB ASN 57 -9.278 -13.792 5.207 476 2HB ASN 57 1HB ASN 57 -10.934 -13.495 5.720 477 1HD2 ASN 57 1HD2 ASN 57 -11.875 -15.268 4.873 478 2HD2 ASN 57 2HD2 ASN 57 -11.960 -15.607 3.181 479 H LYS 58 H LYS 58 -7.830 -12.481 5.707 480 HA LYS 58 HA LYS 58 -7.521 -10.079 7.262 481 1HB LYS 58 2HB LYS 58 -8.289 -12.682 8.536 482 2HB LYS 58 1HB LYS 58 -7.275 -11.541 9.406 483 1HG LYS 58 2HG LYS 58 -10.078 -11.101 8.407 484 2HG LYS 58 1HG LYS 58 -9.532 -11.196 10.082 485 1HD LYS 58 2HD LYS 58 -8.934 -9.026 8.075 486 2HD LYS 58 1HD LYS 58 -9.891 -8.891 9.550 487 1HE LYS 58 2HE LYS 58 -7.497 -9.832 10.491 488 2HE LYS 58 1HE LYS 58 -6.992 -8.781 9.169 489 1HZ LYS 58 1HZ LYS 58 -7.103 -7.503 11.163 490 2HZ LYS 58 2HZ LYS 58 -8.675 -8.032 11.497 491 3HZ LYS 58 3HZ LYS 58 -8.388 -7.019 10.173 492 H LEU 59 H LEU 59 -5.972 -11.289 5.242 493 HA LEU 59 HA LEU 59 -3.603 -12.109 6.787 494 1HB LEU 59 2HB LEU 59 -4.341 -13.968 5.472 495 2HB LEU 59 1HB LEU 59 -4.489 -12.970 4.040 496 HG LEU 59 HG LEU 59 -2.488 -14.544 4.169 497 1HD1 LEU 59 1HD1 LEU 59 -2.858 -12.267 2.825 498 2HD1 LEU 59 2HD1 LEU 59 -1.373 -13.214 2.718 499 3HD1 LEU 59 3HD1 LEU 59 -1.445 -11.805 3.778 500 1HD2 LEU 59 1HD2 LEU 59 -1.778 -14.201 6.421 501 2HD2 LEU 59 2HD2 LEU 59 -1.631 -12.461 6.169 502 3HD2 LEU 59 3HD2 LEU 59 -0.519 -13.566 5.360 503 H TYR 60 H TYR 60 -2.073 -10.621 6.813 504 HA TYR 60 HA TYR 60 -1.558 -9.073 4.384 505 1HB TYR 60 2HB TYR 60 -1.543 -7.003 5.441 506 2HB TYR 60 1HB TYR 60 -2.919 -7.800 6.187 507 HD1 TYR 60 1HD TYR 60 -2.980 -8.178 8.528 508 HD2 TYR 60 2HD TYR 60 0.624 -6.883 6.678 509 HE1 TYR 60 1HE TYR 60 -2.002 -7.758 10.747 510 HE2 TYR 60 2HE TYR 60 1.615 -6.458 8.892 511 HH TYR 60 HH TYR 60 0.377 -5.907 11.388 512 H ASP 61 H ASP 61 0.604 -8.061 4.379 513 HA ASP 61 HA ASP 61 2.847 -7.951 4.874 514 1HB ASP 61 2HB ASP 61 2.075 -8.647 7.283 515 2HB ASP 61 1HB ASP 61 2.691 -10.228 6.814 516 H LYS 62 H LYS 62 1.352 -11.157 4.731 517 HA LYS 62 HA LYS 62 3.640 -12.175 3.233 518 1HB LYS 62 2HB LYS 62 1.540 -13.340 4.884 519 2HB LYS 62 1HB LYS 62 1.749 -14.204 3.367 520 1HG LYS 62 2HG LYS 62 4.300 -13.614 4.572 521 2HG LYS 62 1HG LYS 62 3.250 -14.484 5.693 522 1HD LYS 62 2HD LYS 62 2.997 -16.298 4.205 523 2HD LYS 62 1HD LYS 62 3.654 -15.377 2.850 524 1HE LYS 62 2HE LYS 62 5.820 -15.266 4.164 525 2HE LYS 62 1HE LYS 62 5.117 -16.474 5.239 526 1HZ LYS 62 1HZ LYS 62 5.068 -18.055 3.548 527 2HZ LYS 62 2HZ LYS 62 6.563 -17.293 3.333 528 3HZ LYS 62 3HZ LYS 62 5.265 -16.909 2.320 529 H ILE 63 H ILE 63 1.449 -10.230 2.259 530 HA ILE 63 HA ILE 63 -0.113 -11.522 0.317 531 HB ILE 63 HB ILE 63 0.945 -8.696 0.192 532 1HG1 ILE 63 2HG1 ILE 63 -1.776 -8.847 1.059 533 2HG1 ILE 63 1HG1 ILE 63 -0.809 -9.899 2.088 534 1HG2 ILE 63 1HG2 ILE 63 -1.008 -10.241 -1.385 535 2HG2 ILE 63 2HG2 ILE 63 -0.001 -8.870 -1.849 536 3HG2 ILE 63 3HG2 ILE 63 -1.490 -8.603 -0.943 537 1HD1 ILE 63 1HD1 ILE 63 0.740 -7.956 2.436 538 2HD1 ILE 63 2HD1 ILE 63 -0.877 -7.771 3.119 539 3HD1 ILE 63 3HD1 ILE 63 -0.456 -6.955 1.612 540 HA PRO 64 HA PRO 64 3.337 -12.741 -2.350 541 1HB PRO 64 2HB PRO 64 1.071 -13.537 -4.093 542 2HB PRO 64 1HB PRO 64 2.461 -14.484 -3.552 543 1HG PRO 64 2HG PRO 64 0.038 -14.906 -2.524 544 2HG PRO 64 1HG PRO 64 1.490 -14.991 -1.509 545 1HD PRO 64 2HD PRO 64 -0.545 -12.807 -1.736 546 2HD PRO 64 1HD PRO 64 0.294 -13.426 -0.294 547 H SER 65 H SER 65 3.542 -12.535 -4.896 548 HA SER 65 HA SER 65 3.094 -9.719 -5.467 549 1HB SER 65 2HB SER 65 4.644 -10.052 -7.333 550 2HB SER 65 1HB SER 65 5.333 -10.693 -5.841 551 HG SER 65 HG SER 65 5.347 -12.607 -6.702 552 H SER 66 H SER 66 2.028 -12.862 -6.546 553 HA SER 66 HA SER 66 0.798 -11.953 -8.958 554 1HB SER 66 2HB SER 66 1.527 -14.374 -8.220 555 2HB SER 66 1HB SER 66 -0.104 -14.439 -7.553 556 HG SER 66 HG SER 66 -0.759 -13.702 -9.743 557 H VAL 67 H VAL 67 -0.365 -12.644 -5.683 558 HA VAL 67 HA VAL 67 -3.097 -12.325 -6.123 559 HB VAL 67 HB VAL 67 -1.628 -11.503 -3.617 560 1HG1 VAL 67 1HG1 VAL 67 -3.720 -10.890 -3.066 561 2HG1 VAL 67 2HG1 VAL 67 -3.974 -12.619 -2.835 562 3HG1 VAL 67 3HG1 VAL 67 -4.451 -11.854 -4.350 563 1HG2 VAL 67 1HG2 VAL 67 -2.447 -13.962 -3.029 564 2HG2 VAL 67 2HG2 VAL 67 -0.876 -13.646 -3.765 565 3HG2 VAL 67 3HG2 VAL 67 -2.231 -14.170 -4.766 566 H TRP 68 H TRP 68 -0.832 -9.876 -4.844 567 HA TRP 68 HA TRP 68 -2.615 -7.733 -4.883 568 1HB TRP 68 2HB TRP 68 0.161 -8.128 -4.371 569 2HB TRP 68 1HB TRP 68 0.004 -6.755 -5.461 570 HD1 TRP 68 HD TRP 68 0.770 -6.815 -2.208 571 HE1 TRP 68 1HE TRP 68 -0.498 -5.152 -0.713 572 HE3 TRP 68 3HE TRP 68 -3.232 -5.867 -5.247 573 HZ2 TRP 68 2HZ TRP 68 -2.878 -3.638 -0.804 574 HZ3 TRP 68 3HZ TRP 68 -4.960 -4.301 -4.467 575 HH2 TRP 68 HH TRP 68 -4.786 -3.210 -2.290 576 H LYS 69 H LYS 69 -0.611 -9.093 -7.417 577 HA LYS 69 HA LYS 69 -0.780 -7.012 -9.284 578 1HB LYS 69 2HB LYS 69 0.183 -9.690 -9.223 579 2HB LYS 69 1HB LYS 69 -0.821 -9.515 -10.656 580 1HG LYS 69 2HG LYS 69 1.169 -7.389 -10.104 581 2HG LYS 69 1HG LYS 69 1.762 -8.954 -10.665 582 1HD LYS 69 2HD LYS 69 1.426 -7.900 -12.672 583 2HD LYS 69 1HD LYS 69 -0.149 -8.665 -12.451 584 1HE LYS 69 2HE LYS 69 -1.167 -6.662 -11.823 585 2HE LYS 69 1HE LYS 69 0.373 -5.889 -11.452 586 1HZ LYS 69 1HZ LYS 69 -0.866 -6.379 -14.079 587 2HZ LYS 69 2HZ LYS 69 0.813 -6.202 -13.956 588 3HZ LYS 69 3HZ LYS 69 -0.208 -4.948 -13.459 589 H PHE 70 H PHE 70 -2.948 -9.717 -8.617 590 HA PHE 70 HA PHE 70 -4.715 -9.122 -10.791 591 1HB PHE 70 2HB PHE 70 -4.440 -11.396 -9.763 592 2HB PHE 70 1HB PHE 70 -5.287 -10.797 -8.341 593 HD1 PHE 70 1HD PHE 70 -5.642 -11.417 -11.971 594 HD2 PHE 70 2HD PHE 70 -7.628 -10.725 -8.272 595 HE1 PHE 70 1HE PHE 70 -7.793 -11.980 -13.025 596 HE2 PHE 70 2HE PHE 70 -9.783 -11.287 -9.318 597 HZ PHE 70 HZ PHE 70 -9.867 -11.916 -11.698 598 H ILE 71 H ILE 71 -4.729 -8.526 -7.301 599 HA ILE 71 HA ILE 71 -7.292 -7.332 -7.202 600 HB ILE 71 HB ILE 71 -4.980 -6.825 -5.327 601 1HG1 ILE 71 2HG1 ILE 71 -7.129 -8.809 -4.733 602 2HG1 ILE 71 1HG1 ILE 71 -5.845 -9.287 -5.838 603 1HG2 ILE 71 1HG2 ILE 71 -7.954 -6.637 -4.868 604 2HG2 ILE 71 2HG2 ILE 71 -6.876 -5.266 -5.131 605 3HG2 ILE 71 3HG2 ILE 71 -6.684 -6.278 -3.699 606 1HD1 ILE 71 1HD1 ILE 71 -5.703 -9.670 -3.219 607 2HD1 ILE 71 2HD1 ILE 71 -5.027 -8.042 -3.286 608 3HD1 ILE 71 3HD1 ILE 71 -4.280 -9.347 -4.209 609 H ARG 72 H ARG 72 -7.964 -5.314 -7.627 610 HA ARG 72 HA ARG 72 -5.975 -3.403 -8.615 611 1HB ARG 72 2HB ARG 72 -8.988 -3.376 -8.877 612 2HB ARG 72 1HB ARG 72 -7.881 -2.237 -9.631 613 1HG ARG 72 2HG ARG 72 -7.218 -3.716 -11.224 614 2HG ARG 72 1HG ARG 72 -7.465 -5.118 -10.182 615 1HD ARG 72 2HD ARG 72 -9.597 -5.382 -10.837 616 2HD ARG 72 1HD ARG 72 -9.914 -3.648 -10.837 617 HE ARG 72 HE ARG 72 -9.133 -5.267 -13.075 618 1HH1 ARG 72 1HH1 ARG 72 -9.138 -2.038 -11.754 619 2HH1 ARG 72 2HH1 ARG 72 -9.024 -1.270 -13.301 620 1HH2 ARG 72 1HH2 ARG 72 -8.980 -4.259 -15.111 621 2HH2 ARG 72 2HH2 ARG 72 -8.933 -2.530 -15.208 Start of MODEL 10 1 1H MET 1 1HT MET 1 7.951 5.606 15.903 2 2H MET 1 2HT MET 1 7.255 6.757 16.969 3 3H MET 1 3HT MET 1 8.814 6.116 17.293 4 HA MET 1 HA MET 1 8.203 7.608 14.845 5 1HB MET 1 2HB MET 1 9.020 9.607 15.977 6 2HB MET 1 1HB MET 1 7.608 8.972 16.810 7 1HG MET 1 2HG MET 1 9.610 7.730 18.151 8 2HG MET 1 1HG MET 1 10.375 9.260 17.728 9 1HE MET 1 1HE MET 1 10.795 9.469 20.041 10 2HE MET 1 2HE MET 1 9.665 9.954 21.305 11 3HE MET 1 3HE MET 1 10.161 11.115 20.073 12 H SER 2 H SER 2 9.767 6.952 13.510 13 HA SER 2 HA SER 2 12.488 6.643 14.601 14 1HB SER 2 2HB SER 2 10.943 5.021 12.644 15 2HB SER 2 1HB SER 2 12.665 5.231 12.329 16 HG SER 2 HG SER 2 11.900 3.395 13.735 17 H GLU 3 H GLU 3 10.548 7.774 11.876 18 HA GLU 3 HA GLU 3 12.881 9.301 10.925 19 1HB GLU 3 2HB GLU 3 11.725 7.564 9.401 20 2HB GLU 3 1HB GLU 3 10.429 8.745 9.277 21 1HG GLU 3 2HG GLU 3 11.537 9.860 7.727 22 2HG GLU 3 1HG GLU 3 12.924 10.043 8.800 23 H LYS 4 H LYS 4 12.643 11.484 10.419 24 HA LYS 4 HA LYS 4 10.962 12.989 12.057 25 1HB LYS 4 2HB LYS 4 13.026 13.499 10.182 26 2HB LYS 4 1HB LYS 4 11.668 14.527 9.745 27 1HG LYS 4 2HG LYS 4 11.648 15.083 12.298 28 2HG LYS 4 1HG LYS 4 13.318 14.518 12.222 29 1HD LYS 4 2HD LYS 4 13.727 16.126 10.378 30 2HD LYS 4 1HD LYS 4 12.086 16.739 10.594 31 1HE LYS 4 2HE LYS 4 13.236 18.232 11.887 32 2HE LYS 4 1HE LYS 4 12.879 16.998 13.094 33 1HZ LYS 4 1HZ LYS 4 15.047 16.186 13.008 34 2HZ LYS 4 2HZ LYS 4 15.250 17.865 12.962 35 3HZ LYS 4 3HZ LYS 4 15.395 16.958 11.543 36 HA PRO 5 HA PRO 5 8.094 13.841 8.301 37 1HB PRO 5 2HB PRO 5 8.542 12.549 5.972 38 2HB PRO 5 1HB PRO 5 9.347 14.069 6.381 39 1HG PRO 5 2HG PRO 5 10.380 11.266 6.576 40 2HG PRO 5 1HG PRO 5 11.201 12.721 5.983 41 1HD PRO 5 2HD PRO 5 11.591 11.711 8.478 42 2HD PRO 5 1HD PRO 5 11.725 13.440 8.102 43 H LEU 6 H LEU 6 7.607 12.025 10.195 44 HA LEU 6 HA LEU 6 6.305 10.264 10.796 45 1HB LEU 6 2HB LEU 6 5.274 10.858 8.039 46 2HB LEU 6 1HB LEU 6 4.604 9.551 8.997 47 HG LEU 6 HG LEU 6 3.241 11.565 9.183 48 1HD1 LEU 6 1HD1 LEU 6 3.964 9.942 11.199 49 2HD1 LEU 6 2HD1 LEU 6 2.795 11.251 11.369 50 3HD1 LEU 6 3HD1 LEU 6 4.471 11.496 11.860 51 1HD2 LEU 6 1HD2 LEU 6 5.032 13.202 8.791 52 2HD2 LEU 6 2HD2 LEU 6 5.691 12.847 10.388 53 3HD2 LEU 6 3HD2 LEU 6 4.092 13.577 10.236 54 H THR 7 H THR 7 5.779 7.959 10.351 55 HA THR 7 HA THR 7 7.781 6.702 8.598 56 HB THR 7 HB THR 7 7.498 4.839 10.544 57 HG1 THR 7 1HG THR 7 6.298 6.034 11.943 58 1HG2 THR 7 1HG2 THR 7 9.459 7.038 10.186 59 2HG2 THR 7 2HG2 THR 7 9.678 5.292 10.072 60 3HG2 THR 7 3HG2 THR 7 9.535 6.062 11.652 61 H LYS 8 H LYS 8 7.235 4.324 8.222 62 HA LYS 8 HA LYS 8 4.697 4.165 7.006 63 1HB LYS 8 2HB LYS 8 6.921 2.236 7.516 64 2HB LYS 8 1HB LYS 8 5.366 1.614 6.979 65 1HG LYS 8 2HG LYS 8 5.590 2.460 4.896 66 2HG LYS 8 1HG LYS 8 6.476 3.882 5.448 67 1HD LYS 8 2HD LYS 8 8.470 2.498 5.794 68 2HD LYS 8 1HD LYS 8 7.582 1.083 5.227 69 1HE LYS 8 2HE LYS 8 8.876 1.864 3.396 70 2HE LYS 8 1HE LYS 8 7.201 2.311 3.070 71 1HZ LYS 8 1HZ LYS 8 7.918 4.518 4.215 72 2HZ LYS 8 2HZ LYS 8 8.294 4.248 2.588 73 3HZ LYS 8 3HZ LYS 8 9.477 4.027 3.777 74 H THR 9 H THR 9 5.851 3.256 10.166 75 HA THR 9 HA THR 9 3.580 1.604 10.789 76 HB THR 9 HB THR 9 5.785 1.223 11.828 77 HG1 THR 9 1HG THR 9 3.804 1.972 13.711 78 1HG2 THR 9 1HG2 THR 9 6.106 3.830 12.130 79 2HG2 THR 9 2HG2 THR 9 6.882 2.657 13.194 80 3HG2 THR 9 3HG2 THR 9 5.406 3.475 13.709 81 H ASP 10 H ASP 10 4.544 4.940 11.336 82 HA ASP 10 HA ASP 10 2.656 5.667 13.253 83 1HB ASP 10 2HB ASP 10 4.450 7.026 11.420 84 2HB ASP 10 1HB ASP 10 2.937 7.907 11.605 85 H TYR 11 H TYR 11 2.424 5.861 9.704 86 HA TYR 11 HA TYR 11 -0.314 6.715 9.778 87 1HB TYR 11 2HB TYR 11 1.730 6.223 7.727 88 2HB TYR 11 1HB TYR 11 0.095 5.819 7.215 89 HD1 TYR 11 1HD TYR 11 2.309 8.534 8.339 90 HD2 TYR 11 2HD TYR 11 -1.553 7.533 6.859 91 HE1 TYR 11 1HE TYR 11 1.870 10.912 7.891 92 HE2 TYR 11 2HE TYR 11 -2.002 9.908 6.406 93 HH TYR 11 HH TYR 11 -0.293 12.044 5.923 94 H LEU 12 H LEU 12 1.366 3.686 9.028 95 HA LEU 12 HA LEU 12 -0.815 2.144 8.262 96 1HB LEU 12 2HB LEU 12 1.461 1.362 8.013 97 2HB LEU 12 1HB LEU 12 1.682 1.338 9.752 98 HG LEU 12 HG LEU 12 -0.284 -0.382 9.711 99 1HD1 LEU 12 1HD1 LEU 12 -0.710 0.020 7.272 100 2HD1 LEU 12 2HD1 LEU 12 -0.497 -1.670 7.729 101 3HD1 LEU 12 3HD1 LEU 12 0.818 -0.796 6.943 102 1HD2 LEU 12 1HD2 LEU 12 2.450 -1.147 8.699 103 2HD2 LEU 12 2HD2 LEU 12 1.309 -2.188 9.547 104 3HD2 LEU 12 3HD2 LEU 12 2.050 -0.825 10.386 105 H MET 13 H MET 13 0.424 2.854 11.493 106 HA MET 13 HA MET 13 -1.384 1.121 12.852 107 1HB MET 13 2HB MET 13 0.299 3.443 13.801 108 2HB MET 13 1HB MET 13 -0.675 2.450 14.878 109 1HG MET 13 2HG MET 13 1.166 0.995 13.100 110 2HG MET 13 1HG MET 13 1.914 1.994 14.345 111 1HE MET 13 1HE MET 13 -1.282 -1.132 15.464 112 2HE MET 13 2HE MET 13 -0.859 -0.813 13.781 113 3HE MET 13 3HE MET 13 -1.607 0.451 14.758 114 H ARG 14 H ARG 14 -1.396 4.550 12.024 115 HA ARG 14 HA ARG 14 -3.784 5.138 13.480 116 1HB ARG 14 2HB ARG 14 -1.790 6.620 12.194 117 2HB ARG 14 1HB ARG 14 -3.259 6.969 11.295 118 1HG ARG 14 2HG ARG 14 -4.159 8.154 12.974 119 2HG ARG 14 1HG ARG 14 -3.548 7.059 14.214 120 1HD ARG 14 2HD ARG 14 -1.234 8.128 13.446 121 2HD ARG 14 1HD ARG 14 -2.298 9.464 13.009 122 HE ARG 14 HE ARG 14 -3.026 8.805 15.559 123 1HH1 ARG 14 1HH1 ARG 14 -0.041 9.737 14.009 124 2HH1 ARG 14 2HH1 ARG 14 0.603 10.496 15.427 125 1HH2 ARG 14 1HH2 ARG 14 -2.181 9.802 17.424 126 2HH2 ARG 14 2HH2 ARG 14 -0.611 10.533 17.366 127 H LEU 15 H LEU 15 -3.043 4.092 10.230 128 HA LEU 15 HA LEU 15 -5.470 4.721 8.981 129 1HB LEU 15 2HB LEU 15 -3.140 3.633 8.157 130 2HB LEU 15 1HB LEU 15 -4.145 2.198 8.191 131 HG LEU 15 HG LEU 15 -5.298 4.553 6.819 132 1HD1 LEU 15 1HD1 LEU 15 -2.870 4.534 6.168 133 2HD1 LEU 15 2HD1 LEU 15 -4.013 4.331 4.840 134 3HD1 LEU 15 3HD1 LEU 15 -3.145 2.935 5.480 135 1HD2 LEU 15 1HD2 LEU 15 -6.321 2.948 5.483 136 2HD2 LEU 15 2HD2 LEU 15 -6.251 2.172 7.066 137 3HD2 LEU 15 3HD2 LEU 15 -5.082 1.738 5.817 138 H ARG 16 H ARG 16 -4.450 1.793 10.707 139 HA ARG 16 HA ARG 16 -6.950 0.457 10.327 140 1HB ARG 16 2HB ARG 16 -4.534 -0.473 10.889 141 2HB ARG 16 1HB ARG 16 -5.100 -0.296 12.544 142 1HG ARG 16 2HG ARG 16 -7.203 -1.576 11.389 143 2HG ARG 16 1HG ARG 16 -5.839 -2.250 10.494 144 1HD ARG 16 2HD ARG 16 -5.249 -3.515 12.224 145 2HD ARG 16 1HD ARG 16 -5.234 -2.123 13.305 146 HE ARG 16 HE ARG 16 -7.889 -2.975 12.804 147 1HH1 ARG 16 1HH1 ARG 16 -5.020 -3.827 14.599 148 2HH1 ARG 16 2HH1 ARG 16 -5.893 -4.651 15.846 149 1HH2 ARG 16 1HH2 ARG 16 -9.040 -4.060 14.443 150 2HH2 ARG 16 2HH2 ARG 16 -8.175 -4.785 15.758 151 H ARG 17 H ARG 17 -5.838 2.852 12.498 152 HA ARG 17 HA ARG 17 -7.217 2.311 14.838 153 1HB ARG 17 2HB ARG 17 -5.597 4.257 14.207 154 2HB ARG 17 1HB ARG 17 -7.071 5.107 13.766 155 1HG ARG 17 2HG ARG 17 -7.921 4.895 16.009 156 2HG ARG 17 1HG ARG 17 -6.537 3.905 16.474 157 1HD ARG 17 2HD ARG 17 -5.082 5.694 16.459 158 2HD ARG 17 1HD ARG 17 -6.077 6.628 15.342 159 HE ARG 17 HE ARG 17 -6.275 6.567 18.209 160 1HH1 ARG 17 1HH1 ARG 17 -7.990 7.198 15.236 161 2HH1 ARG 17 2HH1 ARG 17 -9.148 8.247 15.982 162 1HH2 ARG 17 1HH2 ARG 17 -7.797 7.947 19.191 163 2HH2 ARG 17 2HH2 ARG 17 -9.039 8.673 18.226 164 H CYS 18 H CYS 18 -8.420 3.432 11.767 165 HA CYS 18 HA CYS 18 -10.872 4.516 12.564 166 1HB CYS 18 2HB CYS 18 -9.718 3.464 10.063 167 2HB CYS 18 1HB CYS 18 -11.476 3.401 10.148 168 HG CYS 18 HG CYS 18 -10.898 6.136 10.866 169 H GLN 19 H GLN 19 -13.030 3.572 12.310 170 HA GLN 19 HA GLN 19 -13.062 0.816 13.318 171 1HB GLN 19 2HB GLN 19 -14.129 2.694 14.640 172 2HB GLN 19 1HB GLN 19 -15.333 2.802 13.363 173 1HG GLN 19 2HG GLN 19 -16.505 1.297 14.487 174 2HG GLN 19 1HG GLN 19 -15.286 0.113 14.016 175 1HE2 GLN 19 1HE2 GLN 19 -13.446 -0.148 15.475 176 2HE2 GLN 19 2HE2 GLN 19 -13.698 0.039 17.173 177 H THR 20 H THR 20 -14.208 2.852 10.723 178 HA THR 20 HA THR 20 -15.364 0.464 9.444 179 HB THR 20 HB THR 20 -17.104 2.092 10.216 180 HG1 THR 20 1HG THR 20 -18.177 2.118 8.187 181 1HG2 THR 20 1HG2 THR 20 -15.590 3.917 8.419 182 2HG2 THR 20 2HG2 THR 20 -16.354 4.239 9.976 183 3HG2 THR 20 3HG2 THR 20 -17.344 4.063 8.528 184 H ILE 21 H ILE 21 -15.067 0.242 7.231 185 HA ILE 21 HA ILE 21 -12.691 1.446 6.186 186 HB ILE 21 HB ILE 21 -14.711 -0.372 4.865 187 1HG1 ILE 21 2HG1 ILE 21 -13.588 -1.416 6.763 188 2HG1 ILE 21 1HG1 ILE 21 -13.010 -2.119 5.255 189 1HG2 ILE 21 1HG2 ILE 21 -12.984 -0.776 3.179 190 2HG2 ILE 21 2HG2 ILE 21 -11.955 0.434 3.946 191 3HG2 ILE 21 3HG2 ILE 21 -13.483 0.914 3.207 192 1HD1 ILE 21 1HD1 ILE 21 -11.006 -1.823 6.220 193 2HD1 ILE 21 2HD1 ILE 21 -11.584 -0.536 7.279 194 3HD1 ILE 21 3HD1 ILE 21 -11.182 -0.182 5.599 195 H ASP 22 H ASP 22 -16.133 1.894 5.734 196 HA ASP 22 HA ASP 22 -16.201 3.312 3.361 197 1HB ASP 22 2HB ASP 22 -17.903 3.515 5.841 198 2HB ASP 22 1HB ASP 22 -18.245 4.451 4.388 199 H THR 23 H THR 23 -15.832 4.636 6.657 200 HA THR 23 HA THR 23 -15.586 7.317 5.869 201 HB THR 23 HB THR 23 -15.123 5.745 8.315 202 HG1 THR 23 1HG THR 23 -16.734 6.953 8.821 203 1HG2 THR 23 1HG2 THR 23 -13.994 7.584 9.500 204 2HG2 THR 23 2HG2 THR 23 -13.672 8.348 7.943 205 3HG2 THR 23 3HG2 THR 23 -12.965 6.777 8.317 206 H LEU 24 H LEU 24 -13.185 4.767 6.349 207 HA LEU 24 HA LEU 24 -10.875 6.317 6.008 208 1HB LEU 24 2HB LEU 24 -11.540 3.541 6.195 209 2HB LEU 24 1HB LEU 24 -10.424 3.763 4.861 210 HG LEU 24 HG LEU 24 -9.981 4.560 7.731 211 1HD1 LEU 24 1HD1 LEU 24 -8.146 2.768 6.270 212 2HD1 LEU 24 2HD1 LEU 24 -9.725 2.109 6.695 213 3HD1 LEU 24 3HD1 LEU 24 -8.664 2.737 7.955 214 1HD2 LEU 24 1HD2 LEU 24 -8.991 5.895 5.549 215 2HD2 LEU 24 2HD2 LEU 24 -7.715 4.728 5.899 216 3HD2 LEU 24 3HD2 LEU 24 -8.250 5.852 7.148 217 H GLU 25 H GLU 25 -13.037 4.797 3.709 218 HA GLU 25 HA GLU 25 -11.503 5.081 1.388 219 1HB GLU 25 2HB GLU 25 -13.855 3.939 1.899 220 2HB GLU 25 1HB GLU 25 -14.447 5.440 1.200 221 1HG GLU 25 2HG GLU 25 -14.275 4.345 -0.738 222 2HG GLU 25 1HG GLU 25 -12.561 4.741 -0.611 223 H ARG 26 H ARG 26 -13.483 7.415 3.112 224 HA ARG 26 HA ARG 26 -13.426 9.352 0.981 225 1HB ARG 26 2HB ARG 26 -15.266 9.215 2.673 226 2HB ARG 26 1HB ARG 26 -14.125 9.759 3.894 227 1HG ARG 26 2HG ARG 26 -13.772 11.815 2.475 228 2HG ARG 26 1HG ARG 26 -15.158 11.282 1.521 229 1HD ARG 26 2HD ARG 26 -16.626 11.919 3.090 230 2HD ARG 26 1HD ARG 26 -15.644 11.267 4.401 231 HE ARG 26 HE ARG 26 -14.295 13.495 3.676 232 1HH1 ARG 26 1HH1 ARG 26 -17.630 12.898 4.517 233 2HH1 ARG 26 2HH1 ARG 26 -17.877 14.480 5.174 234 1HH2 ARG 26 1HH2 ARG 26 -14.619 15.577 4.541 235 2HH2 ARG 26 2HH2 ARG 26 -16.169 16.002 5.188 236 H VAL 27 H VAL 27 -11.444 8.425 3.609 237 HA VAL 27 HA VAL 27 -9.915 10.899 3.526 238 HB VAL 27 HB VAL 27 -8.618 9.030 5.224 239 1HG1 VAL 27 1HG1 VAL 27 -9.073 10.675 6.909 240 2HG1 VAL 27 2HG1 VAL 27 -10.404 11.338 5.959 241 3HG1 VAL 27 3HG1 VAL 27 -8.742 11.514 5.392 242 1HG2 VAL 27 1HG2 VAL 27 -10.309 8.413 6.788 243 2HG2 VAL 27 2HG2 VAL 27 -10.774 7.824 5.198 244 3HG2 VAL 27 3HG2 VAL 27 -11.547 9.258 5.859 245 H ILE 28 H ILE 28 -9.855 7.674 2.305 246 HA ILE 28 HA ILE 28 -7.074 7.435 1.840 247 HB ILE 28 HB ILE 28 -9.368 6.252 0.252 248 1HG1 ILE 28 2HG1 ILE 28 -9.666 5.080 2.172 249 2HG1 ILE 28 1HG1 ILE 28 -8.281 4.164 1.601 250 1HG2 ILE 28 1HG2 ILE 28 -6.449 5.501 0.274 251 2HG2 ILE 28 2HG2 ILE 28 -7.312 6.293 -1.044 252 3HG2 ILE 28 3HG2 ILE 28 -7.728 4.642 -0.585 253 1HD1 ILE 28 1HD1 ILE 28 -8.220 6.434 3.576 254 2HD1 ILE 28 2HD1 ILE 28 -6.810 5.562 2.977 255 3HD1 ILE 28 3HD1 ILE 28 -8.029 4.718 3.933 256 H GLU 29 H GLU 29 -9.769 8.608 -0.135 257 HA GLU 29 HA GLU 29 -8.082 9.453 -2.294 258 1HB GLU 29 2HB GLU 29 -10.976 9.555 -1.650 259 2HB GLU 29 1HB GLU 29 -10.378 10.788 -2.752 260 1HG GLU 29 2HG GLU 29 -9.654 9.177 -4.317 261 2HG GLU 29 1HG GLU 29 -9.862 7.859 -3.163 262 H LYS 30 H LYS 30 -9.474 10.968 0.555 263 HA LYS 30 HA LYS 30 -8.834 13.643 -0.263 264 1HB LYS 30 2HB LYS 30 -9.896 12.357 2.206 265 2HB LYS 30 1HB LYS 30 -9.192 13.961 2.349 266 1HG LYS 30 2HG LYS 30 -10.778 14.446 0.290 267 2HG LYS 30 1HG LYS 30 -11.672 13.090 0.977 268 1HD LYS 30 2HD LYS 30 -12.001 14.211 3.024 269 2HD LYS 30 1HD LYS 30 -10.781 15.428 2.643 270 1HE LYS 30 2HE LYS 30 -13.160 15.150 0.867 271 2HE LYS 30 1HE LYS 30 -13.343 15.965 2.419 272 1HZ LYS 30 1HZ LYS 30 -11.094 16.778 0.749 273 2HZ LYS 30 2HZ LYS 30 -12.082 17.707 1.760 274 3HZ LYS 30 3HZ LYS 30 -12.637 17.241 0.232 275 H ASN 31 H ASN 31 -7.422 11.347 2.053 276 HA ASN 31 HA ASN 31 -5.299 13.070 2.814 277 1HB ASN 31 2HB ASN 31 -5.978 11.353 4.343 278 2HB ASN 31 1HB ASN 31 -5.695 10.090 3.152 279 1HD2 ASN 31 1HD2 ASN 31 -4.301 12.168 5.507 280 2HD2 ASN 31 2HD2 ASN 31 -2.701 11.518 5.456 281 H LYS 32 H LYS 32 -5.645 10.591 0.340 282 HA LYS 32 HA LYS 32 -2.898 10.379 -0.306 283 1HB LYS 32 2HB LYS 32 -3.595 9.258 -2.311 284 2HB LYS 32 1HB LYS 32 -4.654 8.744 -1.009 285 1HG LYS 32 2HG LYS 32 -6.182 9.098 -2.654 286 2HG LYS 32 1HG LYS 32 -6.163 10.695 -1.907 287 1HD LYS 32 2HD LYS 32 -5.250 11.665 -3.720 288 2HD LYS 32 1HD LYS 32 -4.150 10.315 -4.004 289 1HE LYS 32 2HE LYS 32 -6.979 9.722 -4.512 290 2HE LYS 32 1HE LYS 32 -6.283 10.946 -5.573 291 1HZ LYS 32 1HZ LYS 32 -5.669 9.131 -6.733 292 2HZ LYS 32 2HZ LYS 32 -5.702 8.103 -5.390 293 3HZ LYS 32 3HZ LYS 32 -4.371 9.114 -5.647 294 H TYR 33 H TYR 33 -5.463 12.533 -1.367 295 HA TYR 33 HA TYR 33 -3.680 13.855 -3.257 296 1HB TYR 33 2HB TYR 33 -6.364 13.360 -3.337 297 2HB TYR 33 1HB TYR 33 -6.337 15.030 -2.781 298 HD1 TYR 33 1HD TYR 33 -4.930 12.825 -5.440 299 HD2 TYR 33 2HD TYR 33 -6.145 16.749 -4.334 300 HE1 TYR 33 1HE TYR 33 -4.577 13.580 -7.753 301 HE2 TYR 33 2HE TYR 33 -5.797 17.514 -6.645 302 HH TYR 33 HH TYR 33 -4.381 16.777 -8.635 303 H GLU 34 H GLU 34 -4.165 14.019 -0.013 304 HA GLU 34 HA GLU 34 -4.140 16.906 0.247 305 1HB GLU 34 2HB GLU 34 -5.379 15.554 1.873 306 2HB GLU 34 1HB GLU 34 -3.895 14.734 2.335 307 1HG GLU 34 2HG GLU 34 -2.983 16.799 3.199 308 2HG GLU 34 1HG GLU 34 -4.410 17.682 2.657 309 H LEU 35 H LEU 35 -2.025 14.407 1.670 310 HA LEU 35 HA LEU 35 0.126 16.149 2.092 311 1HB LEU 35 2HB LEU 35 1.404 14.290 2.697 312 2HB LEU 35 1HB LEU 35 -0.213 13.913 3.185 313 HG LEU 35 HG LEU 35 1.549 12.503 1.342 314 1HD1 LEU 35 1HD1 LEU 35 0.882 10.912 2.709 315 2HD1 LEU 35 2HD1 LEU 35 -0.734 11.010 2.022 316 3HD1 LEU 35 3HD1 LEU 35 -0.313 11.982 3.431 317 1HD2 LEU 35 1HD2 LEU 35 -0.542 11.633 0.077 318 2HD2 LEU 35 2HD2 LEU 35 0.287 13.079 -0.493 319 3HD2 LEU 35 3HD2 LEU 35 -1.201 13.225 0.440 320 H SER 36 H SER 36 2.297 14.627 1.064 321 HA SER 36 HA SER 36 2.141 15.330 -1.794 322 1HB SER 36 2HB SER 36 4.377 15.714 0.193 323 2HB SER 36 1HB SER 36 4.678 15.689 -1.545 324 HG SER 36 HG SER 36 4.339 17.806 -0.875 325 H ASP 37 H ASP 37 4.260 14.232 -2.863 326 HA ASP 37 HA ASP 37 3.706 11.483 -2.944 327 1HB ASP 37 2HB ASP 37 5.757 11.304 -4.306 328 2HB ASP 37 1HB ASP 37 4.748 12.652 -4.821 329 H ASN 38 H ASN 38 5.781 13.367 -0.904 330 HA ASN 38 HA ASN 38 7.471 11.232 -0.064 331 1HB ASN 38 2HB ASN 38 7.578 13.948 0.162 332 2HB ASN 38 1HB ASN 38 7.125 13.482 1.798 333 1HD2 ASN 38 1HD2 ASN 38 8.454 11.029 1.932 334 2HD2 ASN 38 2HD2 ASN 38 10.156 11.329 1.939 335 H GLU 39 H GLU 39 4.640 12.829 1.426 336 HA GLU 39 HA GLU 39 4.663 11.006 3.650 337 1HB GLU 39 2HB GLU 39 3.882 13.239 4.035 338 2HB GLU 39 1HB GLU 39 2.736 13.123 2.713 339 1HG GLU 39 2HG GLU 39 1.243 12.699 4.303 340 2HG GLU 39 1HG GLU 39 1.930 11.076 4.313 341 H LEU 40 H LEU 40 3.048 11.315 0.572 342 HA LEU 40 HA LEU 40 0.945 9.516 0.948 343 1HB LEU 40 2HB LEU 40 1.105 11.022 -0.952 344 2HB LEU 40 1HB LEU 40 2.491 10.144 -1.563 345 HG LEU 40 HG LEU 40 0.089 8.496 -1.153 346 1HD1 LEU 40 1HD1 LEU 40 -1.007 10.515 -1.900 347 2HD1 LEU 40 2HD1 LEU 40 -1.006 9.322 -3.199 348 3HD1 LEU 40 3HD1 LEU 40 0.131 10.671 -3.239 349 1HD2 LEU 40 1HD2 LEU 40 1.586 8.789 -3.713 350 2HD2 LEU 40 2HD2 LEU 40 0.887 7.349 -2.972 351 3HD2 LEU 40 3HD2 LEU 40 2.385 8.028 -2.337 352 H ALA 41 H ALA 41 4.330 8.980 0.148 353 HA ALA 41 HA ALA 41 4.191 6.316 -0.675 354 1HB ALA 41 1HB ALA 41 6.534 6.137 0.125 355 2HB ALA 41 2HB ALA 41 6.360 7.716 0.892 356 3HB ALA 41 3HB ALA 41 6.251 7.571 -0.862 357 H VAL 42 H VAL 42 4.126 7.794 2.485 358 HA VAL 42 HA VAL 42 4.249 5.326 3.946 359 HB VAL 42 HB VAL 42 3.308 8.024 4.932 360 1HG1 VAL 42 1HG1 VAL 42 3.077 5.652 6.186 361 2HG1 VAL 42 2HG1 VAL 42 3.328 7.182 7.027 362 3HG1 VAL 42 3HG1 VAL 42 4.697 6.119 6.703 363 1HG2 VAL 42 1HG2 VAL 42 5.576 8.091 3.897 364 2HG2 VAL 42 2HG2 VAL 42 6.098 6.892 5.079 365 3HG2 VAL 42 3HG2 VAL 42 5.557 8.483 5.616 366 H PHE 43 H PHE 43 1.757 7.399 2.599 367 HA PHE 43 HA PHE 43 -0.399 6.194 4.060 368 1HB PHE 43 2HB PHE 43 -0.366 8.525 3.010 369 2HB PHE 43 1HB PHE 43 -0.650 7.718 1.471 370 HD1 PHE 43 1HD PHE 43 -2.819 7.940 0.782 371 HD2 PHE 43 2HD PHE 43 -2.031 7.333 4.919 372 HE1 PHE 43 1HE PHE 43 -5.237 7.925 1.236 373 HE2 PHE 43 2HE PHE 43 -4.448 7.316 5.381 374 HZ PHE 43 HZ PHE 43 -6.054 7.612 3.538 375 H TYR 44 H TYR 44 0.812 5.921 0.730 376 HA TYR 44 HA TYR 44 -1.066 4.060 -0.184 377 1HB TYR 44 2HB TYR 44 0.878 5.430 -1.394 378 2HB TYR 44 1HB TYR 44 1.723 3.897 -1.210 379 HD1 TYR 44 1HD TYR 44 0.968 1.907 -2.401 380 HD2 TYR 44 2HD TYR 44 -1.023 5.637 -2.882 381 HE1 TYR 44 1HE TYR 44 -0.167 1.037 -4.401 382 HE2 TYR 44 2HE TYR 44 -2.164 4.777 -4.883 383 HH TYR 44 HH TYR 44 -1.505 2.789 -6.665 384 H SER 45 H SER 45 2.153 3.554 1.233 385 HA SER 45 HA SER 45 2.221 0.771 1.033 386 1HB SER 45 2HB SER 45 3.578 2.774 2.793 387 2HB SER 45 1HB SER 45 3.736 1.059 3.173 388 HG SER 45 HG SER 45 5.083 0.880 1.581 389 H ALA 46 H ALA 46 1.058 2.832 3.680 390 HA ALA 46 HA ALA 46 0.291 0.658 5.351 391 1HB ALA 46 1HB ALA 46 0.004 3.600 5.403 392 2HB ALA 46 2HB ALA 46 0.571 2.491 6.652 393 3HB ALA 46 3HB ALA 46 -1.157 2.670 6.351 394 H ALA 47 H ALA 47 -1.284 2.479 2.827 395 HA ALA 47 HA ALA 47 -3.933 1.563 3.461 396 1HB ALA 47 1HB ALA 47 -4.662 2.806 1.622 397 2HB ALA 47 2HB ALA 47 -3.098 2.699 0.813 398 3HB ALA 47 3HB ALA 47 -3.286 3.720 2.239 399 H ASP 48 H ASP 48 -1.412 0.671 1.150 400 HA ASP 48 HA ASP 48 -2.839 -1.116 -0.426 401 1HB ASP 48 2HB ASP 48 -0.140 -0.360 -0.110 402 2HB ASP 48 1HB ASP 48 -0.173 -2.115 0.031 403 H HIS 49 H HIS 49 -0.962 -1.798 2.527 404 HA HIS 49 HA HIS 49 -1.517 -4.543 2.637 405 1HB HIS 49 2HB HIS 49 -0.702 -2.502 4.685 406 2HB HIS 49 1HB HIS 49 -1.069 -4.152 5.168 407 HD1 HIS 49 1HD HIS 49 0.271 -5.385 2.502 408 HD2 HIS 49 2HD HIS 49 2.017 -2.782 5.230 409 HE1 HIS 49 1HE HIS 49 2.751 -5.723 2.261 410 HE2 HIS 49 2HE HIS 49 3.784 -4.196 3.979 411 H ARG 50 H ARG 50 -3.151 -1.786 4.175 412 HA ARG 50 HA ARG 50 -5.085 -3.263 5.569 413 1HB ARG 50 2HB ARG 50 -4.970 -0.435 4.566 414 2HB ARG 50 1HB ARG 50 -6.425 -1.050 5.337 415 1HG ARG 50 2HG ARG 50 -3.677 -0.874 6.552 416 2HG ARG 50 1HG ARG 50 -5.085 0.108 6.959 417 1HD ARG 50 2HD ARG 50 -5.304 -1.412 8.616 418 2HD ARG 50 1HD ARG 50 -6.117 -2.335 7.353 419 HE ARG 50 HE ARG 50 -4.368 -3.817 7.351 420 1HH1 ARG 50 1HH1 ARG 50 -3.423 -0.942 9.090 421 2HH1 ARG 50 2HH1 ARG 50 -1.947 -1.632 9.678 422 1HH2 ARG 50 1HH2 ARG 50 -2.427 -4.725 8.123 423 2HH2 ARG 50 2HH2 ARG 50 -1.382 -3.779 9.129 424 H LEU 51 H LEU 51 -5.045 -1.970 2.287 425 HA LEU 51 HA LEU 51 -7.743 -2.727 1.708 426 1HB LEU 51 2HB LEU 51 -5.774 -1.159 0.484 427 2HB LEU 51 1HB LEU 51 -6.061 -2.477 -0.634 428 HG LEU 51 HG LEU 51 -8.616 -1.657 0.093 429 1HD1 LEU 51 1HD1 LEU 51 -7.088 0.824 -0.603 430 2HD1 LEU 51 2HD1 LEU 51 -7.369 0.360 1.075 431 3HD1 LEU 51 3HD1 LEU 51 -8.736 0.665 0.004 432 1HD2 LEU 51 1HD2 LEU 51 -8.418 -2.213 -2.101 433 2HD2 LEU 51 2HD2 LEU 51 -6.854 -1.417 -2.279 434 3HD2 LEU 51 3HD2 LEU 51 -8.334 -0.459 -2.264 435 H ALA 52 H ALA 52 -4.611 -4.243 1.442 436 HA ALA 52 HA ALA 52 -5.315 -6.314 -0.347 437 1HB ALA 52 1HB ALA 52 -3.141 -6.734 -0.215 438 2HB ALA 52 2HB ALA 52 -3.288 -7.172 1.486 439 3HB ALA 52 3HB ALA 52 -3.008 -5.492 1.030 440 H GLU 53 H GLU 53 -5.089 -6.277 3.212 441 HA GLU 53 HA GLU 53 -5.966 -8.921 3.595 442 1HB GLU 53 2HB GLU 53 -6.652 -7.989 5.916 443 2HB GLU 53 1HB GLU 53 -4.951 -8.018 5.474 444 1HG GLU 53 2HG GLU 53 -4.779 -5.817 5.672 445 2HG GLU 53 1HG GLU 53 -6.206 -5.546 4.673 446 H LEU 54 H LEU 54 -7.699 -5.909 3.173 447 HA LEU 54 HA LEU 54 -10.241 -6.749 4.006 448 1HB LEU 54 2HB LEU 54 -9.111 -4.447 2.874 449 2HB LEU 54 1HB LEU 54 -10.372 -4.936 1.757 450 HG LEU 54 HG LEU 54 -11.987 -4.942 3.653 451 1HD1 LEU 54 1HD1 LEU 54 -10.107 -3.349 5.295 452 2HD1 LEU 54 2HD1 LEU 54 -9.898 -5.099 5.291 453 3HD1 LEU 54 3HD1 LEU 54 -11.439 -4.397 5.785 454 1HD2 LEU 54 1HD2 LEU 54 -12.370 -2.979 2.656 455 2HD2 LEU 54 2HD2 LEU 54 -10.651 -2.624 2.487 456 3HD2 LEU 54 3HD2 LEU 54 -11.479 -2.272 4.003 457 H THR 55 H THR 55 -8.637 -6.937 0.868 458 HA THR 55 HA THR 55 -10.919 -8.170 -0.396 459 HB THR 55 HB THR 55 -8.100 -7.843 -1.436 460 HG1 THR 55 1HG THR 55 -8.593 -5.839 -1.696 461 1HG2 THR 55 1HG2 THR 55 -9.513 -9.467 -2.679 462 2HG2 THR 55 2HG2 THR 55 -9.003 -8.068 -3.624 463 3HG2 THR 55 3HG2 THR 55 -10.649 -8.156 -2.997 464 H MET 56 H MET 56 -7.993 -9.219 1.171 465 HA MET 56 HA MET 56 -8.359 -11.950 0.181 466 1HB MET 56 2HB MET 56 -6.099 -10.560 0.423 467 2HB MET 56 1HB MET 56 -6.148 -11.254 2.036 468 1HG MET 56 2HG MET 56 -5.027 -12.929 1.046 469 2HG MET 56 1HG MET 56 -6.644 -13.454 0.589 470 1HE MET 56 1HE MET 56 -4.952 -10.234 -1.170 471 2HE MET 56 2HE MET 56 -3.773 -11.116 -2.139 472 3HE MET 56 3HE MET 56 -3.707 -11.201 -0.380 473 H ASN 57 H ASN 57 -9.873 -10.383 2.440 474 HA ASN 57 HA ASN 57 -10.947 -10.948 4.355 475 1HB ASN 57 2HB ASN 57 -10.210 -13.555 3.183 476 2HB ASN 57 1HB ASN 57 -10.589 -13.581 4.901 477 1HD2 ASN 57 1HD2 ASN 57 -11.806 -12.652 1.737 478 2HD2 ASN 57 2HD2 ASN 57 -13.481 -12.777 2.140 479 H LYS 58 H LYS 58 -9.284 -9.614 5.371 480 HA LYS 58 HA LYS 58 -7.724 -9.156 6.954 481 1HB LYS 58 2HB LYS 58 -9.094 -11.606 7.960 482 2HB LYS 58 1HB LYS 58 -7.718 -10.971 8.849 483 1HG LYS 58 2HG LYS 58 -9.685 -8.936 8.139 484 2HG LYS 58 1HG LYS 58 -10.316 -10.206 9.188 485 1HD LYS 58 2HD LYS 58 -9.420 -8.367 10.510 486 2HD LYS 58 1HD LYS 58 -8.462 -9.829 10.750 487 1HE LYS 58 2HE LYS 58 -6.701 -8.505 10.346 488 2HE LYS 58 1HE LYS 58 -7.170 -8.649 8.654 489 1HZ LYS 58 1HZ LYS 58 -6.804 -6.329 9.535 490 2HZ LYS 58 2HZ LYS 58 -8.240 -6.520 10.410 491 3HZ LYS 58 3HZ LYS 58 -8.263 -6.593 8.720 492 H LEU 59 H LEU 59 -6.737 -10.660 4.637 493 HA LEU 59 HA LEU 59 -4.466 -11.995 5.954 494 1HB LEU 59 2HB LEU 59 -5.841 -13.581 4.693 495 2HB LEU 59 1HB LEU 59 -5.647 -12.613 3.247 496 HG LEU 59 HG LEU 59 -4.205 -14.706 3.451 497 1HD1 LEU 59 1HD1 LEU 59 -3.719 -12.193 2.306 498 2HD1 LEU 59 2HD1 LEU 59 -3.012 -13.742 1.850 499 3HD1 LEU 59 3HD1 LEU 59 -2.191 -12.708 3.020 500 1HD2 LEU 59 1HD2 LEU 59 -2.782 -12.927 5.426 501 2HD2 LEU 59 2HD2 LEU 59 -2.099 -14.390 4.715 502 3HD2 LEU 59 3HD2 LEU 59 -3.523 -14.495 5.751 503 H TYR 60 H TYR 60 -2.647 -10.889 5.796 504 HA TYR 60 HA TYR 60 -2.071 -9.447 3.310 505 1HB TYR 60 2HB TYR 60 -1.506 -7.452 4.358 506 2HB TYR 60 1HB TYR 60 -2.914 -7.967 5.278 507 HD1 TYR 60 1HD TYR 60 -2.753 -8.414 7.605 508 HD2 TYR 60 2HD TYR 60 0.776 -7.787 5.315 509 HE1 TYR 60 1HE TYR 60 -1.440 -8.270 9.680 510 HE2 TYR 60 2HE TYR 60 2.100 -7.641 7.384 511 HH TYR 60 HH TYR 60 1.193 -6.951 10.104 512 H ASP 61 H ASP 61 0.231 -8.936 3.039 513 HA ASP 61 HA ASP 61 2.499 -9.287 3.332 514 1HB ASP 61 2HB ASP 61 1.750 -10.098 5.768 515 2HB ASP 61 1HB ASP 61 2.179 -11.666 5.089 516 H LYS 62 H LYS 62 0.136 -11.736 2.723 517 HA LYS 62 HA LYS 62 2.059 -13.122 0.973 518 1HB LYS 62 2HB LYS 62 1.073 -14.403 2.973 519 2HB LYS 62 1HB LYS 62 -0.439 -14.387 2.078 520 1HG LYS 62 2HG LYS 62 0.851 -15.448 0.168 521 2HG LYS 62 1HG LYS 62 2.147 -15.713 1.337 522 1HD LYS 62 2HD LYS 62 0.041 -16.679 2.720 523 2HD LYS 62 1HD LYS 62 -0.473 -17.041 1.071 524 1HE LYS 62 2HE LYS 62 2.326 -17.700 1.690 525 2HE LYS 62 1HE LYS 62 1.122 -18.641 2.569 526 1HZ LYS 62 1HZ LYS 62 1.409 -18.390 -0.373 527 2HZ LYS 62 2HZ LYS 62 0.077 -19.115 0.375 528 3HZ LYS 62 3HZ LYS 62 1.619 -19.783 0.566 529 H ILE 63 H ILE 63 0.278 -10.782 0.461 530 HA ILE 63 HA ILE 63 -1.911 -11.596 -1.136 531 HB ILE 63 HB ILE 63 -0.372 -9.005 -1.322 532 1HG1 ILE 63 2HG1 ILE 63 -2.796 -8.690 0.117 533 2HG1 ILE 63 1HG1 ILE 63 -1.960 -10.071 0.820 534 1HG2 ILE 63 1HG2 ILE 63 -1.934 -8.257 -2.735 535 2HG2 ILE 63 2HG2 ILE 63 -3.249 -8.974 -1.806 536 3HG2 ILE 63 3HG2 ILE 63 -2.352 -9.953 -2.967 537 1HD1 ILE 63 1HD1 ILE 63 0.070 -8.617 1.009 538 2HD1 ILE 63 2HD1 ILE 63 -1.293 -8.147 2.024 539 3HD1 ILE 63 3HD1 ILE 63 -0.948 -7.258 0.539 540 HA PRO 64 HA PRO 64 0.648 -13.116 -4.546 541 1HB PRO 64 2HB PRO 64 -2.022 -13.396 -5.805 542 2HB PRO 64 1HB PRO 64 -0.744 -14.598 -5.597 543 1HG PRO 64 2HG PRO 64 -2.961 -14.688 -4.117 544 2HG PRO 64 1HG PRO 64 -1.379 -15.091 -3.423 545 1HD PRO 64 2HD PRO 64 -2.985 -12.578 -3.155 546 2HD PRO 64 1HD PRO 64 -2.033 -13.447 -1.927 547 H SER 65 H SER 65 -0.366 -12.795 -7.168 548 HA SER 65 HA SER 65 -0.050 -9.893 -7.468 549 1HB SER 65 2HB SER 65 0.371 -12.130 -9.465 550 2HB SER 65 1HB SER 65 0.611 -10.415 -9.801 551 HG SER 65 HG SER 65 2.543 -10.711 -9.053 552 H SER 66 H SER 66 -1.965 -12.619 -8.695 553 HA SER 66 HA SER 66 -3.676 -11.192 -10.368 554 1HB SER 66 2HB SER 66 -3.839 -13.806 -8.936 555 2HB SER 66 1HB SER 66 -5.310 -13.159 -9.661 556 HG SER 66 HG SER 66 -3.840 -14.564 -10.986 557 H VAL 67 H VAL 67 -3.990 -11.939 -6.915 558 HA VAL 67 HA VAL 67 -6.552 -10.955 -6.487 559 HB VAL 67 HB VAL 67 -4.270 -10.724 -4.526 560 1HG1 VAL 67 1HG1 VAL 67 -5.789 -10.133 -3.011 561 2HG1 VAL 67 2HG1 VAL 67 -6.862 -11.453 -3.474 562 3HG1 VAL 67 3HG1 VAL 67 -6.925 -9.919 -4.342 563 1HG2 VAL 67 1HG2 VAL 67 -4.092 -12.946 -4.754 564 2HG2 VAL 67 2HG2 VAL 67 -5.611 -13.070 -5.642 565 3HG2 VAL 67 3HG2 VAL 67 -5.621 -13.016 -3.880 566 H TRP 68 H TRP 68 -3.502 -9.201 -5.840 567 HA TRP 68 HA TRP 68 -4.670 -6.722 -5.321 568 1HB TRP 68 2HB TRP 68 -2.041 -7.762 -5.582 569 2HB TRP 68 1HB TRP 68 -2.133 -6.331 -6.602 570 HD1 TRP 68 HD TRP 68 -0.555 -6.723 -3.705 571 HE1 TRP 68 1HE TRP 68 -0.948 -4.910 -1.925 572 HE3 TRP 68 3HE TRP 68 -4.924 -4.752 -5.490 573 HZ2 TRP 68 2HZ TRP 68 -2.853 -2.911 -1.350 574 HZ3 TRP 68 3HZ TRP 68 -5.964 -2.891 -4.266 575 HH2 TRP 68 HH TRP 68 -4.949 -1.992 -2.237 576 H LYS 69 H LYS 69 -3.900 -8.302 -8.330 577 HA LYS 69 HA LYS 69 -4.152 -5.992 -9.986 578 1HB LYS 69 2HB LYS 69 -3.145 -8.456 -10.398 579 2HB LYS 69 1HB LYS 69 -4.726 -8.661 -11.139 580 1HG LYS 69 2HG LYS 69 -4.300 -6.773 -12.609 581 2HG LYS 69 1HG LYS 69 -2.732 -6.517 -11.842 582 1HD LYS 69 2HD LYS 69 -2.676 -9.185 -12.558 583 2HD LYS 69 1HD LYS 69 -3.516 -8.415 -13.906 584 1HE LYS 69 2HE LYS 69 -1.702 -7.085 -14.446 585 2HE LYS 69 1HE LYS 69 -1.004 -7.206 -12.831 586 1HZ LYS 69 1HZ LYS 69 -0.843 -9.725 -13.532 587 2HZ LYS 69 2HZ LYS 69 0.361 -8.613 -13.946 588 3HZ LYS 69 3HZ LYS 69 -0.808 -9.055 -15.085 589 H PHE 70 H PHE 70 -6.376 -8.307 -8.647 590 HA PHE 70 HA PHE 70 -8.545 -7.789 -10.412 591 1HB PHE 70 2HB PHE 70 -8.086 -9.713 -8.604 592 2HB PHE 70 1HB PHE 70 -9.094 -8.656 -7.622 593 HD1 PHE 70 1HD PHE 70 -9.123 -11.350 -9.826 594 HD2 PHE 70 2HD PHE 70 -11.285 -7.811 -8.867 595 HE1 PHE 70 1HE PHE 70 -11.134 -12.298 -10.880 596 HE2 PHE 70 2HE PHE 70 -13.300 -8.754 -9.920 597 HZ PHE 70 HZ PHE 70 -13.226 -10.999 -10.927 598 H ILE 71 H ILE 71 -7.797 -6.653 -7.119 599 HA ILE 71 HA ILE 71 -9.967 -4.720 -7.262 600 HB ILE 71 HB ILE 71 -9.608 -5.929 -5.158 601 1HG1 ILE 71 2HG1 ILE 71 -8.891 -3.031 -4.729 602 2HG1 ILE 71 1HG1 ILE 71 -10.487 -3.533 -5.277 603 1HG2 ILE 71 1HG2 ILE 71 -7.220 -4.432 -4.373 604 2HG2 ILE 71 2HG2 ILE 71 -6.946 -5.624 -5.643 605 3HG2 ILE 71 3HG2 ILE 71 -7.645 -6.123 -4.102 606 1HD1 ILE 71 1HD1 ILE 71 -9.152 -4.187 -2.668 607 2HD1 ILE 71 2HD1 ILE 71 -10.639 -4.955 -3.224 608 3HD1 ILE 71 3HD1 ILE 71 -10.599 -3.215 -2.934 609 H ARG 72 H ARG 72 -9.566 -2.948 -8.419 610 HA ARG 72 HA ARG 72 -6.954 -1.871 -8.799 611 1HB ARG 72 2HB ARG 72 -9.725 -0.942 -9.504 612 2HB ARG 72 1HB ARG 72 -8.329 0.094 -9.769 613 1HG ARG 72 2HG ARG 72 -7.458 -1.270 -11.412 614 2HG ARG 72 1HG ARG 72 -8.335 -2.691 -10.841 615 1HD ARG 72 2HD ARG 72 -9.593 -2.200 -12.674 616 2HD ARG 72 1HD ARG 72 -10.429 -1.202 -11.486 617 HE ARG 72 HE ARG 72 -8.769 -0.292 -13.682 618 1HH1 ARG 72 1HH1 ARG 72 -10.384 0.541 -10.698 619 2HH1 ARG 72 2HH1 ARG 72 -10.403 2.238 -11.040 620 1HH2 ARG 72 1HH2 ARG 72 -8.795 1.938 -14.127 621 2HH2 ARG 72 2HH2 ARG 72 -9.502 3.031 -12.984
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