NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5842 | 1i18 | 4954 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -13.857 -0.477 -29.959 2 2H MET 1 2HT MET 1 -13.329 0.371 -28.584 3 3H MET 1 3HT MET 1 -14.978 0.015 -28.786 4 HA MET 1 HA MET 1 -14.776 -2.060 -27.973 5 1HB MET 1 2HB MET 1 -12.347 -1.937 -29.742 6 2HB MET 1 1HB MET 1 -12.548 -3.299 -28.637 7 1HG MET 1 2HG MET 1 -14.590 -3.960 -29.645 8 2HG MET 1 1HG MET 1 -14.768 -2.419 -30.484 9 1HE MET 1 1HE MET 1 -15.196 -3.173 -32.695 10 2HE MET 1 2HE MET 1 -15.262 -4.864 -32.203 11 3HE MET 1 3HE MET 1 -14.318 -4.401 -33.616 12 H PHE 2 HN PHE 2 -13.648 -3.090 -26.119 13 HA PHE 2 HA PHE 2 -11.292 -2.033 -24.906 14 1HB PHE 2 2HB PHE 2 -12.275 -0.570 -23.255 15 2HB PHE 2 1HB PHE 2 -12.884 -0.046 -24.818 16 HD1 PHE 2 HD1 PHE 2 -13.732 -2.277 -21.927 17 HD2 PHE 2 HD2 PHE 2 -15.212 0.128 -25.174 18 HE1 PHE 2 HE1 PHE 2 -16.054 -2.616 -21.123 19 HE2 PHE 2 HE2 PHE 2 -17.526 -0.215 -24.364 20 HZ PHE 2 HZ PHE 2 -17.952 -1.590 -22.344 21 H THR 3 HN THR 3 -10.762 -3.440 -23.209 22 HA THR 3 HA THR 3 -12.931 -5.336 -22.378 23 HB THR 3 HB THR 3 -11.344 -7.112 -22.671 24 HG1 THR 3 HG1 THR 3 -9.126 -6.406 -23.294 25 1HG2 THR 3 1HG2 THR 3 -10.260 -5.728 -24.969 26 2HG2 THR 3 2HG2 THR 3 -11.972 -5.334 -24.782 27 3HG2 THR 3 3HG2 THR 3 -11.456 -7.020 -24.916 28 H GLY 4 HN GLY 4 -9.939 -3.656 -21.470 29 1HA GLY 4 2HA GLY 4 -9.061 -3.169 -19.347 30 2HA GLY 4 1HA GLY 4 -10.722 -3.308 -18.763 31 H ILE 5 HN ILE 5 -9.537 -6.061 -20.419 32 HA ILE 5 HA ILE 5 -9.742 -7.610 -17.916 33 HB ILE 5 HB ILE 5 -9.116 -8.553 -20.729 34 1HG1 ILE 5 2HG1 ILE 5 -11.032 -7.080 -20.874 35 2HG1 ILE 5 1HG1 ILE 5 -11.606 -8.737 -20.979 36 1HG2 ILE 5 1HG2 ILE 5 -10.759 -10.387 -19.750 37 2HG2 ILE 5 2HG2 ILE 5 -10.167 -9.771 -18.206 38 3HG2 ILE 5 3HG2 ILE 5 -9.034 -10.437 -19.384 39 1HD1 ILE 5 1HD1 ILE 5 -11.507 -7.193 -18.379 40 2HD1 ILE 5 2HD1 ILE 5 -12.340 -8.714 -18.699 41 3HD1 ILE 5 3HD1 ILE 5 -12.929 -7.217 -19.423 42 H VAL 6 HN VAL 6 -8.012 -8.450 -16.810 43 HA VAL 6 HA VAL 6 -5.342 -7.537 -17.713 44 HB VAL 6 HB VAL 6 -6.784 -8.102 -15.156 45 1HG1 VAL 6 1HG1 VAL 6 -4.716 -9.457 -14.938 46 2HG1 VAL 6 2HG1 VAL 6 -4.685 -8.054 -13.871 47 3HG1 VAL 6 3HG1 VAL 6 -3.756 -8.043 -15.369 48 1HG2 VAL 6 1HG2 VAL 6 -6.499 -5.876 -14.901 49 2HG2 VAL 6 2HG2 VAL 6 -5.958 -5.862 -16.579 50 3HG2 VAL 6 3HG2 VAL 6 -4.778 -5.984 -15.274 51 H GLN 7 HN GLN 7 -3.613 -8.878 -18.011 52 HA GLN 7 HA GLN 7 -3.897 -11.687 -18.501 53 1HB GLN 7 2HB GLN 7 -1.558 -9.855 -17.908 54 2HB GLN 7 1HB GLN 7 -1.357 -11.540 -18.386 55 1HG GLN 7 2HG GLN 7 -2.481 -11.144 -20.493 56 2HG GLN 7 1HG GLN 7 -2.911 -9.504 -20.005 57 1HE2 GLN 7 1HE2 GLN 7 -1.256 -10.238 -22.349 58 2HE2 GLN 7 2HE2 GLN 7 0.264 -9.523 -22.105 59 H GLY 8 HN GLY 8 -2.790 -9.851 -15.616 60 1HA GLY 8 2HA GLY 8 -3.411 -12.094 -13.852 61 2HA GLY 8 1HA GLY 8 -1.681 -11.948 -14.155 62 H THR 9 HN THR 9 -2.056 -11.592 -11.630 63 HA THR 9 HA THR 9 -2.557 -8.674 -11.160 64 HB THR 9 HB THR 9 -3.099 -9.545 -8.821 65 HG1 THR 9 HG1 THR 9 -2.094 -11.521 -8.915 66 1HG2 THR 9 1HG2 THR 9 -5.318 -10.373 -9.510 67 2HG2 THR 9 2HG2 THR 9 -4.723 -10.601 -11.154 68 3HG2 THR 9 3HG2 THR 9 -4.839 -8.976 -10.474 69 H ALA 10 HN ALA 10 -1.382 -7.847 -9.177 70 HA ALA 10 HA ALA 10 1.363 -9.024 -8.857 71 1HB ALA 10 1HB ALA 10 2.078 -7.270 -10.105 72 2HB ALA 10 2HB ALA 10 1.602 -6.239 -8.757 73 3HB ALA 10 3HB ALA 10 0.479 -6.521 -10.091 74 H LYS 11 HN LYS 11 2.241 -8.678 -6.781 75 HA LYS 11 HA LYS 11 0.260 -7.754 -4.742 76 1HB LYS 11 2HB LYS 11 1.177 -10.038 -4.598 77 2HB LYS 11 1HB LYS 11 2.807 -9.376 -4.551 78 1HG LYS 11 2HG LYS 11 2.334 -8.214 -2.467 79 2HG LYS 11 1HG LYS 11 0.654 -8.745 -2.522 80 1HD LYS 11 2HD LYS 11 1.157 -10.838 -1.789 81 2HD LYS 11 1HD LYS 11 2.646 -10.916 -2.735 82 1HE LYS 11 2HE LYS 11 3.780 -9.450 -1.091 83 2HE LYS 11 1HE LYS 11 2.285 -9.374 -0.137 84 1HZ LYS 11 1HZ LYS 11 3.286 -12.006 -0.950 85 2HZ LYS 11 2HZ LYS 11 2.412 -11.567 0.438 86 3HZ LYS 11 3HZ LYS 11 4.072 -11.222 0.332 87 H LEU 12 HN LEU 12 0.593 -5.650 -4.114 88 HA LEU 12 HA LEU 12 3.043 -4.166 -4.372 89 1HB LEU 12 2HB LEU 12 0.538 -3.486 -3.871 90 2HB LEU 12 1HB LEU 12 0.997 -3.760 -2.205 91 HG LEU 12 HG LEU 12 2.752 -2.102 -2.341 92 1HD1 LEU 12 1HD1 LEU 12 3.668 -2.363 -4.500 93 2HD1 LEU 12 2HD1 LEU 12 2.877 -0.790 -4.585 94 3HD1 LEU 12 3HD1 LEU 12 2.095 -2.210 -5.283 95 1HD2 LEU 12 1HD2 LEU 12 1.176 -0.525 -1.987 96 2HD2 LEU 12 2HD2 LEU 12 -0.014 -1.536 -2.809 97 3HD2 LEU 12 3HD2 LEU 12 0.938 -0.372 -3.728 98 H VAL 13 HN VAL 13 4.853 -4.421 -3.191 99 HA VAL 13 HA VAL 13 4.632 -5.773 -0.529 100 HB VAL 13 HB VAL 13 5.535 -7.356 -2.009 101 1HG1 VAL 13 1HG1 VAL 13 7.744 -6.302 -3.298 102 2HG1 VAL 13 2HG1 VAL 13 6.539 -5.023 -3.425 103 3HG1 VAL 13 3HG1 VAL 13 6.176 -6.641 -4.034 104 1HG2 VAL 13 1HG2 VAL 13 6.911 -7.154 -0.008 105 2HG2 VAL 13 2HG2 VAL 13 7.854 -5.868 -0.761 106 3HG2 VAL 13 3HG2 VAL 13 7.948 -7.514 -1.388 107 H SER 14 HN SER 14 6.177 -3.343 -2.531 108 HA SER 14 HA SER 14 7.217 -2.060 -0.024 109 1HB SER 14 2HB SER 14 8.764 -3.683 -1.569 110 2HB SER 14 1HB SER 14 9.073 -2.124 -2.324 111 HG SER 14 HG SER 14 9.462 -2.910 0.367 112 H ILE 15 HN ILE 15 7.247 0.183 -0.134 113 HA ILE 15 HA ILE 15 6.609 1.443 -2.788 114 HB ILE 15 HB ILE 15 6.274 2.609 -0.008 115 1HG1 ILE 15 2HG1 ILE 15 4.317 1.160 -1.806 116 2HG1 ILE 15 1HG1 ILE 15 4.832 0.702 -0.191 117 1HG2 ILE 15 1HG2 ILE 15 5.914 3.561 -2.770 118 2HG2 ILE 15 2HG2 ILE 15 6.092 4.483 -1.278 119 3HG2 ILE 15 3HG2 ILE 15 4.511 3.846 -1.739 120 1HD1 ILE 15 1HD1 ILE 15 3.169 1.928 0.692 121 2HD1 ILE 15 2HD1 ILE 15 2.663 2.410 -0.927 122 3HD1 ILE 15 3HD1 ILE 15 3.853 3.375 -0.051 123 H ASP 16 HN ASP 16 8.208 2.680 -3.639 124 HA ASP 16 HA ASP 16 10.482 3.502 -1.882 125 1HB ASP 16 2HB ASP 16 10.159 2.852 -4.806 126 2HB ASP 16 1HB ASP 16 11.538 3.802 -4.251 127 H GLU 17 HN GLU 17 10.229 5.625 -1.258 128 HA GLU 17 HA GLU 17 8.694 7.449 -3.050 129 1HB GLU 17 2HB GLU 17 9.521 7.559 -0.132 130 2HB GLU 17 1HB GLU 17 8.550 8.793 -0.938 131 1HG GLU 17 2HG GLU 17 6.837 7.100 -1.475 132 2HG GLU 17 1HG GLU 17 7.804 5.865 -0.667 133 H LYS 18 HN LYS 18 9.986 8.661 -4.394 134 HA LYS 18 HA LYS 18 12.550 9.742 -3.273 135 1HB LYS 18 2HB LYS 18 11.851 9.616 -6.205 136 2HB LYS 18 1HB LYS 18 13.442 9.604 -5.451 137 1HG LYS 18 2HG LYS 18 12.302 7.333 -4.396 138 2HG LYS 18 1HG LYS 18 11.624 7.361 -6.026 139 1HD LYS 18 2HD LYS 18 14.313 8.047 -6.376 140 2HD LYS 18 1HD LYS 18 14.340 6.756 -5.174 141 1HE LYS 18 2HE LYS 18 12.719 6.530 -7.723 142 2HE LYS 18 1HE LYS 18 14.403 5.979 -7.615 143 1HZ LYS 18 1HZ LYS 18 12.848 4.203 -7.025 144 2HZ LYS 18 2HZ LYS 18 12.207 5.168 -5.782 145 3HZ LYS 18 3HZ LYS 18 13.818 4.636 -5.702 146 HA PRO 19 HA PRO 19 10.376 13.602 -3.155 147 1HB PRO 19 2HB PRO 19 12.722 15.146 -3.449 148 2HB PRO 19 1HB PRO 19 11.986 14.635 -1.920 149 1HG PRO 19 2HG PRO 19 14.270 13.468 -3.401 150 2HG PRO 19 1HG PRO 19 13.968 13.539 -1.658 151 1HD PRO 19 2HD PRO 19 13.677 11.264 -3.061 152 2HD PRO 19 1HD PRO 19 12.626 11.659 -1.679 153 H ASN 20 HN ASN 20 12.439 12.511 -5.722 154 HA ASN 20 HA ASN 20 11.657 14.743 -7.527 155 1HB ASN 20 2HB ASN 20 13.119 12.292 -8.447 156 2HB ASN 20 1HB ASN 20 13.390 13.976 -8.883 157 1HD2 ASN 20 1HD2 ASN 20 13.450 14.856 -6.018 158 2HD2 ASN 20 2HD2 ASN 20 14.921 14.297 -5.394 159 H PHE 21 HN PHE 21 11.069 11.344 -6.922 160 HA PHE 21 HA PHE 21 8.589 11.443 -8.523 161 1HB PHE 21 2HB PHE 21 10.902 9.584 -9.171 162 2HB PHE 21 1HB PHE 21 9.325 9.569 -9.961 163 HD1 PHE 21 HD1 PHE 21 8.537 11.740 -11.113 164 HD2 PHE 21 HD2 PHE 21 12.608 11.022 -9.933 165 HE1 PHE 21 HE1 PHE 21 9.302 13.507 -12.678 166 HE2 PHE 21 HE2 PHE 21 13.373 12.790 -11.499 167 HZ PHE 21 HZ PHE 21 11.721 14.032 -12.872 168 H ARG 22 HN ARG 22 7.155 9.714 -7.939 169 HA ARG 22 HA ARG 22 7.900 8.262 -5.458 170 1HB ARG 22 2HB ARG 22 5.722 9.505 -5.771 171 2HB ARG 22 1HB ARG 22 5.292 8.311 -6.997 172 1HG ARG 22 2HG ARG 22 5.388 6.515 -5.390 173 2HG ARG 22 1HG ARG 22 6.057 7.587 -4.159 174 1HD ARG 22 2HD ARG 22 3.977 8.883 -4.102 175 2HD ARG 22 1HD ARG 22 3.298 7.884 -5.403 176 HE ARG 22 HE ARG 22 4.060 6.002 -3.559 177 1HH1 ARG 22 1HH1 ARG 22 2.247 8.940 -3.384 178 2HH1 ARG 22 2HH1 ARG 22 1.257 8.399 -2.072 179 1HH2 ARG 22 1HH2 ARG 22 2.772 5.291 -1.848 180 2HH2 ARG 22 2HH2 ARG 22 1.552 6.338 -1.204 181 H THR 23 HN THR 23 8.039 6.020 -5.402 182 HA THR 23 HA THR 23 7.919 4.576 -8.022 183 HB THR 23 HB THR 23 9.928 4.422 -5.751 184 HG1 THR 23 HG1 THR 23 11.214 5.010 -7.809 185 1HG2 THR 23 1HG2 THR 23 9.544 2.796 -8.259 186 2HG2 THR 23 2HG2 THR 23 9.832 2.233 -6.612 187 3HG2 THR 23 3HG2 THR 23 11.141 2.974 -7.532 188 H HIS 24 HN HIS 24 6.872 2.576 -7.911 189 HA HIS 24 HA HIS 24 6.235 1.533 -5.177 190 1HB HIS 24 2HB HIS 24 4.533 2.480 -7.345 191 2HB HIS 24 1HB HIS 24 4.114 0.842 -6.835 192 HD1 HIS 24 HD1 HIS 24 2.986 4.017 -6.084 193 HD2 HIS 24 HD2 HIS 24 4.539 1.018 -3.647 194 HE1 HIS 24 HE1 HIS 24 2.237 4.546 -3.719 195 H VAL 25 HN VAL 25 6.541 -0.668 -4.939 196 HA VAL 25 HA VAL 25 7.302 -2.179 -7.406 197 HB VAL 25 HB VAL 25 8.192 -2.626 -4.556 198 1HG1 VAL 25 1HG1 VAL 25 9.950 -3.377 -6.782 199 2HG1 VAL 25 2HG1 VAL 25 8.410 -4.238 -6.782 200 3HG1 VAL 25 3HG1 VAL 25 9.463 -4.314 -5.369 201 1HG2 VAL 25 1HG2 VAL 25 8.808 -0.433 -6.205 202 2HG2 VAL 25 2HG2 VAL 25 10.210 -1.500 -6.299 203 3HG2 VAL 25 3HG2 VAL 25 9.648 -0.916 -4.733 204 H VAL 26 HN VAL 26 6.258 -4.041 -7.794 205 HA VAL 26 HA VAL 26 4.408 -5.121 -5.698 206 HB VAL 26 HB VAL 26 3.010 -5.804 -7.590 207 1HG1 VAL 26 1HG1 VAL 26 2.141 -3.720 -7.913 208 2HG1 VAL 26 2HG1 VAL 26 3.674 -3.064 -8.486 209 3HG1 VAL 26 3HG1 VAL 26 3.378 -3.233 -6.755 210 1HG2 VAL 26 1HG2 VAL 26 4.297 -6.375 -9.406 211 2HG2 VAL 26 2HG2 VAL 26 5.478 -5.101 -9.103 212 3HG2 VAL 26 3HG2 VAL 26 3.942 -4.713 -9.876 213 H GLU 27 HN GLU 27 4.004 -7.558 -6.100 214 HA GLU 27 HA GLU 27 6.596 -8.916 -6.683 215 1HB GLU 27 2HB GLU 27 5.065 -8.880 -4.455 216 2HB GLU 27 1HB GLU 27 4.281 -10.187 -5.330 217 1HG GLU 27 2HG GLU 27 6.199 -11.534 -5.319 218 2HG GLU 27 1HG GLU 27 7.268 -10.164 -5.017 219 H LEU 28 HN LEU 28 6.563 -9.816 -8.699 220 HA LEU 28 HA LEU 28 4.090 -10.099 -10.163 221 1HB LEU 28 2HB LEU 28 6.621 -9.489 -10.752 222 2HB LEU 28 1HB LEU 28 6.707 -11.218 -11.069 223 HG LEU 28 HG LEU 28 4.887 -11.069 -12.679 224 1HD1 LEU 28 1HD1 LEU 28 4.673 -8.283 -11.558 225 2HD1 LEU 28 2HD1 LEU 28 3.394 -9.459 -11.852 226 3HD1 LEU 28 3HD1 LEU 28 4.133 -8.608 -13.205 227 1HD2 LEU 28 1HD2 LEU 28 6.870 -8.804 -13.078 228 2HD2 LEU 28 2HD2 LEU 28 5.929 -9.582 -14.348 229 3HD2 LEU 28 3HD2 LEU 28 7.160 -10.494 -13.482 230 HA PRO 29 HA PRO 29 3.327 -14.284 -8.861 231 1HB PRO 29 2HB PRO 29 1.330 -14.800 -10.666 232 2HB PRO 29 1HB PRO 29 1.087 -13.887 -9.166 233 1HG PRO 29 2HG PRO 29 1.433 -12.896 -11.948 234 2HG PRO 29 1HG PRO 29 0.383 -12.293 -10.656 235 1HD PRO 29 2HD PRO 29 2.717 -11.102 -11.351 236 2HD PRO 29 1HD PRO 29 2.055 -11.045 -9.703 237 H ASP 30 HN ASP 30 3.029 -16.464 -10.133 238 HA ASP 30 HA ASP 30 5.436 -16.975 -11.494 239 1HB ASP 30 2HB ASP 30 2.781 -18.425 -11.378 240 2HB ASP 30 1HB ASP 30 4.234 -19.144 -12.074 241 H HIS 31 HN HIS 31 2.192 -16.374 -12.890 242 HA HIS 31 HA HIS 31 3.239 -16.895 -15.585 243 1HB HIS 31 2HB HIS 31 0.899 -16.655 -16.228 244 2HB HIS 31 1HB HIS 31 1.003 -17.643 -14.776 245 HD1 HIS 31 HD1 HIS 31 1.613 -14.631 -13.257 246 HD2 HIS 31 HD2 HIS 31 -1.795 -16.096 -15.154 247 HE1 HIS 31 HE1 HIS 31 -0.346 -13.296 -12.355 248 H MET 32 HN MET 32 3.420 -14.240 -13.624 249 HA MET 32 HA MET 32 3.441 -12.411 -16.006 250 1HB MET 32 2HB MET 32 3.027 -11.864 -13.050 251 2HB MET 32 1HB MET 32 3.242 -10.596 -14.257 252 1HG MET 32 2HG MET 32 1.054 -12.694 -14.281 253 2HG MET 32 1HG MET 32 0.846 -11.002 -13.828 254 1HE MET 32 1HE MET 32 2.569 -9.320 -15.929 255 2HE MET 32 2HE MET 32 1.001 -9.095 -15.159 256 3HE MET 32 3HE MET 32 1.141 -8.966 -16.910 257 H LEU 33 HN LEU 33 5.314 -14.103 -13.734 258 HA LEU 33 HA LEU 33 7.579 -12.299 -13.499 259 1HB LEU 33 2HB LEU 33 7.007 -15.220 -13.062 260 2HB LEU 33 1HB LEU 33 8.665 -14.626 -12.962 261 HG LEU 33 HG LEU 33 6.429 -13.281 -11.441 262 1HD1 LEU 33 1HD1 LEU 33 7.402 -15.941 -11.034 263 2HD1 LEU 33 2HD1 LEU 33 6.283 -15.023 -10.024 264 3HD1 LEU 33 3HD1 LEU 33 8.020 -14.925 -9.730 265 1HD2 LEU 33 1HD2 LEU 33 9.348 -13.524 -10.722 266 2HD2 LEU 33 2HD2 LEU 33 8.184 -12.307 -10.198 267 3HD2 LEU 33 3HD2 LEU 33 8.792 -12.291 -11.854 268 H ASP 34 HN ASP 34 6.423 -14.504 -15.923 269 HA ASP 34 HA ASP 34 9.037 -14.625 -17.307 270 1HB ASP 34 2HB ASP 34 6.294 -15.849 -17.671 271 2HB ASP 34 1HB ASP 34 7.609 -16.124 -18.817 272 H GLY 35 HN GLY 35 9.528 -13.271 -18.995 273 1HA GLY 35 2HA GLY 35 8.982 -12.276 -21.122 274 2HA GLY 35 1HA GLY 35 7.299 -12.171 -20.614 275 H LEU 36 HN LEU 36 7.621 -10.871 -18.126 276 HA LEU 36 HA LEU 36 7.731 -8.165 -19.054 277 1HB LEU 36 2HB LEU 36 6.401 -9.206 -17.140 278 2HB LEU 36 1HB LEU 36 7.886 -9.128 -16.189 279 HG LEU 36 HG LEU 36 6.854 -6.689 -17.624 280 1HD1 LEU 36 1HD1 LEU 36 5.625 -8.063 -15.368 281 2HD1 LEU 36 2HD1 LEU 36 5.029 -6.690 -16.298 282 3HD1 LEU 36 3HD1 LEU 36 6.127 -6.427 -14.942 283 1HD2 LEU 36 1HD2 LEU 36 9.015 -7.374 -15.808 284 2HD2 LEU 36 2HD2 LEU 36 8.015 -6.086 -15.137 285 3HD2 LEU 36 3HD2 LEU 36 8.761 -5.889 -16.723 286 H GLU 37 HN GLU 37 9.251 -6.514 -18.607 287 HA GLU 37 HA GLU 37 11.806 -7.217 -17.273 288 1HB GLU 37 2HB GLU 37 13.072 -6.557 -19.290 289 2HB GLU 37 1HB GLU 37 11.992 -7.903 -19.654 290 1HG GLU 37 2HG GLU 37 10.323 -6.326 -20.558 291 2HG GLU 37 1HG GLU 37 11.404 -4.979 -20.198 292 H THR 38 HN THR 38 13.220 -5.152 -17.187 293 HA THR 38 HA THR 38 11.691 -2.952 -16.147 294 HB THR 38 HB THR 38 14.210 -1.999 -16.762 295 HG1 THR 38 HG1 THR 38 15.575 -3.766 -16.425 296 1HG2 THR 38 1HG2 THR 38 13.622 -1.750 -14.562 297 2HG2 THR 38 2HG2 THR 38 14.689 -3.144 -14.399 298 3HG2 THR 38 3HG2 THR 38 12.943 -3.373 -14.452 299 H GLY 39 HN GLY 39 11.438 -0.809 -17.082 300 1HA GLY 39 2HA GLY 39 11.233 0.773 -18.817 301 2HA GLY 39 1HA GLY 39 12.189 -0.284 -19.850 302 H ALA 40 HN ALA 40 9.891 -2.245 -18.587 303 HA ALA 40 HA ALA 40 8.263 -2.254 -21.024 304 1HB ALA 40 1HB ALA 40 7.056 -4.007 -19.493 305 2HB ALA 40 2HB ALA 40 8.425 -3.747 -18.411 306 3HB ALA 40 3HB ALA 40 8.695 -4.358 -20.044 307 H SER 41 HN SER 41 5.882 -1.891 -20.954 308 HA SER 41 HA SER 41 5.135 0.112 -18.857 309 1HB SER 41 2HB SER 41 3.113 0.168 -20.636 310 2HB SER 41 1HB SER 41 4.602 1.072 -20.883 311 HG SER 41 HG SER 41 4.252 -1.589 -21.740 312 H VAL 42 HN VAL 42 4.293 -0.979 -17.124 313 HA VAL 42 HA VAL 42 2.414 -3.245 -17.567 314 HB VAL 42 HB VAL 42 4.069 -2.140 -15.334 315 1HG1 VAL 42 1HG1 VAL 42 2.530 -3.833 -13.914 316 2HG1 VAL 42 2HG1 VAL 42 1.308 -3.149 -14.988 317 3HG1 VAL 42 3HG1 VAL 42 2.265 -2.090 -13.950 318 1HG2 VAL 42 1HG2 VAL 42 3.439 -4.748 -16.614 319 2HG2 VAL 42 2HG2 VAL 42 3.898 -4.766 -14.913 320 3HG2 VAL 42 3HG2 VAL 42 5.002 -4.094 -16.118 321 H ALA 43 HN ALA 43 0.236 -2.892 -17.405 322 HA ALA 43 HA ALA 43 -0.689 -0.198 -16.513 323 1HB ALA 43 1HB ALA 43 -2.228 -2.464 -17.820 324 2HB ALA 43 2HB ALA 43 -1.395 -1.205 -18.732 325 3HB ALA 43 3HB ALA 43 -2.737 -0.782 -17.669 326 H HIS 44 HN HIS 44 -1.286 -0.121 -14.391 327 HA HIS 44 HA HIS 44 -1.907 -2.619 -12.927 328 1HB HIS 44 2HB HIS 44 -1.248 0.241 -12.317 329 2HB HIS 44 1HB HIS 44 -2.121 -0.681 -11.095 330 HD1 HIS 44 HD1 HIS 44 0.495 -2.215 -13.384 331 HD2 HIS 44 HD2 HIS 44 0.076 -1.081 -9.383 332 HE1 HIS 44 HE1 HIS 44 2.517 -3.126 -12.158 333 HE2 HIS 44 HE2 HIS 44 2.271 -2.439 -9.733 334 H ASN 45 HN ASN 45 -3.943 -3.281 -13.311 335 HA ASN 45 HA ASN 45 -6.252 -3.281 -13.651 336 1HB ASN 45 2HB ASN 45 -5.815 -1.926 -11.368 337 2HB ASN 45 1HB ASN 45 -6.543 -0.634 -12.328 338 1HD2 ASN 45 1HD2 ASN 45 -7.198 -3.602 -10.631 339 2HD2 ASN 45 2HD2 ASN 45 -8.840 -3.715 -11.030 340 H GLY 46 HN GLY 46 -4.207 -1.436 -15.280 341 1HA GLY 46 2HA GLY 46 -4.985 -0.939 -17.566 342 2HA GLY 46 1HA GLY 46 -6.418 -0.207 -16.854 343 H CYS 47 HN CYS 47 -3.811 0.714 -14.946 344 HA CYS 47 HA CYS 47 -3.586 3.304 -16.425 345 1HB CYS 47 2HB CYS 47 -4.242 3.195 -13.980 346 2HB CYS 47 1HB CYS 47 -2.634 2.557 -13.637 347 HG CYS 47 HG CYS 47 -3.262 5.460 -14.074 348 H CYS 48 HN CYS 48 -1.924 3.188 -17.893 349 HA CYS 48 HA CYS 48 0.152 1.215 -17.674 350 1HB CYS 48 2HB CYS 48 0.894 2.208 -19.791 351 2HB CYS 48 1HB CYS 48 -0.866 2.068 -19.774 352 HG CYS 48 HG CYS 48 -0.644 4.496 -20.409 353 H LEU 49 HN LEU 49 2.119 1.363 -16.770 354 HA LEU 49 HA LEU 49 3.509 3.968 -16.639 355 1HB LEU 49 2HB LEU 49 4.076 3.386 -14.191 356 2HB LEU 49 1HB LEU 49 2.438 3.956 -14.511 357 HG LEU 49 HG LEU 49 2.766 1.045 -14.803 358 1HD1 LEU 49 1HD1 LEU 49 3.926 0.721 -12.898 359 2HD1 LEU 49 2HD1 LEU 49 2.511 1.325 -12.036 360 3HD1 LEU 49 3HD1 LEU 49 3.820 2.430 -12.468 361 1HD2 LEU 49 1HD2 LEU 49 0.873 2.279 -12.870 362 2HD2 LEU 49 2HD2 LEU 49 0.573 1.064 -14.113 363 3HD2 LEU 49 3HD2 LEU 49 0.679 2.768 -14.554 364 H THR 50 HN THR 50 5.871 3.608 -16.228 365 HA THR 50 HA THR 50 6.650 1.073 -17.547 366 HB THR 50 HB THR 50 8.260 3.581 -17.000 367 HG1 THR 50 HG1 THR 50 7.603 3.960 -19.271 368 1HG2 THR 50 1HG2 THR 50 8.523 1.403 -19.097 369 2HG2 THR 50 2HG2 THR 50 9.551 1.575 -17.674 370 3HG2 THR 50 3HG2 THR 50 9.574 2.810 -18.933 371 H VAL 51 HN VAL 51 8.416 -0.198 -16.814 372 HA VAL 51 HA VAL 51 8.633 -0.474 -13.926 373 HB VAL 51 HB VAL 51 10.217 -1.761 -16.176 374 1HG1 VAL 51 1HG1 VAL 51 9.878 -2.255 -13.266 375 2HG1 VAL 51 2HG1 VAL 51 11.274 -2.541 -14.303 376 3HG1 VAL 51 3HG1 VAL 51 9.919 -3.669 -14.318 377 1HG2 VAL 51 1HG2 VAL 51 7.420 -1.850 -15.624 378 2HG2 VAL 51 2HG2 VAL 51 8.118 -3.419 -15.219 379 3HG2 VAL 51 3HG2 VAL 51 8.333 -2.745 -16.835 380 H THR 52 HN THR 52 9.923 0.931 -12.784 381 HA THR 52 HA THR 52 12.230 2.311 -13.904 382 HB THR 52 HB THR 52 12.462 3.113 -11.637 383 HG1 THR 52 HG1 THR 52 11.606 2.045 -9.935 384 1HG2 THR 52 1HG2 THR 52 9.512 2.596 -12.038 385 2HG2 THR 52 2HG2 THR 52 10.415 3.791 -12.968 386 3HG2 THR 52 3HG2 THR 52 10.262 3.966 -11.219 387 H GLU 53 HN GLU 53 11.708 -0.542 -11.827 388 HA GLU 53 HA GLU 53 14.218 -1.701 -12.798 389 1HB GLU 53 2HB GLU 53 15.256 -1.799 -10.579 390 2HB GLU 53 1HB GLU 53 14.923 -0.126 -11.039 391 1HG GLU 53 2HG GLU 53 12.855 -0.164 -9.775 392 2HG GLU 53 1HG GLU 53 13.128 -1.846 -9.338 393 H ILE 54 HN ILE 54 14.470 -3.939 -12.071 394 HA ILE 54 HA ILE 54 11.943 -5.134 -10.963 395 HB ILE 54 HB ILE 54 14.132 -6.256 -12.750 396 1HG1 ILE 54 2HG1 ILE 54 11.280 -6.237 -13.540 397 2HG1 ILE 54 1HG1 ILE 54 12.044 -4.653 -13.441 398 1HG2 ILE 54 1HG2 ILE 54 11.557 -7.645 -12.041 399 2HG2 ILE 54 2HG2 ILE 54 12.960 -7.791 -10.983 400 3HG2 ILE 54 3HG2 ILE 54 13.057 -8.343 -12.655 401 1HD1 ILE 54 1HD1 ILE 54 13.296 -5.024 -15.297 402 2HD1 ILE 54 2HD1 ILE 54 12.199 -6.372 -15.609 403 3HD1 ILE 54 3HD1 ILE 54 13.727 -6.654 -14.771 404 H ASN 55 HN ASN 55 12.119 -6.044 -9.012 405 HA ASN 55 HA ASN 55 14.838 -6.385 -7.824 406 1HB ASN 55 2HB ASN 55 12.041 -5.924 -6.794 407 2HB ASN 55 1HB ASN 55 13.298 -6.532 -5.715 408 1HD2 ASN 55 1HD2 ASN 55 12.936 -3.928 -8.200 409 2HD2 ASN 55 2HD2 ASN 55 13.797 -2.763 -7.315 410 H GLY 56 HN GLY 56 14.614 -8.395 -9.447 411 1HA GLY 56 2HA GLY 56 14.628 -10.775 -9.456 412 2HA GLY 56 1HA GLY 56 13.977 -10.759 -7.815 413 H ASN 57 HN ASN 57 11.896 -11.460 -7.680 414 HA ASN 57 HA ASN 57 10.212 -11.625 -10.069 415 1HB ASN 57 2HB ASN 57 9.142 -13.164 -8.788 416 2HB ASN 57 1HB ASN 57 10.446 -12.932 -7.645 417 1HD2 ASN 57 1HD2 ASN 57 7.358 -11.443 -8.549 418 2HD2 ASN 57 2HD2 ASN 57 6.883 -11.022 -6.976 419 H HIS 58 HN HIS 58 10.840 -9.347 -7.522 420 HA HIS 58 HA HIS 58 8.280 -7.973 -7.589 421 1HB HIS 58 2HB HIS 58 11.047 -7.477 -6.539 422 2HB HIS 58 1HB HIS 58 9.870 -6.170 -6.520 423 HD1 HIS 58 HD1 HIS 58 11.090 -8.354 -4.184 424 HD2 HIS 58 HD2 HIS 58 7.188 -7.655 -5.484 425 HE1 HIS 58 HE1 HIS 58 9.557 -9.140 -2.329 426 H VAL 59 HN VAL 59 7.974 -5.797 -8.453 427 HA VAL 59 HA VAL 59 10.051 -4.865 -10.347 428 HB VAL 59 HB VAL 59 7.148 -5.437 -10.970 429 1HG1 VAL 59 1HG1 VAL 59 7.695 -3.231 -11.857 430 2HG1 VAL 59 2HG1 VAL 59 7.641 -4.394 -13.182 431 3HG1 VAL 59 3HG1 VAL 59 9.192 -3.854 -12.541 432 1HG2 VAL 59 1HG2 VAL 59 8.143 -7.342 -11.698 433 2HG2 VAL 59 2HG2 VAL 59 9.758 -6.652 -11.511 434 3HG2 VAL 59 3HG2 VAL 59 8.834 -6.355 -12.987 435 H SER 60 HN SER 60 10.448 -2.769 -9.838 436 HA SER 60 HA SER 60 8.456 -1.155 -8.344 437 1HB SER 60 2HB SER 60 11.108 -1.386 -8.103 438 2HB SER 60 1HB SER 60 11.067 -0.126 -9.329 439 HG SER 60 HG SER 60 9.338 0.715 -7.706 440 H PHE 61 HN PHE 61 7.257 0.416 -9.385 441 HA PHE 61 HA PHE 61 7.997 1.072 -12.216 442 1HB PHE 61 2HB PHE 61 5.299 1.108 -10.813 443 2HB PHE 61 1HB PHE 61 5.574 1.527 -12.501 444 HD1 PHE 61 HD1 PHE 61 5.463 -1.208 -10.037 445 HD2 PHE 61 HD2 PHE 61 6.101 -0.185 -14.163 446 HE1 PHE 61 HE1 PHE 61 5.238 -3.598 -10.665 447 HE2 PHE 61 HE2 PHE 61 5.880 -2.577 -14.790 448 HZ PHE 61 HZ PHE 61 5.446 -4.282 -13.041 449 H ASP 62 HN ASP 62 7.553 3.348 -12.843 450 HA ASP 62 HA ASP 62 8.041 5.213 -10.571 451 1HB ASP 62 2HB ASP 62 8.506 6.810 -12.445 452 2HB ASP 62 1HB ASP 62 9.488 5.352 -12.538 453 H LEU 63 HN LEU 63 6.749 6.975 -10.140 454 HA LEU 63 HA LEU 63 4.121 7.250 -11.491 455 1HB LEU 63 2HB LEU 63 4.702 5.686 -9.157 456 2HB LEU 63 1HB LEU 63 3.715 7.056 -8.672 457 HG LEU 63 HG LEU 63 2.717 5.940 -11.146 458 1HD1 LEU 63 1HD1 LEU 63 2.599 3.709 -10.739 459 2HD1 LEU 63 2HD1 LEU 63 2.242 3.953 -9.029 460 3HD1 LEU 63 3HD1 LEU 63 3.915 3.996 -9.595 461 1HD2 LEU 63 1HD2 LEU 63 0.645 6.117 -10.033 462 2HD2 LEU 63 2HD2 LEU 63 1.613 7.338 -9.211 463 3HD2 LEU 63 3HD2 LEU 63 1.358 5.765 -8.459 464 H MET 64 HN MET 64 3.971 9.474 -11.717 465 HA MET 64 HA MET 64 5.507 11.322 -10.092 466 1HB MET 64 2HB MET 64 3.424 11.411 -12.230 467 2HB MET 64 1HB MET 64 3.706 12.886 -11.305 468 1HG MET 64 2HG MET 64 6.106 12.756 -11.844 469 2HG MET 64 1HG MET 64 5.820 11.283 -12.768 470 1HE MET 64 1HE MET 64 3.707 14.549 -12.351 471 2HE MET 64 2HE MET 64 4.274 15.504 -13.719 472 3HE MET 64 3HE MET 64 5.398 15.062 -12.436 473 H LYS 65 HN LYS 65 4.844 12.464 -8.266 474 HA LYS 65 HA LYS 65 2.777 11.463 -6.600 475 1HB LYS 65 2HB LYS 65 4.746 12.753 -5.861 476 2HB LYS 65 1HB LYS 65 4.126 14.183 -6.688 477 1HG LYS 65 2HG LYS 65 3.588 14.259 -4.281 478 2HG LYS 65 1HG LYS 65 2.119 14.146 -5.251 479 1HD LYS 65 2HD LYS 65 1.918 11.785 -4.805 480 2HD LYS 65 1HD LYS 65 3.505 11.742 -4.036 481 1HE LYS 65 2HE LYS 65 2.559 13.467 -2.366 482 2HE LYS 65 1HE LYS 65 0.964 13.019 -3.003 483 1HZ LYS 65 1HZ LYS 65 2.985 11.260 -1.737 484 2HZ LYS 65 2HZ LYS 65 1.712 10.642 -2.679 485 3HZ LYS 65 3HZ LYS 65 1.377 11.516 -1.260 486 H GLU 66 HN GLU 66 2.825 14.453 -8.596 487 HA GLU 66 HA GLU 66 0.077 15.140 -8.063 488 1HB GLU 66 2HB GLU 66 1.791 16.702 -8.922 489 2HB GLU 66 1HB GLU 66 1.905 15.763 -10.411 490 1HG GLU 66 2HG GLU 66 -0.472 16.226 -10.891 491 2HG GLU 66 1HG GLU 66 -0.588 17.169 -9.404 492 H THR 67 HN THR 67 1.649 13.216 -10.622 493 HA THR 67 HA THR 67 -0.728 12.611 -12.132 494 HB THR 67 HB THR 67 1.762 10.970 -11.576 495 HG1 THR 67 HG1 THR 67 1.166 13.134 -13.228 496 1HG2 THR 67 1HG2 THR 67 -0.541 10.699 -13.448 497 2HG2 THR 67 2HG2 THR 67 0.425 9.448 -12.667 498 3HG2 THR 67 3HG2 THR 67 1.061 10.305 -14.072 499 H LEU 68 HN LEU 68 0.702 11.251 -9.188 500 HA LEU 68 HA LEU 68 -0.903 8.918 -8.947 501 1HB LEU 68 2HB LEU 68 1.218 9.603 -7.739 502 2HB LEU 68 1HB LEU 68 0.239 10.721 -6.794 503 HG LEU 68 HG LEU 68 -1.215 8.725 -6.167 504 1HD1 LEU 68 1HD1 LEU 68 -0.100 7.371 -8.101 505 2HD1 LEU 68 2HD1 LEU 68 -0.437 6.540 -6.586 506 3HD1 LEU 68 3HD1 LEU 68 1.198 7.094 -6.942 507 1HD2 LEU 68 1HD2 LEU 68 1.133 9.775 -5.105 508 2HD2 LEU 68 2HD2 LEU 68 1.399 8.031 -5.067 509 3HD2 LEU 68 3HD2 LEU 68 -0.005 8.728 -4.256 510 H ARG 69 HN ARG 69 -1.304 12.213 -7.622 511 HA ARG 69 HA ARG 69 -3.871 11.707 -6.376 512 1HB ARG 69 2HB ARG 69 -2.161 13.501 -5.854 513 2HB ARG 69 1HB ARG 69 -2.648 14.308 -7.344 514 1HG ARG 69 2HG ARG 69 -4.965 14.461 -6.509 515 2HG ARG 69 1HG ARG 69 -4.478 13.658 -5.015 516 1HD ARG 69 2HD ARG 69 -2.794 15.516 -4.663 517 2HD ARG 69 1HD ARG 69 -3.549 16.367 -6.021 518 HE ARG 69 HE ARG 69 -4.773 15.898 -3.384 519 1HH1 ARG 69 1HH1 ARG 69 -5.223 16.637 -6.738 520 2HH1 ARG 69 2HH1 ARG 69 -6.733 17.441 -6.482 521 1HH2 ARG 69 1HH2 ARG 69 -6.741 16.938 -3.056 522 2HH2 ARG 69 2HH2 ARG 69 -7.593 17.609 -4.407 523 H ILE 70 HN ILE 70 -2.856 13.029 -9.510 524 HA ILE 70 HA ILE 70 -5.437 13.835 -10.434 525 HB ILE 70 HB ILE 70 -2.804 14.060 -11.128 526 1HG1 ILE 70 2HG1 ILE 70 -5.239 14.603 -12.837 527 2HG1 ILE 70 1HG1 ILE 70 -4.525 15.690 -11.646 528 1HG2 ILE 70 1HG2 ILE 70 -4.062 12.146 -13.082 529 2HG2 ILE 70 2HG2 ILE 70 -2.502 12.028 -12.268 530 3HG2 ILE 70 3HG2 ILE 70 -2.740 13.218 -13.538 531 1HD1 ILE 70 1HD1 ILE 70 -2.366 15.092 -13.249 532 2HD1 ILE 70 2HD1 ILE 70 -3.358 16.543 -13.397 533 3HD1 ILE 70 3HD1 ILE 70 -3.690 15.139 -14.413 534 H THR 71 HN THR 71 -3.559 10.864 -10.741 535 HA THR 71 HA THR 71 -5.726 9.459 -12.167 536 HB THR 71 HB THR 71 -4.119 7.606 -12.135 537 HG1 THR 71 HG1 THR 71 -2.274 9.188 -10.757 538 1HG2 THR 71 1HG2 THR 71 -2.132 8.785 -13.157 539 2HG2 THR 71 2HG2 THR 71 -2.913 10.308 -12.737 540 3HG2 THR 71 3HG2 THR 71 -3.689 9.203 -13.869 541 H ASN 72 HN ASN 72 -5.885 7.073 -11.028 542 HA ASN 72 HA ASN 72 -6.563 7.548 -8.157 543 1HB ASN 72 2HB ASN 72 -8.492 6.817 -9.284 544 2HB ASN 72 1HB ASN 72 -7.581 5.782 -10.370 545 1HD2 ASN 72 1HD2 ASN 72 -8.767 3.837 -9.875 546 2HD2 ASN 72 2HD2 ASN 72 -8.693 3.097 -8.351 547 H LEU 73 HN LEU 73 -3.868 7.017 -9.540 548 HA LEU 73 HA LEU 73 -3.083 4.304 -8.853 549 1HB LEU 73 2HB LEU 73 -1.621 6.911 -9.369 550 2HB LEU 73 1HB LEU 73 -0.790 5.378 -9.115 551 HG LEU 73 HG LEU 73 -2.903 5.802 -11.254 552 1HD1 LEU 73 1HD1 LEU 73 -1.304 6.449 -12.745 553 2HD1 LEU 73 2HD1 LEU 73 -0.053 5.459 -11.990 554 3HD1 LEU 73 3HD1 LEU 73 -0.483 7.021 -11.292 555 1HD2 LEU 73 1HD2 LEU 73 -1.742 3.710 -12.155 556 2HD2 LEU 73 2HD2 LEU 73 -2.698 3.482 -10.691 557 3HD2 LEU 73 3HD2 LEU 73 -0.940 3.593 -10.589 558 H GLY 74 HN GLY 74 -2.898 7.457 -7.182 559 1HA GLY 74 2HA GLY 74 -1.319 6.852 -4.996 560 2HA GLY 74 1HA GLY 74 -2.703 7.928 -4.896 561 H ASP 75 HN ASP 75 -4.449 5.539 -5.718 562 HA ASP 75 HA ASP 75 -5.340 4.930 -3.080 563 1HB ASP 75 2HB ASP 75 -6.930 3.533 -4.253 564 2HB ASP 75 1HB ASP 75 -6.614 4.946 -5.261 565 H LEU 76 HN LEU 76 -2.884 3.451 -5.017 566 HA LEU 76 HA LEU 76 -3.030 0.749 -4.206 567 1HB LEU 76 2HB LEU 76 -0.653 2.510 -4.837 568 2HB LEU 76 1HB LEU 76 -0.614 0.749 -4.819 569 HG LEU 76 HG LEU 76 -2.459 2.405 -6.564 570 1HD1 LEU 76 1HD1 LEU 76 0.252 1.192 -7.012 571 2HD1 LEU 76 2HD1 LEU 76 -0.378 2.746 -7.562 572 3HD1 LEU 76 3HD1 LEU 76 -0.896 1.254 -8.349 573 1HD2 LEU 76 1HD2 LEU 76 -3.517 0.456 -6.962 574 2HD2 LEU 76 2HD2 LEU 76 -2.522 -0.304 -5.720 575 3HD2 LEU 76 3HD2 LEU 76 -1.992 -0.312 -7.403 576 H LYS 77 HN LYS 77 -2.244 -0.380 -2.475 577 HA LYS 77 HA LYS 77 -0.663 1.043 -0.382 578 1HB LYS 77 2HB LYS 77 -3.263 -0.483 -0.023 579 2HB LYS 77 1HB LYS 77 -2.192 -0.081 1.319 580 1HG LYS 77 2HG LYS 77 -2.400 2.316 0.772 581 2HG LYS 77 1HG LYS 77 -3.475 1.916 -0.570 582 1HD LYS 77 2HD LYS 77 -5.069 0.886 1.009 583 2HD LYS 77 1HD LYS 77 -3.999 1.288 2.352 584 1HE LYS 77 2HE LYS 77 -5.574 3.064 2.340 585 2HE LYS 77 1HE LYS 77 -4.191 3.741 1.458 586 1HZ LYS 77 1HZ LYS 77 -6.566 2.412 0.261 587 2HZ LYS 77 2HZ LYS 77 -5.203 2.929 -0.613 588 3HZ LYS 77 3HZ LYS 77 -6.193 4.064 0.174 589 H VAL 78 HN VAL 78 0.911 -0.322 0.501 590 HA VAL 78 HA VAL 78 1.595 -2.733 -0.839 591 HB VAL 78 HB VAL 78 2.320 -1.930 1.994 592 1HG1 VAL 78 1HG1 VAL 78 3.073 -4.099 0.365 593 2HG1 VAL 78 2HG1 VAL 78 3.858 -3.572 1.855 594 3HG1 VAL 78 3HG1 VAL 78 4.434 -2.968 0.297 595 1HG2 VAL 78 1HG2 VAL 78 3.162 -0.855 -0.682 596 2HG2 VAL 78 2HG2 VAL 78 4.284 -0.837 0.679 597 3HG2 VAL 78 3HG2 VAL 78 2.752 0.030 0.788 598 H GLY 79 HN GLY 79 1.460 -4.919 -0.114 599 1HA GLY 79 2HA GLY 79 0.611 -6.710 1.213 600 2HA GLY 79 1HA GLY 79 -0.320 -5.539 2.151 601 H ASP 80 HN ASP 80 -1.015 -4.365 -0.673 602 HA ASP 80 HA ASP 80 -3.408 -6.096 -1.093 603 1HB ASP 80 2HB ASP 80 -3.345 -3.515 -0.786 604 2HB ASP 80 1HB ASP 80 -2.726 -3.477 -2.435 605 H TRP 81 HN TRP 81 -3.981 -6.402 -3.504 606 HA TRP 81 HA TRP 81 -1.473 -6.804 -5.100 607 1HB TRP 81 2HB TRP 81 -4.051 -8.376 -4.926 608 2HB TRP 81 1HB TRP 81 -2.919 -8.586 -6.258 609 HD1 TRP 81 HD1 TRP 81 -2.388 -8.244 -2.433 610 HE1 TRP 81 HE1 TRP 81 -0.822 -10.138 -1.677 611 HE3 TRP 81 HE3 TRP 81 -1.713 -10.664 -6.883 612 HZ2 TRP 81 HZ2 TRP 81 0.534 -12.390 -2.798 613 HZ3 TRP 81 HZ3 TRP 81 -0.277 -12.683 -7.009 614 HH2 TRP 81 HH2 TRP 81 0.847 -13.545 -4.970 615 H VAL 82 HN VAL 82 -1.848 -6.595 -7.470 616 HA VAL 82 HA VAL 82 -3.953 -4.582 -8.125 617 HB VAL 82 HB VAL 82 -1.888 -3.406 -7.896 618 1HG1 VAL 82 1HG1 VAL 82 -0.792 -5.966 -8.866 619 2HG1 VAL 82 2HG1 VAL 82 -0.096 -4.802 -7.737 620 3HG1 VAL 82 3HG1 VAL 82 0.037 -4.535 -9.476 621 1HG2 VAL 82 1HG2 VAL 82 -3.108 -3.623 -10.377 622 2HG2 VAL 82 2HG2 VAL 82 -1.405 -3.912 -10.741 623 3HG2 VAL 82 3HG2 VAL 82 -1.896 -2.418 -9.939 624 H ASN 83 HN ASN 83 -4.866 -4.806 -10.163 625 HA ASN 83 HA ASN 83 -4.512 -7.280 -11.674 626 1HB ASN 83 2HB ASN 83 -6.190 -4.870 -11.582 627 2HB ASN 83 1HB ASN 83 -5.844 -5.378 -13.225 628 1HD2 ASN 83 1HD2 ASN 83 -8.362 -5.810 -12.973 629 2HD2 ASN 83 2HD2 ASN 83 -8.784 -7.375 -12.469 630 H VAL 84 HN VAL 84 -2.454 -7.433 -12.612 631 HA VAL 84 HA VAL 84 -1.377 -4.981 -13.928 632 HB VAL 84 HB VAL 84 0.748 -6.617 -13.869 633 1HG1 VAL 84 1HG1 VAL 84 -0.208 -5.253 -11.348 634 2HG1 VAL 84 2HG1 VAL 84 0.306 -4.354 -12.778 635 3HG1 VAL 84 3HG1 VAL 84 1.447 -5.411 -11.945 636 1HG2 VAL 84 1HG2 VAL 84 0.763 -8.019 -11.893 637 2HG2 VAL 84 2HG2 VAL 84 -0.623 -8.489 -12.878 638 3HG2 VAL 84 3HG2 VAL 84 -0.857 -7.486 -11.445 639 H GLU 85 HN GLU 85 -0.884 -4.941 -16.052 640 HA GLU 85 HA GLU 85 -1.110 -7.487 -17.630 641 1HB GLU 85 2HB GLU 85 -3.258 -6.266 -17.658 642 2HB GLU 85 1HB GLU 85 -2.428 -4.818 -18.229 643 1HG GLU 85 2HG GLU 85 -1.756 -5.955 -20.278 644 2HG GLU 85 1HG GLU 85 -2.455 -7.468 -19.700 645 H ARG 86 HN ARG 86 0.231 -7.529 -19.487 646 HA ARG 86 HA ARG 86 2.530 -5.726 -19.351 647 1HB ARG 86 2HB ARG 86 2.812 -8.113 -19.645 648 2HB ARG 86 1HB ARG 86 1.770 -8.104 -21.069 649 1HG ARG 86 2HG ARG 86 3.384 -6.668 -22.253 650 2HG ARG 86 1HG ARG 86 4.427 -6.661 -20.830 651 1HD ARG 86 2HD ARG 86 4.685 -9.114 -20.992 652 2HD ARG 86 1HD ARG 86 3.644 -9.129 -22.427 653 HE ARG 86 HE ARG 86 6.403 -8.132 -22.317 654 1HH1 ARG 86 1HH1 ARG 86 3.327 -8.045 -23.897 655 2HH1 ARG 86 2HH1 ARG 86 3.981 -7.533 -25.415 656 1HH2 ARG 86 1HH2 ARG 86 7.257 -7.460 -24.292 657 2HH2 ARG 86 2HH2 ARG 86 6.199 -7.201 -25.639 658 H ALA 87 HN ALA 87 2.897 -3.985 -20.656 659 HA ALA 87 HA ALA 87 1.328 -3.742 -23.200 660 1HB ALA 87 1HB ALA 87 0.643 -1.706 -22.491 661 2HB ALA 87 2HB ALA 87 2.288 -1.242 -22.061 662 3HB ALA 87 3HB ALA 87 1.290 -2.127 -20.906 663 H ALA 88 HN ALA 88 2.524 -2.898 -24.989 664 HA ALA 88 HA ALA 88 5.499 -2.935 -24.607 665 1HB ALA 88 1HB ALA 88 5.441 -4.454 -26.272 666 2HB ALA 88 2HB ALA 88 4.667 -3.274 -27.330 667 3HB ALA 88 3HB ALA 88 3.682 -4.323 -26.311 668 H LYS 89 HN LYS 89 6.669 -1.171 -25.284 669 HA LYS 89 HA LYS 89 5.447 1.353 -25.739 670 1HB LYS 89 2HB LYS 89 8.198 0.301 -26.482 671 2HB LYS 89 1HB LYS 89 7.769 2.005 -26.328 672 1HG LYS 89 2HG LYS 89 7.699 -0.079 -24.129 673 2HG LYS 89 1HG LYS 89 8.820 1.275 -24.260 674 1HD LYS 89 2HD LYS 89 6.776 2.801 -24.226 675 2HD LYS 89 1HD LYS 89 5.841 1.379 -23.757 676 1HE LYS 89 2HE LYS 89 6.412 2.231 -21.655 677 2HE LYS 89 1HE LYS 89 7.783 1.140 -21.938 678 1HZ LYS 89 1HZ LYS 89 8.120 3.708 -21.417 679 2HZ LYS 89 2HZ LYS 89 7.944 3.809 -23.104 680 3HZ LYS 89 3HZ LYS 89 9.170 2.845 -22.431 681 H PHE 90 HN PHE 90 6.753 -1.039 -28.036 682 HA PHE 90 HA PHE 90 5.182 0.259 -30.205 683 1HB PHE 90 2HB PHE 90 7.217 0.266 -31.627 684 2HB PHE 90 1HB PHE 90 7.427 1.262 -30.188 685 HD1 PHE 90 HD1 PHE 90 8.884 0.562 -28.355 686 HD2 PHE 90 HD2 PHE 90 8.367 -1.889 -31.849 687 HE1 PHE 90 HE1 PHE 90 10.847 -0.802 -27.689 688 HE2 PHE 90 HE2 PHE 90 10.330 -3.253 -31.183 689 HZ PHE 90 HZ PHE 90 11.570 -2.709 -29.103 690 H SER 91 HN SER 91 4.790 -1.192 -31.989 691 HA SER 91 HA SER 91 5.648 -4.028 -31.603 692 1HB SER 91 2HB SER 91 2.821 -3.009 -32.027 693 2HB SER 91 1HB SER 91 3.287 -4.707 -31.968 694 HG SER 91 HG SER 91 2.632 -4.128 -29.931 695 H ASP 92 HN ASP 92 5.720 -5.226 -33.578 696 HA ASP 92 HA ASP 92 6.205 -3.788 -36.016 697 1HB ASP 92 2HB ASP 92 5.577 -6.674 -35.335 698 2HB ASP 92 1HB ASP 92 6.044 -6.151 -36.954 699 H GLU 93 HN GLU 93 3.355 -5.608 -34.841 700 HA GLU 93 HA GLU 93 1.604 -3.993 -36.579 701 1HB GLU 93 2HB GLU 93 0.810 -5.971 -37.818 702 2HB GLU 93 1HB GLU 93 2.546 -5.759 -38.038 703 1HG GLU 93 2HG GLU 93 2.990 -7.437 -36.297 704 2HG GLU 93 1HG GLU 93 1.257 -7.641 -36.039 705 H ILE 94 HN ILE 94 1.427 -3.957 -33.882 706 HA ILE 94 HA ILE 94 -0.124 -4.385 -32.057 707 HB ILE 94 HB ILE 94 -1.596 -4.897 -34.652 708 1HG1 ILE 94 2HG1 ILE 94 -0.805 -2.597 -34.161 709 2HG1 ILE 94 1HG1 ILE 94 -2.566 -2.695 -34.179 710 1HG2 ILE 94 1HG2 ILE 94 -2.527 -5.202 -31.831 711 2HG2 ILE 94 2HG2 ILE 94 -3.050 -6.057 -33.282 712 3HG2 ILE 94 3HG2 ILE 94 -3.622 -4.418 -32.967 713 1HD1 ILE 94 1HD1 ILE 94 -1.710 -3.306 -31.533 714 2HD1 ILE 94 2HD1 ILE 94 -2.619 -1.897 -32.078 715 3HD1 ILE 94 3HD1 ILE 94 -0.857 -1.848 -32.038 716 H GLY 95 HN GLY 95 1.586 -6.620 -33.318 717 1HA GLY 95 2HA GLY 95 0.079 -9.066 -33.174 718 2HA GLY 95 1HA GLY 95 1.837 -8.947 -33.083 719 H GLY 96 HN GLY 96 -0.939 -7.998 -31.014 720 1HA GLY 96 2HA GLY 96 0.257 -9.569 -28.807 721 2HA GLY 96 1HA GLY 96 0.036 -7.841 -28.528 722 H HIS 97 HN HIS 97 -1.392 -10.729 -27.939 723 HA HIS 97 HA HIS 97 -4.145 -9.529 -27.999 724 1HB HIS 97 2HB HIS 97 -4.917 -11.876 -28.266 725 2HB HIS 97 1HB HIS 97 -3.826 -11.404 -29.569 726 HD1 HIS 97 HD1 HIS 97 -3.935 -13.463 -26.405 727 HD2 HIS 97 HD2 HIS 97 -1.381 -12.808 -29.635 728 HE1 HIS 97 HE1 HIS 97 -2.109 -15.210 -26.241 729 1H MET 1 1HT MET 1 -0.251 -0.784 -29.719 730 2H MET 1 2HT MET 1 -1.939 -0.808 -29.910 731 3H MET 1 3HT MET 1 -1.229 -1.475 -28.518 732 HA MET 1 HA MET 1 -0.274 1.026 -28.391 733 1HB MET 1 2HB MET 1 -3.040 1.054 -29.650 734 2HB MET 1 1HB MET 1 -2.175 2.476 -29.066 735 1HG MET 1 2HG MET 1 -1.273 0.623 -31.290 736 2HG MET 1 1HG MET 1 -1.869 2.270 -31.484 737 1HE MET 1 1HE MET 1 0.121 3.983 -28.935 738 2HE MET 1 2HE MET 1 -1.191 4.022 -30.110 739 3HE MET 1 3HE MET 1 0.401 4.631 -30.557 740 H PHE 2 HN PHE 2 -1.370 2.237 -26.568 741 HA PHE 2 HA PHE 2 -3.646 1.255 -25.179 742 1HB PHE 2 2HB PHE 2 -2.594 -0.040 -23.436 743 2HB PHE 2 1HB PHE 2 -2.026 -0.697 -24.963 744 HD1 PHE 2 HD1 PHE 2 -1.119 1.795 -22.312 745 HD2 PHE 2 HD2 PHE 2 0.284 -0.873 -25.378 746 HE1 PHE 2 HE1 PHE 2 1.222 2.230 -21.621 747 HE2 PHE 2 HE2 PHE 2 2.626 -0.434 -24.682 748 HZ PHE 2 HZ PHE 2 3.095 1.117 -22.804 749 H THR 3 HN THR 3 -4.144 2.806 -23.600 750 HA THR 3 HA THR 3 -1.975 4.794 -23.014 751 HB THR 3 HB THR 3 -3.597 6.520 -23.412 752 HG1 THR 3 HG1 THR 3 -5.625 4.610 -23.780 753 1HG2 THR 3 1HG2 THR 3 -4.727 4.905 -25.539 754 2HG2 THR 3 2HG2 THR 3 -2.999 4.574 -25.373 755 3HG2 THR 3 3HG2 THR 3 -3.564 6.226 -25.647 756 H GLY 4 HN GLY 4 -4.913 3.172 -21.861 757 1HA GLY 4 2HA GLY 4 -5.724 2.872 -19.678 758 2HA GLY 4 1HA GLY 4 -4.048 3.073 -19.157 759 H ILE 5 HN ILE 5 -5.317 5.655 -21.020 760 HA ILE 5 HA ILE 5 -5.051 7.428 -18.675 761 HB ILE 5 HB ILE 5 -5.779 8.108 -21.541 762 1HG1 ILE 5 2HG1 ILE 5 -3.854 6.645 -21.615 763 2HG1 ILE 5 1HG1 ILE 5 -3.303 8.293 -21.887 764 1HG2 ILE 5 1HG2 ILE 5 -5.200 10.243 -21.011 765 2HG2 ILE 5 2HG2 ILE 5 -3.872 9.731 -19.965 766 3HG2 ILE 5 3HG2 ILE 5 -5.535 9.729 -19.356 767 1HD1 ILE 5 1HD1 ILE 5 -1.868 7.020 -20.272 768 2HD1 ILE 5 2HD1 ILE 5 -3.261 6.894 -19.199 769 3HD1 ILE 5 3HD1 ILE 5 -2.579 8.472 -19.572 770 H VAL 6 HN VAL 6 -6.757 8.349 -17.596 771 HA VAL 6 HA VAL 6 -9.441 7.328 -18.324 772 HB VAL 6 HB VAL 6 -7.928 8.138 -15.877 773 1HG1 VAL 6 1HG1 VAL 6 -9.917 9.490 -15.575 774 2HG1 VAL 6 2HG1 VAL 6 -10.079 8.055 -14.562 775 3HG1 VAL 6 3HG1 VAL 6 -10.954 8.158 -16.089 776 1HG2 VAL 6 1HG2 VAL 6 -9.768 6.028 -15.471 777 2HG2 VAL 6 2HG2 VAL 6 -8.018 5.902 -15.665 778 3HG2 VAL 6 3HG2 VAL 6 -9.075 5.786 -17.074 779 H GLN 7 HN GLN 7 -11.196 8.619 -18.686 780 HA GLN 7 HA GLN 7 -10.967 11.373 -19.438 781 1HB GLN 7 2HB GLN 7 -13.262 9.578 -18.605 782 2HB GLN 7 1HB GLN 7 -13.500 11.211 -19.227 783 1HG GLN 7 2HG GLN 7 -12.438 10.637 -21.326 784 2HG GLN 7 1HG GLN 7 -11.971 9.053 -20.705 785 1HE2 GLN 7 1HE2 GLN 7 -13.708 9.553 -23.051 786 2HE2 GLN 7 2HE2 GLN 7 -15.209 8.847 -22.693 787 H GLY 8 HN GLY 8 -11.945 9.801 -16.366 788 1HA GLY 8 2HA GLY 8 -11.311 12.197 -14.830 789 2HA GLY 8 1HA GLY 8 -13.049 12.006 -15.064 790 H THR 9 HN THR 9 -12.588 11.886 -12.530 791 HA THR 9 HA THR 9 -12.033 9.029 -11.814 792 HB THR 9 HB THR 9 -11.431 10.115 -9.583 793 HG1 THR 9 HG1 THR 9 -10.892 12.427 -9.996 794 1HG2 THR 9 1HG2 THR 9 -9.947 9.664 -11.823 795 2HG2 THR 9 2HG2 THR 9 -9.273 10.241 -10.299 796 3HG2 THR 9 3HG2 THR 9 -9.664 11.388 -11.582 797 H ALA 10 HN ALA 10 -13.128 8.365 -9.728 798 HA ALA 10 HA ALA 10 -15.883 9.545 -9.426 799 1HB ALA 10 1HB ALA 10 -16.617 7.677 -10.483 800 2HB ALA 10 2HB ALA 10 -16.079 6.777 -9.065 801 3HB ALA 10 3HB ALA 10 -15.008 6.951 -10.459 802 H LYS 11 HN LYS 11 -16.695 9.376 -7.299 803 HA LYS 11 HA LYS 11 -14.637 8.667 -5.250 804 1HB LYS 11 2HB LYS 11 -15.579 10.945 -5.285 805 2HB LYS 11 1HB LYS 11 -17.198 10.274 -5.125 806 1HG LYS 11 2HG LYS 11 -16.644 9.311 -2.960 807 2HG LYS 11 1HG LYS 11 -14.973 9.853 -3.118 808 1HD LYS 11 2HD LYS 11 -15.482 11.997 -2.563 809 2HD LYS 11 1HD LYS 11 -17.000 11.974 -3.462 810 1HE LYS 11 2HE LYS 11 -18.062 10.652 -1.657 811 2HE LYS 11 1HE LYS 11 -16.537 10.679 -0.747 812 1HZ LYS 11 1HZ LYS 11 -18.027 13.083 -1.668 813 2HZ LYS 11 2HZ LYS 11 -16.576 13.087 -0.783 814 3HZ LYS 11 3HZ LYS 11 -18.005 12.502 -0.075 815 H LEU 12 HN LEU 12 -14.912 6.627 -4.423 816 HA LEU 12 HA LEU 12 -17.356 5.099 -4.466 817 1HB LEU 12 2HB LEU 12 -14.829 4.493 -3.988 818 2HB LEU 12 1HB LEU 12 -15.238 4.913 -2.340 819 HG LEU 12 HG LEU 12 -16.975 3.233 -2.268 820 1HD1 LEU 12 1HD1 LEU 12 -17.050 1.713 -4.433 821 2HD1 LEU 12 2HD1 LEU 12 -16.471 3.178 -5.225 822 3HD1 LEU 12 3HD1 LEU 12 -18.006 3.192 -4.355 823 1HD2 LEU 12 1HD2 LEU 12 -15.362 1.723 -1.815 824 2HD2 LEU 12 2HD2 LEU 12 -14.216 2.651 -2.785 825 3HD2 LEU 12 3HD2 LEU 12 -15.193 1.392 -3.539 826 H VAL 13 HN VAL 13 -19.131 5.448 -3.260 827 HA VAL 13 HA VAL 13 -18.847 7.034 -0.736 828 HB VAL 13 HB VAL 13 -19.817 8.465 -2.322 829 1HG1 VAL 13 1HG1 VAL 13 -22.050 7.275 -3.439 830 2HG1 VAL 13 2HG1 VAL 13 -20.835 6.002 -3.486 831 3HG1 VAL 13 3HG1 VAL 13 -20.511 7.559 -4.253 832 1HG2 VAL 13 1HG2 VAL 13 -21.125 8.241 -0.191 833 2HG2 VAL 13 2HG2 VAL 13 -22.194 7.116 -1.029 834 3HG2 VAL 13 3HG2 VAL 13 -22.094 8.796 -1.557 835 H SER 14 HN SER 14 -20.430 4.415 -2.445 836 HA SER 14 HA SER 14 -21.366 3.353 0.189 837 1HB SER 14 2HB SER 14 -22.981 4.813 -1.446 838 2HB SER 14 1HB SER 14 -23.292 3.188 -2.046 839 HG SER 14 HG SER 14 -24.682 3.584 -0.346 840 H ILE 15 HN ILE 15 -21.367 1.109 0.283 841 HA ILE 15 HA ILE 15 -20.795 -0.380 -2.264 842 HB ILE 15 HB ILE 15 -20.359 -1.284 0.597 843 1HG1 ILE 15 2HG1 ILE 15 -18.479 0.016 -1.388 844 2HG1 ILE 15 1HG1 ILE 15 -18.948 0.613 0.195 845 1HG2 ILE 15 1HG2 ILE 15 -20.189 -3.264 -0.502 846 2HG2 ILE 15 2HG2 ILE 15 -18.633 -2.654 -1.071 847 3HG2 ILE 15 3HG2 ILE 15 -20.072 -2.481 -2.076 848 1HD1 ILE 15 1HD1 ILE 15 -17.940 -2.007 0.587 849 2HD1 ILE 15 2HD1 ILE 15 -17.210 -0.487 1.103 850 3HD1 ILE 15 3HD1 ILE 15 -16.798 -1.173 -0.468 851 H ASP 16 HN ASP 16 -22.400 -1.709 -2.958 852 HA ASP 16 HA ASP 16 -24.608 -2.389 -1.051 853 1HB ASP 16 2HB ASP 16 -24.390 -2.004 -4.030 854 2HB ASP 16 1HB ASP 16 -25.737 -2.915 -3.345 855 H GLU 17 HN GLU 17 -24.308 -4.443 -0.245 856 HA GLU 17 HA GLU 17 -22.806 -6.407 -1.913 857 1HB GLU 17 2HB GLU 17 -23.540 -6.260 1.029 858 2HB GLU 17 1HB GLU 17 -22.578 -7.551 0.307 859 1HG GLU 17 2HG GLU 17 -20.907 -5.895 -0.437 860 2HG GLU 17 1HG GLU 17 -21.864 -4.604 0.287 861 H LYS 18 HN LYS 18 -24.118 -7.746 -3.091 862 HA LYS 18 HA LYS 18 -26.635 -8.751 -1.803 863 1HB LYS 18 2HB LYS 18 -26.033 -8.885 -4.754 864 2HB LYS 18 1HB LYS 18 -27.598 -8.821 -3.952 865 1HG LYS 18 2HG LYS 18 -26.456 -6.452 -3.146 866 2HG LYS 18 1HG LYS 18 -25.830 -6.620 -4.786 867 1HD LYS 18 2HD LYS 18 -28.518 -7.364 -4.986 868 2HD LYS 18 1HD LYS 18 -28.526 -5.970 -3.905 869 1HE LYS 18 2HE LYS 18 -26.989 -5.959 -6.517 870 2HE LYS 18 1HE LYS 18 -28.676 -5.419 -6.404 871 1HZ LYS 18 1HZ LYS 18 -27.486 -3.497 -5.942 872 2HZ LYS 18 2HZ LYS 18 -26.289 -4.317 -5.059 873 3HZ LYS 18 3HZ LYS 18 -27.835 -4.090 -4.392 874 HA PRO 19 HA PRO 19 -24.408 -12.561 -1.404 875 1HB PRO 19 2HB PRO 19 -26.740 -14.150 -1.480 876 2HB PRO 19 1HB PRO 19 -25.965 -13.494 -0.028 877 1HG PRO 19 2HG PRO 19 -28.310 -12.492 -1.535 878 2HG PRO 19 1HG PRO 19 -27.951 -12.400 0.196 879 1HD PRO 19 2HD PRO 19 -27.737 -10.260 -1.415 880 2HD PRO 19 1HD PRO 19 -26.637 -10.515 -0.039 881 H ASN 20 HN ASN 20 -26.567 -11.731 -3.991 882 HA ASN 20 HA ASN 20 -25.811 -14.110 -5.611 883 1HB ASN 20 2HB ASN 20 -27.333 -11.766 -6.700 884 2HB ASN 20 1HB ASN 20 -27.596 -13.486 -6.975 885 1HD2 ASN 20 1HD2 ASN 20 -27.553 -14.104 -4.040 886 2HD2 ASN 20 2HD2 ASN 20 -29.012 -13.507 -3.422 887 H PHE 21 HN PHE 21 -25.265 -10.659 -5.345 888 HA PHE 21 HA PHE 21 -22.822 -10.882 -7.001 889 1HB PHE 21 2HB PHE 21 -25.178 -9.113 -7.741 890 2HB PHE 21 1HB PHE 21 -23.626 -9.154 -8.580 891 HD1 PHE 21 HD1 PHE 21 -22.845 -11.412 -9.554 892 HD2 PHE 21 HD2 PHE 21 -26.886 -10.633 -8.313 893 HE1 PHE 21 HE1 PHE 21 -23.635 -13.323 -10.927 894 HE2 PHE 21 HE2 PHE 21 -27.677 -12.544 -9.686 895 HZ PHE 21 HZ PHE 21 -26.052 -13.889 -10.993 896 H ARG 22 HN ARG 22 -21.391 -9.091 -6.623 897 HA ARG 22 HA ARG 22 -22.078 -7.428 -4.262 898 1HB ARG 22 2HB ARG 22 -19.894 -8.670 -4.531 899 2HB ARG 22 1HB ARG 22 -19.520 -7.588 -5.873 900 1HG ARG 22 2HG ARG 22 -19.589 -5.655 -4.434 901 2HG ARG 22 1HG ARG 22 -20.204 -6.617 -3.090 902 1HD ARG 22 2HD ARG 22 -18.106 -7.881 -2.982 903 2HD ARG 22 1HD ARG 22 -17.483 -6.997 -4.391 904 HE ARG 22 HE ARG 22 -18.211 -4.962 -2.702 905 1HH1 ARG 22 1HH1 ARG 22 -16.354 -7.854 -2.320 906 2HH1 ARG 22 2HH1 ARG 22 -15.330 -7.185 -1.095 907 1HH2 ARG 22 1HH2 ARG 22 -16.880 -4.086 -1.105 908 2HH2 ARG 22 2HH2 ARG 22 -15.626 -5.057 -0.408 909 H THR 23 HN THR 23 -22.252 -5.190 -4.394 910 HA THR 23 HA THR 23 -22.227 -3.992 -7.146 911 HB THR 23 HB THR 23 -24.167 -3.651 -4.836 912 HG1 THR 23 HG1 THR 23 -24.151 -5.082 -7.237 913 1HG2 THR 23 1HG2 THR 23 -25.459 -2.279 -6.482 914 2HG2 THR 23 2HG2 THR 23 -24.082 -2.366 -7.580 915 3HG2 THR 23 3HG2 THR 23 -23.920 -1.547 -6.026 916 H HIS 24 HN HIS 24 -21.203 -1.977 -7.257 917 HA HIS 24 HA HIS 24 -20.496 -0.683 -4.648 918 1HB HIS 24 2HB HIS 24 -18.849 -1.805 -6.775 919 2HB HIS 24 1HB HIS 24 -18.437 -0.123 -6.427 920 HD1 HIS 24 HD1 HIS 24 -17.244 -3.205 -5.430 921 HD2 HIS 24 HD2 HIS 24 -18.759 -0.012 -3.227 922 HE1 HIS 24 HE1 HIS 24 -16.415 -3.509 -3.052 923 H VAL 25 HN VAL 25 -20.820 1.526 -4.595 924 HA VAL 25 HA VAL 25 -21.684 2.799 -7.166 925 HB VAL 25 HB VAL 25 -22.488 3.493 -4.342 926 1HG1 VAL 25 1HG1 VAL 25 -22.749 5.126 -6.344 927 2HG1 VAL 25 2HG1 VAL 25 -24.152 4.846 -5.313 928 3HG1 VAL 25 3HG1 VAL 25 -24.027 4.032 -6.873 929 1HG2 VAL 25 1HG2 VAL 25 -23.117 1.138 -5.717 930 2HG2 VAL 25 2HG2 VAL 25 -24.522 2.178 -5.954 931 3HG2 VAL 25 3HG2 VAL 25 -23.975 1.794 -4.322 932 H VAL 26 HN VAL 26 -20.684 4.636 -7.757 933 HA VAL 26 HA VAL 26 -18.779 5.913 -5.826 934 HB VAL 26 HB VAL 26 -17.446 6.436 -7.817 935 1HG1 VAL 26 1HG1 VAL 26 -18.034 3.644 -8.506 936 2HG1 VAL 26 2HG1 VAL 26 -17.838 3.909 -6.772 937 3HG1 VAL 26 3HG1 VAL 26 -16.545 4.357 -7.885 938 1HG2 VAL 26 1HG2 VAL 26 -19.815 5.244 -9.275 939 2HG2 VAL 26 2HG2 VAL 26 -18.237 5.442 -10.034 940 3HG2 VAL 26 3HG2 VAL 26 -19.126 6.854 -9.468 941 H GLU 27 HN GLU 27 -18.410 8.307 -6.459 942 HA GLU 27 HA GLU 27 -21.044 9.580 -7.081 943 1HB GLU 27 2HB GLU 27 -19.445 9.764 -4.910 944 2HB GLU 27 1HB GLU 27 -18.705 10.994 -5.926 945 1HG GLU 27 2HG GLU 27 -20.641 12.315 -5.975 946 2HG GLU 27 1HG GLU 27 -21.681 10.968 -5.515 947 H LEU 28 HN LEU 28 -21.090 10.292 -9.167 948 HA LEU 28 HA LEU 28 -18.667 10.468 -10.734 949 1HB LEU 28 2HB LEU 28 -21.205 9.780 -11.184 950 2HB LEU 28 1HB LEU 28 -21.327 11.471 -11.652 951 HG LEU 28 HG LEU 28 -19.557 11.197 -13.300 952 1HD1 LEU 28 1HD1 LEU 28 -17.958 9.675 -12.795 953 2HD1 LEU 28 2HD1 LEU 28 -19.064 8.460 -13.439 954 3HD1 LEU 28 3HD1 LEU 28 -19.035 8.798 -11.708 955 1HD2 LEU 28 1HD2 LEU 28 -21.835 10.532 -13.991 956 2HD2 LEU 28 2HD2 LEU 28 -21.530 8.893 -13.422 957 3HD2 LEU 28 3HD2 LEU 28 -20.623 9.534 -14.791 958 HA PRO 29 HA PRO 29 -17.919 14.762 -9.844 959 1HB PRO 29 2HB PRO 29 -15.987 15.133 -11.752 960 2HB PRO 29 1HB PRO 29 -15.684 14.362 -10.185 961 1HG PRO 29 2HG PRO 29 -16.105 13.118 -12.852 962 2HG PRO 29 1HG PRO 29 -15.006 12.647 -11.547 963 1HD PRO 29 2HD PRO 29 -17.346 11.367 -12.050 964 2HD PRO 29 1HD PRO 29 -16.629 11.476 -10.427 965 H ASP 30 HN ASP 30 -17.690 16.821 -11.317 966 HA ASP 30 HA ASP 30 -20.145 17.180 -12.639 967 1HB ASP 30 2HB ASP 30 -17.508 18.662 -12.742 968 2HB ASP 30 1HB ASP 30 -18.992 19.298 -13.453 969 H HIS 31 HN HIS 31 -16.939 16.488 -14.079 970 HA HIS 31 HA HIS 31 -18.077 16.751 -16.775 971 1HB HIS 31 2HB HIS 31 -15.756 16.477 -17.469 972 2HB HIS 31 1HB HIS 31 -15.827 17.593 -16.111 973 HD1 HIS 31 HD1 HIS 31 -16.348 14.725 -14.307 974 HD2 HIS 31 HD2 HIS 31 -13.022 16.047 -16.438 975 HE1 HIS 31 HE1 HIS 31 -14.345 13.499 -13.351 976 H MET 32 HN MET 32 -18.162 14.283 -14.577 977 HA MET 32 HA MET 32 -18.232 12.245 -16.781 978 1HB MET 32 2HB MET 32 -17.718 11.973 -13.803 979 2HB MET 32 1HB MET 32 -17.953 10.598 -14.883 980 1HG MET 32 2HG MET 32 -15.796 12.709 -15.168 981 2HG MET 32 1HG MET 32 -15.552 11.068 -14.571 982 1HE MET 32 1HE MET 32 -16.518 9.214 -15.561 983 2HE MET 32 2HE MET 32 -15.368 8.776 -16.823 984 3HE MET 32 3HE MET 32 -17.069 8.995 -17.228 985 H LEU 33 HN LEU 33 -20.056 14.116 -14.612 986 HA LEU 33 HA LEU 33 -22.289 12.319 -14.140 987 1HB LEU 33 2HB LEU 33 -21.742 15.273 -13.990 988 2HB LEU 33 1HB LEU 33 -23.387 14.672 -13.782 989 HG LEU 33 HG LEU 33 -21.086 13.495 -12.220 990 1HD1 LEU 33 1HD1 LEU 33 -20.981 15.808 -11.628 991 2HD1 LEU 33 2HD1 LEU 33 -21.928 15.036 -10.357 992 3HD1 LEU 33 3HD1 LEU 33 -22.738 15.959 -11.624 993 1HD2 LEU 33 1HD2 LEU 33 -23.971 13.775 -11.399 994 2HD2 LEU 33 2HD2 LEU 33 -22.778 12.594 -10.858 995 3HD2 LEU 33 3HD2 LEU 33 -23.471 12.470 -12.475 996 H ASP 34 HN ASP 34 -21.238 14.306 -16.792 997 HA ASP 34 HA ASP 34 -23.896 14.272 -18.095 998 1HB ASP 34 2HB ASP 34 -21.182 15.486 -18.657 999 2HB ASP 34 1HB ASP 34 -22.537 15.643 -19.780 1000 H GLY 35 HN GLY 35 -24.421 12.765 -19.637 1001 1HA GLY 35 2HA GLY 35 -23.929 11.586 -21.682 1002 2HA GLY 35 1HA GLY 35 -22.230 11.545 -21.220 1003 H LEU 36 HN LEU 36 -22.456 10.474 -18.616 1004 HA LEU 36 HA LEU 36 -22.557 7.693 -19.290 1005 1HB LEU 36 2HB LEU 36 -21.184 8.919 -17.522 1006 2HB LEU 36 1HB LEU 36 -22.637 8.913 -16.521 1007 HG LEU 36 HG LEU 36 -21.616 6.363 -17.760 1008 1HD1 LEU 36 1HD1 LEU 36 -20.841 7.377 -15.016 1009 2HD1 LEU 36 2HD1 LEU 36 -19.790 7.517 -16.425 1010 3HD1 LEU 36 3HD1 LEU 36 -20.259 5.924 -15.830 1011 1HD2 LEU 36 1HD2 LEU 36 -23.547 5.707 -16.771 1012 2HD2 LEU 36 2HD2 LEU 36 -23.678 7.205 -15.850 1013 3HD2 LEU 36 3HD2 LEU 36 -22.679 5.882 -15.247 1014 H GLU 37 HN GLU 37 -24.040 6.075 -18.647 1015 HA GLU 37 HA GLU 37 -26.561 6.869 -17.300 1016 1HB GLU 37 2HB GLU 37 -27.882 6.015 -19.206 1017 2HB GLU 37 1HB GLU 37 -26.832 7.333 -19.725 1018 1HG GLU 37 2HG GLU 37 -25.171 5.698 -20.536 1019 2HG GLU 37 1HG GLU 37 -26.222 4.377 -20.021 1020 H THR 38 HN THR 38 -27.943 4.805 -16.979 1021 HA THR 38 HA THR 38 -26.353 2.725 -15.794 1022 HB THR 38 HB THR 38 -28.877 1.694 -16.239 1023 HG1 THR 38 HG1 THR 38 -30.275 3.402 -16.141 1024 1HG2 THR 38 1HG2 THR 38 -28.235 1.650 -14.044 1025 2HG2 THR 38 2HG2 THR 38 -29.291 3.061 -13.975 1026 3HG2 THR 38 3HG2 THR 38 -27.546 3.271 -14.106 1027 H GLY 39 HN GLY 39 -26.097 0.511 -16.538 1028 1HA GLY 39 2HA GLY 39 -25.929 -1.223 -18.128 1029 2HA GLY 39 1HA GLY 39 -26.932 -0.273 -19.221 1030 H ALA 40 HN ALA 40 -24.622 1.819 -18.219 1031 HA ALA 40 HA ALA 40 -23.071 1.620 -20.696 1032 1HB ALA 40 1HB ALA 40 -23.168 3.344 -18.224 1033 2HB ALA 40 2HB ALA 40 -23.507 3.801 -19.895 1034 3HB ALA 40 3HB ALA 40 -21.844 3.521 -19.377 1035 H SER 41 HN SER 41 -20.696 1.277 -20.667 1036 HA SER 41 HA SER 41 -19.843 -0.506 -18.429 1037 1HB SER 41 2HB SER 41 -17.879 -0.695 -20.260 1038 2HB SER 41 1HB SER 41 -19.360 -1.638 -20.375 1039 HG SER 41 HG SER 41 -20.099 -0.315 -21.911 1040 H VAL 42 HN VAL 42 -18.969 0.749 -16.826 1041 HA VAL 42 HA VAL 42 -17.133 2.986 -17.537 1042 HB VAL 42 HB VAL 42 -18.700 2.071 -15.160 1043 1HG1 VAL 42 1HG1 VAL 42 -15.948 3.160 -14.998 1044 2HG1 VAL 42 2HG1 VAL 42 -16.837 2.158 -13.851 1045 3HG1 VAL 42 3HG1 VAL 42 -17.152 3.891 -13.936 1046 1HG2 VAL 42 1HG2 VAL 42 -19.578 4.156 -15.317 1047 2HG2 VAL 42 2HG2 VAL 42 -18.829 4.176 -16.915 1048 3HG2 VAL 42 3HG2 VAL 42 -17.990 4.890 -15.536 1049 H ALA 43 HN ALA 43 -14.942 2.673 -17.415 1050 HA ALA 43 HA ALA 43 -13.955 0.081 -16.312 1051 1HB ALA 43 1HB ALA 43 -11.789 1.242 -17.401 1052 2HB ALA 43 2HB ALA 43 -13.032 2.110 -18.303 1053 3HB ALA 43 3HB ALA 43 -12.952 0.349 -18.380 1054 H HIS 44 HN HIS 44 -13.291 0.202 -14.213 1055 HA HIS 44 HA HIS 44 -12.657 2.832 -13.004 1056 1HB HIS 44 2HB HIS 44 -13.259 0.031 -12.114 1057 2HB HIS 44 1HB HIS 44 -12.360 1.071 -11.009 1058 HD1 HIS 44 HD1 HIS 44 -15.063 2.364 -13.343 1059 HD2 HIS 44 HD2 HIS 44 -14.509 1.602 -9.271 1060 HE1 HIS 44 HE1 HIS 44 -17.062 3.359 -12.141 1061 HE2 HIS 44 HE2 HIS 44 -16.731 2.898 -9.672 1062 H ASN 45 HN ASN 45 -10.648 3.474 -13.524 1063 HA ASN 45 HA ASN 45 -8.346 3.469 -13.933 1064 1HB ASN 45 2HB ASN 45 -8.694 2.328 -11.516 1065 2HB ASN 45 1HB ASN 45 -7.982 0.960 -12.376 1066 1HD2 ASN 45 1HD2 ASN 45 -7.306 4.075 -10.984 1067 2HD2 ASN 45 2HD2 ASN 45 -5.680 4.162 -11.434 1068 H GLY 46 HN GLY 46 -10.417 1.465 -15.312 1069 1HA GLY 46 2HA GLY 46 -9.710 0.768 -17.567 1070 2HA GLY 46 1HA GLY 46 -8.243 0.123 -16.843 1071 H CYS 47 HN CYS 47 -10.783 -0.645 -14.777 1072 HA CYS 47 HA CYS 47 -11.012 -3.367 -16.002 1073 1HB CYS 47 2HB CYS 47 -10.280 -3.031 -13.600 1074 2HB CYS 47 1HB CYS 47 -11.883 -2.379 -13.262 1075 HG CYS 47 HG CYS 47 -12.755 -4.688 -13.166 1076 H CYS 48 HN CYS 48 -12.719 -3.403 -17.419 1077 HA CYS 48 HA CYS 48 -14.815 -1.441 -17.314 1078 1HB CYS 48 2HB CYS 48 -15.607 -2.632 -19.308 1079 2HB CYS 48 1HB CYS 48 -13.849 -2.473 -19.357 1080 HG CYS 48 HG CYS 48 -15.144 -5.125 -18.328 1081 H LEU 49 HN LEU 49 -16.752 -1.523 -16.342 1082 HA LEU 49 HA LEU 49 -18.099 -4.123 -15.925 1083 1HB LEU 49 2HB LEU 49 -18.597 -3.327 -13.521 1084 2HB LEU 49 1HB LEU 49 -16.962 -3.906 -13.840 1085 HG LEU 49 HG LEU 49 -17.339 -1.039 -14.386 1086 1HD1 LEU 49 1HD1 LEU 49 -16.989 -1.104 -11.598 1087 2HD1 LEU 49 2HD1 LEU 49 -18.341 -2.192 -11.923 1088 3HD1 LEU 49 3HD1 LEU 49 -18.404 -0.517 -12.473 1089 1HD2 LEU 49 1HD2 LEU 49 -15.375 -2.227 -12.449 1090 2HD2 LEU 49 2HD2 LEU 49 -15.140 -0.925 -13.615 1091 3HD2 LEU 49 3HD2 LEU 49 -15.200 -2.599 -14.164 1092 H THR 50 HN THR 50 -20.451 -3.752 -15.471 1093 HA THR 50 HA THR 50 -21.306 -1.357 -16.989 1094 HB THR 50 HB THR 50 -22.864 -3.822 -16.163 1095 HG1 THR 50 HG1 THR 50 -21.075 -3.310 -18.273 1096 1HG2 THR 50 1HG2 THR 50 -23.839 -3.044 -18.566 1097 2HG2 THR 50 2HG2 THR 50 -23.339 -1.479 -17.927 1098 3HG2 THR 50 3HG2 THR 50 -24.494 -2.467 -17.034 1099 H VAL 51 HN VAL 51 -23.074 -0.045 -16.319 1100 HA VAL 51 HA VAL 51 -23.193 0.492 -13.460 1101 HB VAL 51 HB VAL 51 -24.866 1.553 -15.763 1102 1HG1 VAL 51 1HG1 VAL 51 -24.418 2.330 -12.927 1103 2HG1 VAL 51 2HG1 VAL 51 -25.872 2.464 -13.914 1104 3HG1 VAL 51 3HG1 VAL 51 -24.562 3.627 -14.113 1105 1HG2 VAL 51 1HG2 VAL 51 -22.049 1.738 -15.281 1106 2HG2 VAL 51 2HG2 VAL 51 -22.780 3.328 -15.055 1107 3HG2 VAL 51 3HG2 VAL 51 -23.002 2.462 -16.577 1108 H THR 52 HN THR 52 -24.424 -0.821 -12.151 1109 HA THR 52 HA THR 52 -26.750 -2.317 -13.067 1110 HB THR 52 HB THR 52 -26.900 -2.911 -10.731 1111 HG1 THR 52 HG1 THR 52 -25.853 -1.706 -9.168 1112 1HG2 THR 52 1HG2 THR 52 -24.679 -3.701 -10.309 1113 2HG2 THR 52 2HG2 THR 52 -23.973 -2.403 -11.272 1114 3HG2 THR 52 3HG2 THR 52 -24.887 -3.686 -12.060 1115 H GLU 53 HN GLU 53 -26.209 0.720 -11.273 1116 HA GLU 53 HA GLU 53 -28.758 1.760 -12.264 1117 1HB GLU 53 2HB GLU 53 -29.727 2.048 -10.032 1118 2HB GLU 53 1HB GLU 53 -29.387 0.343 -10.348 1119 1HG GLU 53 2HG GLU 53 -27.279 0.517 -9.162 1120 2HG GLU 53 1HG GLU 53 -27.561 2.229 -8.870 1121 H ILE 54 HN ILE 54 -29.016 4.051 -11.737 1122 HA ILE 54 HA ILE 54 -26.471 5.369 -10.824 1123 HB ILE 54 HB ILE 54 -28.731 6.299 -12.633 1124 1HG1 ILE 54 2HG1 ILE 54 -25.905 6.236 -13.512 1125 2HG1 ILE 54 1HG1 ILE 54 -26.646 4.661 -13.245 1126 1HG2 ILE 54 1HG2 ILE 54 -26.161 7.734 -11.901 1127 2HG2 ILE 54 2HG2 ILE 54 -27.724 8.091 -11.165 1128 3HG2 ILE 54 3HG2 ILE 54 -27.482 8.357 -12.892 1129 1HD1 ILE 54 1HD1 ILE 54 -26.888 6.161 -15.556 1130 2HD1 ILE 54 2HD1 ILE 54 -28.386 6.527 -14.700 1131 3HD1 ILE 54 3HD1 ILE 54 -27.973 4.853 -15.080 1132 H ASN 55 HN ASN 55 -26.592 6.451 -8.958 1133 HA ASN 55 HA ASN 55 -29.282 6.868 -7.722 1134 1HB ASN 55 2HB ASN 55 -26.450 6.533 -6.742 1135 2HB ASN 55 1HB ASN 55 -27.681 7.223 -5.683 1136 1HD2 ASN 55 1HD2 ASN 55 -27.361 4.408 -7.933 1137 2HD2 ASN 55 2HD2 ASN 55 -28.178 3.320 -6.918 1138 H GLY 56 HN GLY 56 -29.135 8.725 -9.528 1139 1HA GLY 56 2HA GLY 56 -29.185 11.094 -9.750 1140 2HA GLY 56 1HA GLY 56 -28.482 11.233 -8.134 1141 H ASN 57 HN ASN 57 -26.407 11.967 -8.132 1142 HA ASN 57 HA ASN 57 -24.801 11.932 -10.580 1143 1HB ASN 57 2HB ASN 57 -23.713 13.593 -9.479 1144 2HB ASN 57 1HB ASN 57 -24.978 13.451 -8.279 1145 1HD2 ASN 57 1HD2 ASN 57 -21.899 11.919 -9.144 1146 2HD2 ASN 57 2HD2 ASN 57 -21.370 11.649 -7.555 1147 H HIS 58 HN HIS 58 -25.310 9.895 -7.822 1148 HA HIS 58 HA HIS 58 -22.743 8.540 -7.843 1149 1HB HIS 58 2HB HIS 58 -25.469 8.112 -6.663 1150 2HB HIS 58 1HB HIS 58 -24.273 6.826 -6.565 1151 HD1 HIS 58 HD1 HIS 58 -25.450 9.202 -4.398 1152 HD2 HIS 58 HD2 HIS 58 -21.581 8.427 -5.755 1153 HE1 HIS 58 HE1 HIS 58 -23.871 10.170 -2.672 1154 H VAL 59 HN VAL 59 -22.430 6.298 -8.514 1155 HA VAL 59 HA VAL 59 -24.558 5.177 -10.248 1156 HB VAL 59 HB VAL 59 -21.685 5.718 -11.016 1157 1HG1 VAL 59 1HG1 VAL 59 -22.234 3.432 -11.684 1158 2HG1 VAL 59 2HG1 VAL 59 -22.235 4.474 -13.109 1159 3HG1 VAL 59 3HG1 VAL 59 -23.759 3.984 -12.371 1160 1HG2 VAL 59 1HG2 VAL 59 -22.714 7.533 -11.901 1161 2HG2 VAL 59 2HG2 VAL 59 -24.316 6.867 -11.568 1162 3HG2 VAL 59 3HG2 VAL 59 -23.464 6.422 -13.049 1163 H SER 60 HN SER 60 -24.920 3.129 -9.544 1164 HA SER 60 HA SER 60 -22.852 1.683 -7.972 1165 1HB SER 60 2HB SER 60 -25.498 1.904 -7.666 1166 2HB SER 60 1HB SER 60 -25.478 0.537 -8.772 1167 HG SER 60 HG SER 60 -25.310 0.179 -6.364 1168 H PHE 61 HN PHE 61 -21.660 0.038 -8.887 1169 HA PHE 61 HA PHE 61 -22.486 -0.883 -11.634 1170 1HB PHE 61 2HB PHE 61 -19.742 -0.765 -10.327 1171 2HB PHE 61 1HB PHE 61 -20.066 -1.337 -11.960 1172 HD1 PHE 61 HD1 PHE 61 -19.914 1.611 -9.758 1173 HD2 PHE 61 HD2 PHE 61 -20.668 0.210 -13.752 1174 HE1 PHE 61 HE1 PHE 61 -19.742 3.937 -10.607 1175 HE2 PHE 61 HE2 PHE 61 -20.498 2.536 -14.600 1176 HZ PHE 61 HZ PHE 61 -20.034 4.400 -13.027 1177 H ASP 62 HN ASP 62 -22.026 -3.212 -12.063 1178 HA ASP 62 HA ASP 62 -22.420 -4.859 -9.622 1179 1HB ASP 62 2HB ASP 62 -22.923 -6.625 -11.328 1180 2HB ASP 62 1HB ASP 62 -23.927 -5.191 -11.520 1181 H LEU 63 HN LEU 63 -21.095 -6.562 -9.073 1182 HA LEU 63 HA LEU 63 -18.506 -6.929 -10.481 1183 1HB LEU 63 2HB LEU 63 -19.032 -5.164 -8.281 1184 2HB LEU 63 1HB LEU 63 -18.012 -6.475 -7.707 1185 HG LEU 63 HG LEU 63 -17.108 -5.578 -10.302 1186 1HD1 LEU 63 1HD1 LEU 63 -16.595 -3.402 -8.390 1187 2HD1 LEU 63 2HD1 LEU 63 -18.283 -3.514 -8.898 1188 3HD1 LEU 63 3HD1 LEU 63 -17.007 -3.319 -10.102 1189 1HD2 LEU 63 1HD2 LEU 63 -15.001 -5.634 -9.247 1190 2HD2 LEU 63 2HD2 LEU 63 -15.925 -6.782 -8.283 1191 3HD2 LEU 63 3HD2 LEU 63 -15.665 -5.143 -7.690 1192 H MET 64 HN MET 64 -18.332 -9.163 -10.509 1193 HA MET 64 HA MET 64 -19.791 -10.871 -8.673 1194 1HB MET 64 2HB MET 64 -17.774 -11.132 -10.862 1195 2HB MET 64 1HB MET 64 -18.007 -12.519 -9.798 1196 1HG MET 64 2HG MET 64 -20.425 -12.465 -10.268 1197 2HG MET 64 1HG MET 64 -20.188 -11.079 -11.332 1198 1HE MET 64 1HE MET 64 -19.347 -14.454 -10.334 1199 2HE MET 64 2HE MET 64 -17.802 -14.545 -11.174 1200 3HE MET 64 3HE MET 64 -19.190 -15.433 -11.798 1201 H LYS 65 HN LYS 65 -19.056 -11.834 -6.775 1202 HA LYS 65 HA LYS 65 -16.950 -10.665 -5.275 1203 1HB LYS 65 2HB LYS 65 -18.878 -11.903 -4.358 1204 2HB LYS 65 1HB LYS 65 -18.264 -13.396 -5.072 1205 1HG LYS 65 2HG LYS 65 -17.651 -13.246 -2.686 1206 2HG LYS 65 1HG LYS 65 -16.214 -13.206 -3.710 1207 1HD LYS 65 2HD LYS 65 -16.031 -10.812 -3.487 1208 2HD LYS 65 1HD LYS 65 -17.594 -10.717 -2.673 1209 1HE LYS 65 2HE LYS 65 -16.572 -12.273 -0.885 1210 2HE LYS 65 1HE LYS 65 -15.005 -11.867 -1.612 1211 1HZ LYS 65 1HZ LYS 65 -15.652 -10.300 0.159 1212 2HZ LYS 65 2HZ LYS 65 -17.032 -9.876 -0.738 1213 3HZ LYS 65 3HZ LYS 65 -15.482 -9.539 -1.347 1214 H GLU 66 HN GLU 66 -17.020 -13.824 -6.989 1215 HA GLU 66 HA GLU 66 -14.248 -14.432 -6.485 1216 1HB GLU 66 2HB GLU 66 -15.967 -16.082 -7.142 1217 2HB GLU 66 1HB GLU 66 -16.141 -15.284 -8.706 1218 1HG GLU 66 2HG GLU 66 -13.776 -15.764 -9.218 1219 2HG GLU 66 1HG GLU 66 -13.600 -16.567 -7.657 1220 H THR 67 HN THR 67 -15.925 -12.765 -9.156 1221 HA THR 67 HA THR 67 -13.605 -12.275 -10.792 1222 HB THR 67 HB THR 67 -16.099 -10.616 -10.305 1223 HG1 THR 67 HG1 THR 67 -16.694 -11.785 -12.299 1224 1HG2 THR 67 1HG2 THR 67 -13.969 -10.607 -12.436 1225 2HG2 THR 67 2HG2 THR 67 -14.606 -9.246 -11.511 1226 3HG2 THR 67 3HG2 THR 67 -15.591 -9.999 -12.766 1227 H LEU 68 HN LEU 68 -14.974 -10.667 -7.940 1228 HA LEU 68 HA LEU 68 -13.382 -8.304 -7.961 1229 1HB LEU 68 2HB LEU 68 -15.454 -8.898 -6.627 1230 2HB LEU 68 1HB LEU 68 -14.431 -9.917 -5.618 1231 HG LEU 68 HG LEU 68 -12.984 -7.856 -5.223 1232 1HD1 LEU 68 1HD1 LEU 68 -13.830 -6.515 -7.103 1233 2HD1 LEU 68 2HD1 LEU 68 -14.151 -5.688 -5.580 1234 3HD1 LEU 68 3HD1 LEU 68 -15.450 -6.543 -6.408 1235 1HD2 LEU 68 1HD2 LEU 68 -15.482 -8.711 -4.105 1236 2HD2 LEU 68 2HD2 LEU 68 -15.385 -6.953 -3.990 1237 3HD2 LEU 68 3HD2 LEU 68 -14.119 -7.955 -3.280 1238 H ARG 69 HN ARG 69 -12.896 -11.464 -6.359 1239 HA ARG 69 HA ARG 69 -10.297 -10.818 -5.246 1240 1HB ARG 69 2HB ARG 69 -11.965 -12.574 -4.508 1241 2HB ARG 69 1HB ARG 69 -11.515 -13.508 -5.933 1242 1HG ARG 69 2HG ARG 69 -9.170 -13.560 -5.164 1243 2HG ARG 69 1HG ARG 69 -9.620 -12.628 -3.734 1244 1HD ARG 69 2HD ARG 69 -11.268 -14.465 -3.160 1245 2HD ARG 69 1HD ARG 69 -10.544 -15.428 -4.460 1246 HE ARG 69 HE ARG 69 -9.244 -14.707 -1.917 1247 1HH1 ARG 69 1HH1 ARG 69 -8.890 -15.744 -5.202 1248 2HH1 ARG 69 2HH1 ARG 69 -7.362 -16.505 -4.925 1249 1HH2 ARG 69 1HH2 ARG 69 -7.253 -15.693 -1.560 1250 2HH2 ARG 69 2HH2 ARG 69 -6.436 -16.475 -2.873 1251 H ILE 70 HN ILE 70 -11.403 -12.434 -8.212 1252 HA ILE 70 HA ILE 70 -8.832 -13.288 -9.143 1253 HB ILE 70 HB ILE 70 -11.481 -13.605 -9.729 1254 1HG1 ILE 70 2HG1 ILE 70 -9.093 -14.273 -11.458 1255 2HG1 ILE 70 1HG1 ILE 70 -9.754 -15.254 -10.150 1256 1HG2 ILE 70 1HG2 ILE 70 -11.630 -12.986 -12.205 1257 2HG2 ILE 70 2HG2 ILE 70 -10.307 -11.867 -11.890 1258 3HG2 ILE 70 3HG2 ILE 70 -11.841 -11.684 -11.041 1259 1HD1 ILE 70 1HD1 ILE 70 -11.985 -14.948 -11.639 1260 2HD1 ILE 70 2HD1 ILE 70 -10.855 -16.281 -11.880 1261 3HD1 ILE 70 3HD1 ILE 70 -10.771 -14.855 -12.915 1262 H THR 71 HN THR 71 -10.769 -10.379 -9.655 1263 HA THR 71 HA THR 71 -8.655 -9.088 -11.273 1264 HB THR 71 HB THR 71 -10.285 -7.254 -11.357 1265 HG1 THR 71 HG1 THR 71 -12.095 -8.699 -9.814 1266 1HG2 THR 71 1HG2 THR 71 -10.668 -9.169 -12.855 1267 2HG2 THR 71 2HG2 THR 71 -12.193 -8.444 -12.344 1268 3HG2 THR 71 3HG2 THR 71 -11.639 -9.947 -11.607 1269 H ASN 72 HN ASN 72 -8.495 -6.605 -10.361 1270 HA ASN 72 HA ASN 72 -7.717 -6.809 -7.483 1271 1HB ASN 72 2HB ASN 72 -5.836 -6.165 -8.736 1272 2HB ASN 72 1HB ASN 72 -6.795 -5.241 -9.877 1273 1HD2 ASN 72 1HD2 ASN 72 -5.653 -3.233 -9.614 1274 2HD2 ASN 72 2HD2 ASN 72 -5.666 -2.366 -8.150 1275 H LEU 73 HN LEU 73 -10.462 -6.436 -8.821 1276 HA LEU 73 HA LEU 73 -11.262 -3.679 -8.356 1277 1HB LEU 73 2HB LEU 73 -12.702 -6.338 -8.587 1278 2HB LEU 73 1HB LEU 73 -13.547 -4.798 -8.446 1279 HG LEU 73 HG LEU 73 -11.496 -5.389 -10.604 1280 1HD1 LEU 73 1HD1 LEU 73 -13.127 -6.206 -11.969 1281 2HD1 LEU 73 2HD1 LEU 73 -14.364 -5.143 -11.295 1282 3HD1 LEU 73 3HD1 LEU 73 -13.913 -6.623 -10.446 1283 1HD2 LEU 73 1HD2 LEU 73 -13.615 -3.330 -10.896 1284 2HD2 LEU 73 2HD2 LEU 73 -11.921 -3.278 -11.384 1285 3HD2 LEU 73 3HD2 LEU 73 -12.363 -2.978 -9.703 1286 H GLY 74 HN GLY 74 -11.350 -6.670 -6.402 1287 1HA GLY 74 2HA GLY 74 -12.871 -5.879 -4.236 1288 2HA GLY 74 1HA GLY 74 -11.474 -6.933 -4.077 1289 H ASP 75 HN ASP 75 -9.781 -4.608 -5.170 1290 HA ASP 75 HA ASP 75 -8.817 -3.753 -2.628 1291 1HB ASP 75 2HB ASP 75 -7.283 -2.451 -3.974 1292 2HB ASP 75 1HB ASP 75 -7.611 -3.952 -4.838 1293 H LEU 76 HN LEU 76 -11.351 -2.482 -4.610 1294 HA LEU 76 HA LEU 76 -11.217 0.284 -4.053 1295 1HB LEU 76 2HB LEU 76 -13.587 -1.552 -4.443 1296 2HB LEU 76 1HB LEU 76 -13.650 0.202 -4.585 1297 HG LEU 76 HG LEU 76 -11.839 -1.586 -6.231 1298 1HD1 LEU 76 1HD1 LEU 76 -13.617 -0.347 -7.941 1299 2HD1 LEU 76 2HD1 LEU 76 -14.636 -0.740 -6.557 1300 3HD1 LEU 76 3HD1 LEU 76 -13.744 -2.016 -7.387 1301 1HD2 LEU 76 1HD2 LEU 76 -10.818 0.330 -6.836 1302 2HD2 LEU 76 2HD2 LEU 76 -11.789 1.191 -5.639 1303 3HD2 LEU 76 3HD2 LEU 76 -12.366 1.036 -7.300 1304 H LYS 77 HN LYS 77 -11.962 1.557 -2.407 1305 HA LYS 77 HA LYS 77 -13.458 0.315 -0.142 1306 1HB LYS 77 2HB LYS 77 -10.869 1.894 -0.008 1307 2HB LYS 77 1HB LYS 77 -11.890 1.605 1.399 1308 1HG LYS 77 2HG LYS 77 -11.667 -0.830 1.065 1309 2HG LYS 77 1HG LYS 77 -10.642 -0.543 -0.342 1310 1HD LYS 77 2HD LYS 77 -9.014 0.645 1.084 1311 2HD LYS 77 1HD LYS 77 -10.035 0.356 2.492 1312 1HE LYS 77 2HE LYS 77 -8.437 -1.399 2.590 1313 2HE LYS 77 1HE LYS 77 -9.838 -2.167 1.818 1314 1HZ LYS 77 1HZ LYS 77 -7.428 -2.174 0.715 1315 2HZ LYS 77 2HZ LYS 77 -8.012 -0.713 0.074 1316 3HZ LYS 77 3HZ LYS 77 -8.853 -2.162 -0.205 1317 H VAL 78 HN VAL 78 -15.019 1.738 0.665 1318 HA VAL 78 HA VAL 78 -15.780 4.008 -0.867 1319 HB VAL 78 HB VAL 78 -16.403 3.459 2.050 1320 1HG1 VAL 78 1HG1 VAL 78 -17.242 5.458 0.245 1321 2HG1 VAL 78 2HG1 VAL 78 -17.958 5.074 1.812 1322 3HG1 VAL 78 3HG1 VAL 78 -18.590 4.315 0.347 1323 1HG2 VAL 78 1HG2 VAL 78 -16.820 1.391 0.998 1324 2HG2 VAL 78 2HG2 VAL 78 -17.365 2.161 -0.493 1325 3HG2 VAL 78 3HG2 VAL 78 -18.380 2.208 0.950 1326 H GLY 79 HN GLY 79 -15.657 6.253 -0.353 1327 1HA GLY 79 2HA GLY 79 -14.788 8.168 0.778 1328 2HA GLY 79 1HA GLY 79 -13.814 7.099 1.791 1329 H ASP 80 HN ASP 80 -13.196 5.689 -0.937 1330 HA ASP 80 HA ASP 80 -10.834 7.388 -1.590 1331 1HB ASP 80 2HB ASP 80 -10.852 4.845 -1.046 1332 2HB ASP 80 1HB ASP 80 -11.520 4.651 -2.664 1333 H TRP 81 HN TRP 81 -10.341 7.480 -4.033 1334 HA TRP 81 HA TRP 81 -12.903 7.709 -5.576 1335 1HB TRP 81 2HB TRP 81 -10.342 9.316 -5.630 1336 2HB TRP 81 1HB TRP 81 -11.516 9.391 -6.938 1337 HD1 TRP 81 HD1 TRP 81 -11.924 9.394 -3.083 1338 HE1 TRP 81 HE1 TRP 81 -13.491 11.332 -2.451 1339 HE3 TRP 81 HE3 TRP 81 -12.770 11.391 -7.710 1340 HZ2 TRP 81 HZ2 TRP 81 -14.911 13.458 -3.727 1341 HZ3 TRP 81 HZ3 TRP 81 -14.237 13.376 -7.972 1342 HH2 TRP 81 HH2 TRP 81 -15.308 14.407 -5.984 1343 H VAL 82 HN VAL 82 -12.616 7.295 -7.925 1344 HA VAL 82 HA VAL 82 -10.489 5.251 -8.467 1345 HB VAL 82 HB VAL 82 -12.511 4.071 -8.071 1346 1HG1 VAL 82 1HG1 VAL 82 -13.694 6.520 -9.228 1347 2HG1 VAL 82 2HG1 VAL 82 -14.330 5.458 -7.971 1348 3HG1 VAL 82 3HG1 VAL 82 -14.520 5.027 -9.671 1349 1HG2 VAL 82 1HG2 VAL 82 -11.357 3.974 -10.528 1350 2HG2 VAL 82 2HG2 VAL 82 -13.016 4.394 -10.967 1351 3HG2 VAL 82 3HG2 VAL 82 -12.692 2.927 -10.039 1352 H ASN 83 HN ASN 83 -9.645 5.294 -10.543 1353 HA ASN 83 HA ASN 83 -10.076 7.612 -12.263 1354 1HB ASN 83 2HB ASN 83 -8.367 5.252 -11.981 1355 2HB ASN 83 1HB ASN 83 -8.767 5.573 -13.656 1356 1HD2 ASN 83 1HD2 ASN 83 -6.251 6.070 -13.544 1357 2HD2 ASN 83 2HD2 ASN 83 -5.837 7.682 -13.206 1358 H VAL 84 HN VAL 84 -12.166 7.664 -13.140 1359 HA VAL 84 HA VAL 84 -13.252 5.088 -14.195 1360 HB VAL 84 HB VAL 84 -15.396 6.700 -14.216 1361 1HG1 VAL 84 1HG1 VAL 84 -14.329 5.567 -11.623 1362 2HG1 VAL 84 2HG1 VAL 84 -14.907 4.550 -12.946 1363 3HG1 VAL 84 3HG1 VAL 84 -16.010 5.677 -12.153 1364 1HG2 VAL 84 1HG2 VAL 84 -15.381 8.369 -12.546 1365 2HG2 VAL 84 2HG2 VAL 84 -13.845 8.606 -13.378 1366 3HG2 VAL 84 3HG2 VAL 84 -13.887 7.764 -11.829 1367 H GLU 85 HN GLU 85 -13.819 4.854 -16.294 1368 HA GLU 85 HA GLU 85 -13.670 7.242 -18.099 1369 1HB GLU 85 2HB GLU 85 -11.506 6.047 -18.086 1370 2HB GLU 85 1HB GLU 85 -12.335 4.543 -18.496 1371 1HG GLU 85 2HG GLU 85 -13.085 5.482 -20.616 1372 2HG GLU 85 1HG GLU 85 -12.389 7.049 -20.202 1373 H ARG 86 HN ARG 86 -15.068 7.100 -19.907 1374 HA ARG 86 HA ARG 86 -17.338 5.294 -19.534 1375 1HB ARG 86 2HB ARG 86 -17.660 7.641 -20.036 1376 2HB ARG 86 1HB ARG 86 -16.663 7.513 -21.485 1377 1HG ARG 86 2HG ARG 86 -18.295 5.958 -22.480 1378 2HG ARG 86 1HG ARG 86 -19.292 6.069 -21.029 1379 1HD ARG 86 2HD ARG 86 -19.588 8.494 -21.405 1380 2HD ARG 86 1HD ARG 86 -18.593 8.389 -22.869 1381 HE ARG 86 HE ARG 86 -21.333 7.378 -22.578 1382 1HH1 ARG 86 1HH1 ARG 86 -18.307 7.180 -24.243 1383 2HH1 ARG 86 2HH1 ARG 86 -19.002 6.525 -25.686 1384 1HH2 ARG 86 1HH2 ARG 86 -22.240 6.519 -24.456 1385 2HH2 ARG 86 2HH2 ARG 86 -21.221 6.149 -25.806 1386 H ALA 87 HN ALA 87 -17.728 3.443 -20.664 1387 HA ALA 87 HA ALA 87 -16.231 2.974 -23.225 1388 1HB ALA 87 1HB ALA 87 -15.942 1.622 -20.856 1389 2HB ALA 87 2HB ALA 87 -15.605 0.927 -22.440 1390 3HB ALA 87 3HB ALA 87 -17.165 0.647 -21.670 1391 H ALA 88 HN ALA 88 -17.465 1.955 -24.889 1392 HA ALA 88 HA ALA 88 -20.432 2.002 -24.415 1393 1HB ALA 88 1HB ALA 88 -20.179 3.573 -26.051 1394 2HB ALA 88 2HB ALA 88 -20.050 2.179 -27.124 1395 3HB ALA 88 3HB ALA 88 -18.591 2.962 -26.516 1396 H LYS 89 HN LYS 89 -21.599 0.172 -24.892 1397 HA LYS 89 HA LYS 89 -20.357 -2.369 -25.155 1398 1HB LYS 89 2HB LYS 89 -23.145 -1.419 -25.901 1399 2HB LYS 89 1HB LYS 89 -22.687 -3.097 -25.607 1400 1HG LYS 89 2HG LYS 89 -22.577 -0.820 -23.609 1401 2HG LYS 89 1HG LYS 89 -23.684 -2.193 -23.579 1402 1HD LYS 89 2HD LYS 89 -21.619 -3.687 -23.475 1403 2HD LYS 89 1HD LYS 89 -20.689 -2.219 -23.167 1404 1HE LYS 89 2HE LYS 89 -21.181 -2.881 -20.979 1405 2HE LYS 89 1HE LYS 89 -22.576 -1.835 -21.314 1406 1HZ LYS 89 1HZ LYS 89 -23.242 -4.045 -20.494 1407 2HZ LYS 89 2HZ LYS 89 -22.486 -4.760 -21.836 1408 3HZ LYS 89 3HZ LYS 89 -23.824 -3.737 -22.057 1409 H PHE 90 HN PHE 90 -21.767 -0.210 -27.616 1410 HA PHE 90 HA PHE 90 -20.248 -1.683 -29.707 1411 1HB PHE 90 2HB PHE 90 -22.326 -1.842 -31.056 1412 2HB PHE 90 1HB PHE 90 -22.477 -2.705 -29.528 1413 HD1 PHE 90 HD1 PHE 90 -23.886 -1.857 -27.720 1414 HD2 PHE 90 HD2 PHE 90 -23.511 0.271 -31.436 1415 HE1 PHE 90 HE1 PHE 90 -25.844 -0.458 -27.116 1416 HE2 PHE 90 HE2 PHE 90 -25.471 1.670 -30.833 1417 HZ PHE 90 HZ PHE 90 -26.638 1.305 -28.672 1418 H SER 91 HN SER 91 -19.931 -0.399 -31.629 1419 HA SER 91 HA SER 91 -20.816 2.453 -31.474 1420 1HB SER 91 2HB SER 91 -17.991 1.430 -31.895 1421 2HB SER 91 1HB SER 91 -18.477 3.121 -31.976 1422 HG SER 91 HG SER 91 -18.875 3.116 -29.837 1423 H ASP 92 HN ASP 92 -20.967 3.461 -33.545 1424 HA ASP 92 HA ASP 92 -21.509 1.807 -35.829 1425 1HB ASP 92 2HB ASP 92 -20.897 4.749 -35.429 1426 2HB ASP 92 1HB ASP 92 -21.408 4.078 -36.978 1427 H GLU 93 HN GLU 93 -18.666 3.662 -34.818 1428 HA GLU 93 HA GLU 93 -16.373 3.555 -35.580 1429 1HB GLU 93 2HB GLU 93 -17.564 0.848 -36.221 1430 2HB GLU 93 1HB GLU 93 -15.839 1.192 -36.343 1431 1HG GLU 93 2HG GLU 93 -15.811 1.853 -33.962 1432 2HG GLU 93 1HG GLU 93 -17.535 1.493 -33.846 1433 H ILE 94 HN ILE 94 -17.829 5.018 -37.347 1434 HA ILE 94 HA ILE 94 -17.883 4.115 -40.071 1435 HB ILE 94 HB ILE 94 -17.500 6.817 -38.743 1436 1HG1 ILE 94 2HG1 ILE 94 -19.650 5.690 -38.305 1437 2HG1 ILE 94 1HG1 ILE 94 -19.886 7.091 -39.350 1438 1HG2 ILE 94 1HG2 ILE 94 -17.034 6.132 -41.451 1439 2HG2 ILE 94 2HG2 ILE 94 -17.169 7.751 -40.764 1440 3HG2 ILE 94 3HG2 ILE 94 -18.599 6.944 -41.408 1441 1HD1 ILE 94 1HD1 ILE 94 -21.078 5.544 -40.571 1442 2HD1 ILE 94 2HD1 ILE 94 -20.109 4.187 -39.994 1443 3HD1 ILE 94 3HD1 ILE 94 -19.478 5.250 -41.254 1444 H GLY 95 HN GLY 95 -15.335 5.624 -38.089 1445 1HA GLY 95 2HA GLY 95 -13.062 4.512 -38.791 1446 2HA GLY 95 1HA GLY 95 -13.415 5.285 -40.338 1447 H GLY 96 HN GLY 96 -13.933 7.722 -40.121 1448 1HA GLY 96 2HA GLY 96 -13.058 9.840 -39.608 1449 2HA GLY 96 1HA GLY 96 -13.180 9.304 -37.931 1450 H HIS 97 HN HIS 97 -11.223 10.111 -37.165 1451 HA HIS 97 HA HIS 97 -8.796 8.654 -38.012 1452 1HB HIS 97 2HB HIS 97 -8.845 10.457 -39.611 1453 2HB HIS 97 1HB HIS 97 -9.237 11.633 -38.357 1454 HD1 HIS 97 HD1 HIS 97 -6.422 9.173 -39.144 1455 HD2 HIS 97 HD2 HIS 97 -6.997 12.891 -37.348 1456 HE1 HIS 97 HE1 HIS 97 -4.123 10.028 -38.515 1457 HN3 RBF 98 HN3 RBF 98 4.208 6.545 -13.476 1458 HC6 RBF 98 HC6 RBF 98 3.421 5.042 -20.219 1459 1HC7 RBF 98 1HC7 RBF 98 1.112 5.438 -23.098 1460 2HC7 RBF 98 2HC7 RBF 98 2.392 4.426 -22.393 1461 3HC7 RBF 98 3HC7 RBF 98 2.789 6.024 -23.061 1462 1HC8 RBF 98 1HC8 RBF 98 -0.968 6.636 -22.246 1463 2HC8 RBF 98 2HC8 RBF 98 0.443 7.295 -23.100 1464 3HC8 RBF 98 3HC8 RBF 98 -0.531 8.347 -22.052 1465 HC9 RBF 98 HC9 RBF 98 -0.305 8.270 -19.631 1466 1HC1 RBF 98 1HC1 RBF 98 -0.010 9.060 -16.150 1467 2HC1 RBF 98 2HC1 RBF 98 -0.921 8.301 -17.472 1468 HC2* RBF 98 HC2* RBF 98 -0.427 9.979 -18.927 1469 HO2* RBF 98 HO2* RBF 98 2.187 9.820 -17.770 1470 HC3* RBF 98 HC3* RBF 98 0.154 12.152 -17.817 1471 HO3* RBF 98 HO3* RBF 98 1.463 10.702 -16.144 1472 HC4* RBF 98 HC4* RBF 98 -1.790 10.503 -16.160 1473 HO4* RBF 98 HO4* RBF 98 -2.211 10.085 -18.363 1474 1HC5 RBF 98 1HC5 RBF 98 -1.639 13.411 -17.020 1475 2HC5 RBF 98 2HC5 RBF 98 -3.053 12.685 -16.235 1476 HO5* RBF 98 HO5* RBF 98 -0.868 13.659 -15.051 1477 HN3 RBF 99 HN3 RBF 99 -18.664 -6.412 -12.518 1478 HC6 RBF 99 HC6 RBF 99 -18.109 -5.518 -19.392 1479 1HC7 RBF 99 1HC7 RBF 99 -15.887 -6.149 -22.297 1480 2HC7 RBF 99 2HC7 RBF 99 -17.157 -5.092 -21.646 1481 3HC7 RBF 99 3HC7 RBF 99 -17.554 -6.748 -22.153 1482 1HC8 RBF 99 1HC8 RBF 99 -13.764 -7.244 -21.407 1483 2HC8 RBF 99 2HC8 RBF 99 -15.192 -7.993 -22.152 1484 3HC8 RBF 99 3HC8 RBF 99 -14.171 -8.936 -21.045 1485 HC9 RBF 99 HC9 RBF 99 -14.323 -8.639 -18.635 1486 1HC1 RBF 99 1HC1 RBF 99 -14.498 -9.113 -15.089 1487 2HC1 RBF 99 2HC1 RBF 99 -13.639 -8.469 -16.503 1488 HC2* RBF 99 HC2* RBF 99 -14.160 -10.275 -17.783 1489 HO2* RBF 99 HO2* RBF 99 -16.735 -10.039 -16.560 1490 HC3* RBF 99 HC3* RBF 99 -14.673 -12.345 -16.462 1491 HO3* RBF 99 HO3* RBF 99 -15.948 -10.762 -14.886 1492 HC4* RBF 99 HC4* RBF 99 -12.701 -10.530 -15.027 1493 HO4* RBF 99 HO4* RBF 99 -12.353 -10.311 -17.271 1494 1HC5 RBF 99 1HC5 RBF 99 -12.839 -13.510 -15.614 1495 2HC5 RBF 99 2HC5 RBF 99 -11.411 -12.697 -14.941 1496 HO5* RBF 99 HO5* RBF 99 -13.544 -13.582 -13.606 Start of MODEL 2 1 1H MET 1 1HT MET 1 -15.819 -1.766 -29.697 2 2H MET 1 2HT MET 1 -14.279 -1.054 -29.749 3 3H MET 1 3HT MET 1 -15.319 -0.740 -28.443 4 HA MET 1 HA MET 1 -15.229 -3.298 -28.092 5 1HB MET 1 2HB MET 1 -12.911 -2.589 -29.901 6 2HB MET 1 1HB MET 1 -12.891 -4.031 -28.885 7 1HG MET 1 2HG MET 1 -14.985 -4.804 -29.935 8 2HG MET 1 1HG MET 1 -15.009 -3.365 -30.952 9 1HE MET 1 1HE MET 1 -13.430 -2.609 -32.336 10 2HE MET 1 2HE MET 1 -12.637 -3.615 -33.546 11 3HE MET 1 3HE MET 1 -11.752 -3.122 -32.105 12 H PHE 2 HN PHE 2 -14.178 -3.766 -26.133 13 HA PHE 2 HA PHE 2 -11.788 -2.545 -25.236 14 1HB PHE 2 2HB PHE 2 -12.640 -0.926 -23.660 15 2HB PHE 2 1HB PHE 2 -13.378 -0.568 -25.213 16 HD1 PHE 2 HD1 PHE 2 -13.997 -2.582 -22.101 17 HD2 PHE 2 HD2 PHE 2 -15.717 -0.285 -25.315 18 HE1 PHE 2 HE1 PHE 2 -16.243 -2.821 -21.081 19 HE2 PHE 2 HE2 PHE 2 -17.950 -0.538 -24.290 20 HZ PHE 2 HZ PHE 2 -18.220 -1.808 -22.178 21 H THR 3 HN THR 3 -11.068 -3.748 -23.449 22 HA THR 3 HA THR 3 -13.102 -5.517 -22.141 23 HB THR 3 HB THR 3 -11.573 -7.352 -22.421 24 HG1 THR 3 HG1 THR 3 -9.534 -6.941 -22.344 25 1HG2 THR 3 1HG2 THR 3 -12.530 -5.893 -24.632 26 2HG2 THR 3 2HG2 THR 3 -12.003 -7.577 -24.616 27 3HG2 THR 3 3HG2 THR 3 -10.859 -6.301 -25.025 28 H GLY 4 HN GLY 4 -9.923 -3.943 -21.958 29 1HA GLY 4 2HA GLY 4 -8.658 -3.273 -20.100 30 2HA GLY 4 1HA GLY 4 -10.214 -3.061 -19.294 31 H ILE 5 HN ILE 5 -9.552 -6.180 -20.574 32 HA ILE 5 HA ILE 5 -9.775 -7.327 -17.892 33 HB ILE 5 HB ILE 5 -9.189 -8.628 -20.573 34 1HG1 ILE 5 2HG1 ILE 5 -11.161 -7.121 -20.649 35 2HG1 ILE 5 1HG1 ILE 5 -11.620 -8.812 -20.823 36 1HG2 ILE 5 1HG2 ILE 5 -10.817 -10.318 -19.221 37 2HG2 ILE 5 2HG2 ILE 5 -9.939 -9.596 -17.873 38 3HG2 ILE 5 3HG2 ILE 5 -9.059 -10.418 -19.161 39 1HD1 ILE 5 1HD1 ILE 5 -11.539 -7.869 -18.034 40 2HD1 ILE 5 2HD1 ILE 5 -12.768 -8.816 -18.866 41 3HD1 ILE 5 3HD1 ILE 5 -12.747 -7.060 -19.030 42 H VAL 6 HN VAL 6 -8.010 -7.411 -16.571 43 HA VAL 6 HA VAL 6 -5.299 -7.259 -17.622 44 HB VAL 6 HB VAL 6 -6.746 -7.153 -15.037 45 1HG1 VAL 6 1HG1 VAL 6 -5.132 -8.986 -14.566 46 2HG1 VAL 6 2HG1 VAL 6 -4.739 -7.518 -13.671 47 3HG1 VAL 6 3HG1 VAL 6 -3.817 -7.945 -15.111 48 1HG2 VAL 6 1HG2 VAL 6 -6.051 -5.045 -15.438 49 2HG2 VAL 6 2HG2 VAL 6 -4.919 -5.587 -16.677 50 3HG2 VAL 6 3HG2 VAL 6 -4.438 -5.592 -14.981 51 H GLN 7 HN GLN 7 -3.945 -8.940 -18.033 52 HA GLN 7 HA GLN 7 -4.905 -11.649 -18.020 53 1HB GLN 7 2HB GLN 7 -2.215 -10.337 -18.460 54 2HB GLN 7 1HB GLN 7 -2.488 -12.065 -18.699 55 1HG GLN 7 2HG GLN 7 -4.272 -11.562 -20.330 56 2HG GLN 7 1HG GLN 7 -3.999 -9.835 -20.096 57 1HE2 GLN 7 1HE2 GLN 7 -3.642 -11.251 -22.643 58 2HE2 GLN 7 2HE2 GLN 7 -2.003 -11.112 -23.059 59 H GLY 8 HN GLY 8 -2.903 -9.795 -15.708 60 1HA GLY 8 2HA GLY 8 -2.953 -12.189 -13.929 61 2HA GLY 8 1HA GLY 8 -1.385 -11.528 -14.387 62 H THR 9 HN THR 9 -1.761 -11.519 -11.763 63 HA THR 9 HA THR 9 -2.595 -8.712 -11.113 64 HB THR 9 HB THR 9 -3.010 -9.859 -8.798 65 HG1 THR 9 HG1 THR 9 -3.773 -12.130 -9.578 66 1HG2 THR 9 1HG2 THR 9 -5.289 -10.441 -9.493 67 2HG2 THR 9 2HG2 THR 9 -4.776 -10.492 -11.180 68 3HG2 THR 9 3HG2 THR 9 -4.768 -8.961 -10.301 69 H ALA 10 HN ALA 10 -1.495 -7.969 -9.020 70 HA ALA 10 HA ALA 10 1.325 -8.972 -8.782 71 1HB ALA 10 1HB ALA 10 0.325 -6.600 -10.097 72 2HB ALA 10 2HB ALA 10 1.996 -7.151 -9.947 73 3HB ALA 10 3HB ALA 10 1.289 -6.130 -8.696 74 H LYS 11 HN LYS 11 2.253 -8.509 -6.728 75 HA LYS 11 HA LYS 11 0.264 -7.596 -4.673 76 1HB LYS 11 2HB LYS 11 1.030 -9.908 -4.482 77 2HB LYS 11 1HB LYS 11 2.706 -9.373 -4.519 78 1HG LYS 11 2HG LYS 11 2.384 -8.110 -2.447 79 2HG LYS 11 1HG LYS 11 0.685 -8.578 -2.409 80 1HD LYS 11 2HD LYS 11 1.155 -10.629 -1.576 81 2HD LYS 11 1HD LYS 11 2.519 -10.858 -2.674 82 1HE LYS 11 2HE LYS 11 3.956 -9.479 -1.248 83 2HE LYS 11 1HE LYS 11 2.584 -9.120 -0.178 84 1HZ LYS 11 1HZ LYS 11 4.228 -11.219 0.154 85 2HZ LYS 11 2HZ LYS 11 2.981 -11.930 -0.753 86 3HZ LYS 11 3HZ LYS 11 2.633 -11.163 0.722 87 H LEU 12 HN LEU 12 0.693 -5.521 -4.029 88 HA LEU 12 HA LEU 12 3.178 -4.106 -4.301 89 1HB LEU 12 2HB LEU 12 0.643 -3.466 -3.646 90 2HB LEU 12 1HB LEU 12 1.289 -3.630 -2.029 91 HG LEU 12 HG LEU 12 2.994 -1.964 -2.476 92 1HD1 LEU 12 1HD1 LEU 12 2.285 -2.605 -5.240 93 2HD1 LEU 12 2HD1 LEU 12 3.760 -1.877 -4.604 94 3HD1 LEU 12 3HD1 LEU 12 2.358 -0.866 -4.954 95 1HD2 LEU 12 1HD2 LEU 12 1.084 -0.252 -3.643 96 2HD2 LEU 12 2HD2 LEU 12 1.370 -0.491 -1.920 97 3HD2 LEU 12 3HD2 LEU 12 0.147 -1.452 -2.753 98 H VAL 13 HN VAL 13 5.023 -4.484 -3.201 99 HA VAL 13 HA VAL 13 4.820 -5.886 -0.559 100 HB VAL 13 HB VAL 13 5.867 -7.365 -2.037 101 1HG1 VAL 13 1HG1 VAL 13 7.944 -6.221 -3.379 102 2HG1 VAL 13 2HG1 VAL 13 6.761 -4.915 -3.387 103 3HG1 VAL 13 3HG1 VAL 13 6.339 -6.493 -4.064 104 1HG2 VAL 13 1HG2 VAL 13 7.930 -7.680 -1.063 105 2HG2 VAL 13 2HG2 VAL 13 7.297 -6.451 0.032 106 3HG2 VAL 13 3HG2 VAL 13 8.390 -5.991 -1.272 107 H SER 14 HN SER 14 6.238 -3.296 -2.429 108 HA SER 14 HA SER 14 7.044 -1.962 0.116 109 1HB SER 14 2HB SER 14 8.774 -3.495 -1.554 110 2HB SER 14 1HB SER 14 9.254 -1.806 -1.680 111 HG SER 14 HG SER 14 9.038 -3.437 0.620 112 H ILE 15 HN ILE 15 7.324 0.297 -0.109 113 HA ILE 15 HA ILE 15 6.705 1.436 -2.819 114 HB ILE 15 HB ILE 15 6.359 2.729 -0.098 115 1HG1 ILE 15 2HG1 ILE 15 4.373 1.236 -1.832 116 2HG1 ILE 15 1HG1 ILE 15 4.924 0.784 -0.224 117 1HG2 ILE 15 1HG2 ILE 15 5.736 3.453 -2.939 118 2HG2 ILE 15 2HG2 ILE 15 6.358 4.468 -1.637 119 3HG2 ILE 15 3HG2 ILE 15 4.649 4.021 -1.670 120 1HD1 ILE 15 1HD1 ILE 15 3.196 1.967 0.609 121 2HD1 ILE 15 2HD1 ILE 15 2.827 2.644 -0.978 122 3HD1 ILE 15 3HD1 ILE 15 4.027 3.421 0.055 123 H ASP 16 HN ASP 16 8.307 2.668 -3.699 124 HA ASP 16 HA ASP 16 10.591 3.492 -1.956 125 1HB ASP 16 2HB ASP 16 10.267 2.815 -4.878 126 2HB ASP 16 1HB ASP 16 11.687 3.686 -4.297 127 H GLU 17 HN GLU 17 10.392 5.642 -1.397 128 HA GLU 17 HA GLU 17 8.922 7.444 -3.273 129 1HB GLU 17 2HB GLU 17 8.108 7.177 -0.959 130 2HB GLU 17 1HB GLU 17 9.682 7.681 -0.342 131 1HG GLU 17 2HG GLU 17 9.417 9.872 -1.447 132 2HG GLU 17 1HG GLU 17 7.841 9.371 -2.061 133 H LYS 18 HN LYS 18 10.380 8.430 -4.656 134 HA LYS 18 HA LYS 18 12.896 9.558 -3.491 135 1HB LYS 18 2HB LYS 18 12.155 9.581 -6.413 136 2HB LYS 18 1HB LYS 18 13.755 9.513 -5.681 137 1HG LYS 18 2HG LYS 18 12.490 7.195 -4.766 138 2HG LYS 18 1HG LYS 18 11.986 7.329 -6.451 139 1HD LYS 18 2HD LYS 18 14.769 7.988 -6.288 140 2HD LYS 18 1HD LYS 18 14.508 6.463 -5.441 141 1HE LYS 18 2HE LYS 18 12.941 6.190 -7.726 142 2HE LYS 18 1HE LYS 18 14.401 7.012 -8.313 143 1HZ LYS 18 1HZ LYS 18 14.174 4.442 -6.888 144 2HZ LYS 18 2HZ LYS 18 15.603 5.352 -6.770 145 3HZ LYS 18 3HZ LYS 18 15.060 4.810 -8.286 146 HA PRO 19 HA PRO 19 10.723 13.403 -3.150 147 1HB PRO 19 2HB PRO 19 13.063 14.956 -3.488 148 2HB PRO 19 1HB PRO 19 12.379 14.407 -1.947 149 1HG PRO 19 2HG PRO 19 14.600 13.262 -3.542 150 2HG PRO 19 1HG PRO 19 14.367 13.299 -1.788 151 1HD PRO 19 2HD PRO 19 14.007 11.052 -3.205 152 2HD PRO 19 1HD PRO 19 12.984 11.439 -1.800 153 H ASN 20 HN ASN 20 12.974 12.635 -5.749 154 HA ASN 20 HA ASN 20 12.031 14.759 -7.539 155 1HB ASN 20 2HB ASN 20 13.477 12.192 -8.232 156 2HB ASN 20 1HB ASN 20 13.560 13.742 -9.071 157 1HD2 ASN 20 1HD2 ASN 20 14.979 11.836 -6.571 158 2HD2 ASN 20 2HD2 ASN 20 16.023 13.021 -5.957 159 H PHE 21 HN PHE 21 11.441 11.278 -7.086 160 HA PHE 21 HA PHE 21 8.860 11.536 -8.529 161 1HB PHE 21 2HB PHE 21 11.002 9.531 -9.314 162 2HB PHE 21 1HB PHE 21 9.451 9.784 -10.112 163 HD1 PHE 21 HD1 PHE 21 9.029 11.799 -11.458 164 HD2 PHE 21 HD2 PHE 21 12.841 11.099 -9.605 165 HE1 PHE 21 HE1 PHE 21 10.044 13.561 -12.882 166 HE2 PHE 21 HE2 PHE 21 13.858 12.861 -11.027 167 HZ PHE 21 HZ PHE 21 12.459 14.092 -12.667 168 H ARG 22 HN ARG 22 7.394 9.826 -7.930 169 HA ARG 22 HA ARG 22 8.194 8.317 -5.506 170 1HB ARG 22 2HB ARG 22 6.045 9.607 -5.705 171 2HB ARG 22 1HB ARG 22 5.541 8.471 -6.957 172 1HG ARG 22 2HG ARG 22 5.603 6.622 -5.422 173 2HG ARG 22 1HG ARG 22 6.372 7.609 -4.179 174 1HD ARG 22 2HD ARG 22 4.372 8.984 -3.955 175 2HD ARG 22 1HD ARG 22 3.596 8.127 -5.301 176 HE ARG 22 HE ARG 22 4.284 6.071 -3.623 177 1HH1 ARG 22 1HH1 ARG 22 2.674 9.097 -3.178 178 2HH1 ARG 22 2HH1 ARG 22 1.688 8.525 -1.875 179 1HH2 ARG 22 1HH2 ARG 22 3.000 5.318 -1.926 180 2HH2 ARG 22 2HH2 ARG 22 1.871 6.391 -1.168 181 H THR 23 HN THR 23 8.250 6.068 -5.453 182 HA THR 23 HA THR 23 8.028 4.638 -8.075 183 HB THR 23 HB THR 23 10.067 4.364 -5.843 184 HG1 THR 23 HG1 THR 23 10.020 5.669 -8.327 185 1HG2 THR 23 1HG2 THR 23 11.214 3.006 -7.759 186 2HG2 THR 23 2HG2 THR 23 9.581 2.873 -8.409 187 3HG2 THR 23 3HG2 THR 23 9.948 2.233 -6.807 188 H HIS 24 HN HIS 24 6.937 2.664 -7.939 189 HA HIS 24 HA HIS 24 6.322 1.638 -5.195 190 1HB HIS 24 2HB HIS 24 4.627 2.601 -7.356 191 2HB HIS 24 1HB HIS 24 4.194 0.967 -6.852 192 HD1 HIS 24 HD1 HIS 24 3.112 4.164 -6.085 193 HD2 HIS 24 HD2 HIS 24 4.597 1.111 -3.671 194 HE1 HIS 24 HE1 HIS 24 2.357 4.684 -3.720 195 H VAL 25 HN VAL 25 6.635 -0.569 -4.947 196 HA VAL 25 HA VAL 25 7.360 -2.091 -7.423 197 HB VAL 25 HB VAL 25 8.303 -2.558 -4.596 198 1HG1 VAL 25 1HG1 VAL 25 8.619 -3.956 -7.039 199 2HG1 VAL 25 2HG1 VAL 25 9.428 -4.279 -5.506 200 3HG1 VAL 25 3HG1 VAL 25 10.173 -3.202 -6.687 201 1HG2 VAL 25 1HG2 VAL 25 8.936 -0.376 -6.395 202 2HG2 VAL 25 2HG2 VAL 25 10.367 -1.367 -6.113 203 3HG2 VAL 25 3HG2 VAL 25 9.507 -0.651 -4.749 204 H VAL 26 HN VAL 26 6.258 -3.931 -7.797 205 HA VAL 26 HA VAL 26 4.498 -5.026 -5.629 206 HB VAL 26 HB VAL 26 3.039 -5.709 -7.497 207 1HG1 VAL 26 1HG1 VAL 26 2.127 -3.657 -7.326 208 2HG1 VAL 26 2HG1 VAL 26 3.312 -3.039 -8.473 209 3HG1 VAL 26 3HG1 VAL 26 3.669 -3.023 -6.749 210 1HG2 VAL 26 1HG2 VAL 26 5.103 -5.945 -9.057 211 2HG2 VAL 26 2HG2 VAL 26 4.881 -4.223 -9.365 212 3HG2 VAL 26 3HG2 VAL 26 3.596 -5.363 -9.763 213 H GLU 27 HN GLU 27 4.016 -7.452 -6.106 214 HA GLU 27 HA GLU 27 6.584 -8.847 -6.691 215 1HB GLU 27 2HB GLU 27 5.003 -8.828 -4.501 216 2HB GLU 27 1HB GLU 27 4.213 -10.105 -5.417 217 1HG GLU 27 2HG GLU 27 6.131 -11.472 -5.412 218 2HG GLU 27 1HG GLU 27 7.196 -10.124 -5.013 219 H LEU 28 HN LEU 28 6.606 -9.732 -8.702 220 HA LEU 28 HA LEU 28 4.157 -9.941 -10.244 221 1HB LEU 28 2HB LEU 28 6.688 -9.254 -10.750 222 2HB LEU 28 1HB LEU 28 6.814 -10.962 -11.154 223 HG LEU 28 HG LEU 28 5.030 -10.765 -12.793 224 1HD1 LEU 28 1HD1 LEU 28 4.431 -8.385 -11.249 225 2HD1 LEU 28 2HD1 LEU 28 3.422 -9.224 -12.428 226 3HD1 LEU 28 3HD1 LEU 28 4.563 -7.990 -12.963 227 1HD2 LEU 28 1HD2 LEU 28 7.258 -8.753 -12.878 228 2HD2 LEU 28 2HD2 LEU 28 6.050 -8.750 -14.161 229 3HD2 LEU 28 3HD2 LEU 28 7.019 -10.189 -13.870 230 HA PRO 29 HA PRO 29 3.450 -14.203 -9.135 231 1HB PRO 29 2HB PRO 29 1.478 -14.635 -11.004 232 2HB PRO 29 1HB PRO 29 1.206 -13.882 -9.424 233 1HG PRO 29 2HG PRO 29 1.473 -12.621 -12.096 234 2HG PRO 29 1HG PRO 29 0.461 -12.157 -10.720 235 1HD PRO 29 2HD PRO 29 2.758 -10.869 -11.386 236 2HD PRO 29 1HD PRO 29 2.134 -10.956 -9.726 237 H ASP 30 HN ASP 30 3.194 -16.311 -10.503 238 HA ASP 30 HA ASP 30 5.586 -16.730 -11.931 239 1HB ASP 30 2HB ASP 30 4.238 -18.449 -10.796 240 2HB ASP 30 1HB ASP 30 2.961 -18.250 -11.995 241 H HIS 31 HN HIS 31 2.300 -16.103 -13.209 242 HA HIS 31 HA HIS 31 3.285 -16.443 -15.962 243 1HB HIS 31 2HB HIS 31 0.929 -16.227 -16.532 244 2HB HIS 31 1HB HIS 31 1.083 -17.288 -15.138 245 HD1 HIS 31 HD1 HIS 31 1.654 -14.375 -13.444 246 HD2 HIS 31 HD2 HIS 31 -1.746 -15.758 -15.408 247 HE1 HIS 31 HE1 HIS 31 -0.313 -13.137 -12.432 248 H MET 32 HN MET 32 3.434 -13.935 -13.820 249 HA MET 32 HA MET 32 3.355 -11.912 -16.038 250 1HB MET 32 2HB MET 32 3.005 -11.692 -13.036 251 2HB MET 32 1HB MET 32 3.207 -10.286 -14.083 252 1HG MET 32 2HG MET 32 1.024 -12.372 -14.344 253 2HG MET 32 1HG MET 32 0.814 -10.753 -13.679 254 1HE MET 32 1HE MET 32 2.565 -8.846 -15.586 255 2HE MET 32 2HE MET 32 1.017 -8.686 -14.760 256 3HE MET 32 3HE MET 32 1.128 -8.342 -16.484 257 H LEU 33 HN LEU 33 5.299 -13.724 -13.896 258 HA LEU 33 HA LEU 33 7.568 -11.937 -13.629 259 1HB LEU 33 2HB LEU 33 6.970 -14.865 -13.321 260 2HB LEU 33 1HB LEU 33 8.646 -14.318 -13.274 261 HG LEU 33 HG LEU 33 6.502 -13.031 -11.568 262 1HD1 LEU 33 1HD1 LEU 33 8.119 -15.529 -11.113 263 2HD1 LEU 33 2HD1 LEU 33 6.422 -15.224 -10.741 264 3HD1 LEU 33 3HD1 LEU 33 7.687 -14.499 -9.748 265 1HD2 LEU 33 1HD2 LEU 33 8.285 -12.007 -10.477 266 2HD2 LEU 33 2HD2 LEU 33 8.896 -12.076 -12.130 267 3HD2 LEU 33 3HD2 LEU 33 9.427 -13.268 -10.943 268 H ASP 34 HN ASP 34 6.569 -14.396 -15.974 269 HA ASP 34 HA ASP 34 9.073 -14.258 -17.483 270 1HB ASP 34 2HB ASP 34 6.380 -15.592 -17.740 271 2HB ASP 34 1HB ASP 34 7.579 -15.714 -19.031 272 H GLY 35 HN GLY 35 9.435 -13.071 -19.349 273 1HA GLY 35 2HA GLY 35 8.817 -11.948 -21.357 274 2HA GLY 35 1HA GLY 35 7.149 -11.902 -20.791 275 H LEU 36 HN LEU 36 7.606 -10.695 -18.246 276 HA LEU 36 HA LEU 36 7.651 -7.931 -19.079 277 1HB LEU 36 2HB LEU 36 6.315 -9.002 -17.218 278 2HB LEU 36 1HB LEU 36 7.809 -9.095 -16.285 279 HG LEU 36 HG LEU 36 6.937 -6.480 -17.493 280 1HD1 LEU 36 1HD1 LEU 36 5.341 -6.096 -15.921 281 2HD1 LEU 36 2HD1 LEU 36 6.258 -6.919 -14.658 282 3HD1 LEU 36 3HD1 LEU 36 5.280 -7.854 -15.790 283 1HD2 LEU 36 1HD2 LEU 36 8.820 -5.811 -16.456 284 2HD2 LEU 36 2HD2 LEU 36 9.072 -7.440 -15.825 285 3HD2 LEU 36 3HD2 LEU 36 8.112 -6.277 -14.910 286 H GLU 37 HN GLU 37 9.222 -6.342 -18.682 287 HA GLU 37 HA GLU 37 11.755 -7.087 -17.331 288 1HB GLU 37 2HB GLU 37 13.038 -6.434 -19.358 289 2HB GLU 37 1HB GLU 37 11.977 -7.805 -19.684 290 1HG GLU 37 2HG GLU 37 10.288 -6.276 -20.635 291 2HG GLU 37 1HG GLU 37 11.352 -4.905 -20.316 292 H THR 38 HN THR 38 13.181 -5.068 -17.151 293 HA THR 38 HA THR 38 11.651 -2.868 -16.148 294 HB THR 38 HB THR 38 14.201 -1.926 -16.645 295 HG1 THR 38 HG1 THR 38 15.239 -4.082 -15.866 296 1HG2 THR 38 1HG2 THR 38 13.488 -1.717 -14.464 297 2HG2 THR 38 2HG2 THR 38 14.592 -3.080 -14.286 298 3HG2 THR 38 3HG2 THR 38 12.855 -3.362 -14.406 299 H GLY 39 HN GLY 39 11.420 -0.724 -17.030 300 1HA GLY 39 2HA GLY 39 11.262 0.903 -18.736 301 2HA GLY 39 1HA GLY 39 12.208 -0.147 -19.786 302 H ALA 40 HN ALA 40 9.943 -2.153 -18.574 303 HA ALA 40 HA ALA 40 8.275 -2.090 -20.978 304 1HB ALA 40 1HB ALA 40 8.807 -4.205 -19.992 305 2HB ALA 40 2HB ALA 40 7.114 -3.923 -19.585 306 3HB ALA 40 3HB ALA 40 8.372 -3.638 -18.378 307 H SER 41 HN SER 41 5.931 -1.650 -20.904 308 HA SER 41 HA SER 41 5.216 0.305 -18.767 309 1HB SER 41 2HB SER 41 3.161 0.292 -20.539 310 2HB SER 41 1HB SER 41 4.604 1.277 -20.743 311 HG SER 41 HG SER 41 5.254 0.004 -22.302 312 H VAL 42 HN VAL 42 4.488 -0.870 -17.005 313 HA VAL 42 HA VAL 42 2.660 -3.165 -17.378 314 HB VAL 42 HB VAL 42 4.233 -1.879 -15.188 315 1HG1 VAL 42 1HG1 VAL 42 2.449 -1.860 -13.776 316 2HG1 VAL 42 2HG1 VAL 42 2.714 -3.604 -13.733 317 3HG1 VAL 42 3HG1 VAL 42 1.496 -2.925 -14.812 318 1HG2 VAL 42 1HG2 VAL 42 3.615 -4.722 -15.076 319 2HG2 VAL 42 2HG2 VAL 42 5.189 -3.924 -15.141 320 3HG2 VAL 42 3HG2 VAL 42 4.298 -4.245 -16.631 321 H ALA 43 HN ALA 43 0.470 -2.930 -17.303 322 HA ALA 43 HA ALA 43 -0.646 -0.264 -16.568 323 1HB ALA 43 1HB ALA 43 -2.593 -2.147 -17.507 324 2HB ALA 43 2HB ALA 43 -1.183 -2.242 -18.562 325 3HB ALA 43 3HB ALA 43 -2.004 -0.698 -18.320 326 H HIS 44 HN HIS 44 -1.360 -0.129 -14.494 327 HA HIS 44 HA HIS 44 -1.937 -2.602 -12.955 328 1HB HIS 44 2HB HIS 44 -1.317 0.277 -12.423 329 2HB HIS 44 1HB HIS 44 -2.240 -0.595 -11.199 330 HD1 HIS 44 HD1 HIS 44 0.619 -1.906 -13.375 331 HD2 HIS 44 HD2 HIS 44 -0.303 -1.262 -9.353 332 HE1 HIS 44 HE1 HIS 44 2.542 -2.862 -12.028 333 HE2 HIS 44 HE2 HIS 44 1.980 -2.479 -9.594 334 H ASN 45 HN ASN 45 -3.948 -3.297 -13.458 335 HA ASN 45 HA ASN 45 -6.257 -3.332 -13.806 336 1HB ASN 45 2HB ASN 45 -5.857 -2.028 -11.505 337 2HB ASN 45 1HB ASN 45 -6.534 -0.692 -12.443 338 1HD2 ASN 45 1HD2 ASN 45 -7.302 -3.669 -10.815 339 2HD2 ASN 45 2HD2 ASN 45 -8.934 -3.736 -11.251 340 H GLY 46 HN GLY 46 -4.216 -1.364 -15.366 341 1HA GLY 46 2HA GLY 46 -5.012 -0.857 -17.667 342 2HA GLY 46 1HA GLY 46 -6.426 -0.117 -16.927 343 H CYS 47 HN CYS 47 -3.812 0.723 -14.994 344 HA CYS 47 HA CYS 47 -3.566 3.349 -16.405 345 1HB CYS 47 2HB CYS 47 -4.151 3.046 -13.907 346 2HB CYS 47 1HB CYS 47 -2.463 2.595 -13.687 347 HG CYS 47 HG CYS 47 -3.489 5.423 -14.392 348 H CYS 48 HN CYS 48 -1.897 3.371 -17.853 349 HA CYS 48 HA CYS 48 0.173 1.360 -17.773 350 1HB CYS 48 2HB CYS 48 0.892 2.527 -19.849 351 2HB CYS 48 1HB CYS 48 -0.847 2.228 -19.828 352 HG CYS 48 HG CYS 48 -0.713 4.878 -18.716 353 H LEU 49 HN LEU 49 2.066 1.477 -16.711 354 HA LEU 49 HA LEU 49 3.495 4.075 -16.584 355 1HB LEU 49 2HB LEU 49 4.097 3.393 -14.156 356 2HB LEU 49 1HB LEU 49 2.482 4.039 -14.441 357 HG LEU 49 HG LEU 49 2.724 1.114 -14.790 358 1HD1 LEU 49 1HD1 LEU 49 3.777 2.448 -12.436 359 2HD1 LEU 49 2HD1 LEU 49 3.799 0.727 -12.842 360 3HD1 LEU 49 3HD1 LEU 49 2.402 1.419 -12.016 361 1HD2 LEU 49 1HD2 LEU 49 0.520 1.169 -14.081 362 2HD2 LEU 49 2HD2 LEU 49 0.665 2.834 -14.642 363 3HD2 LEU 49 3HD2 LEU 49 0.820 2.468 -12.924 364 H THR 50 HN THR 50 5.862 3.688 -16.126 365 HA THR 50 HA THR 50 6.658 1.189 -17.517 366 HB THR 50 HB THR 50 8.169 3.758 -16.951 367 HG1 THR 50 HG1 THR 50 6.312 4.052 -18.243 368 1HG2 THR 50 1HG2 THR 50 9.872 2.344 -17.569 369 2HG2 THR 50 2HG2 THR 50 9.284 2.740 -19.183 370 3HG2 THR 50 3HG2 THR 50 8.788 1.235 -18.408 371 H VAL 51 HN VAL 51 8.408 -0.089 -16.784 372 HA VAL 51 HA VAL 51 8.614 -0.379 -13.896 373 HB VAL 51 HB VAL 51 10.194 -1.712 -16.118 374 1HG1 VAL 51 1HG1 VAL 51 9.858 -2.123 -13.243 375 2HG1 VAL 51 2HG1 VAL 51 11.077 -2.776 -14.337 376 3HG1 VAL 51 3HG1 VAL 51 9.511 -3.572 -14.188 377 1HG2 VAL 51 1HG2 VAL 51 8.088 -3.381 -15.515 378 2HG2 VAL 51 2HG2 VAL 51 8.181 -2.327 -16.928 379 3HG2 VAL 51 3HG2 VAL 51 7.332 -1.787 -15.478 380 H THR 52 HN THR 52 9.968 0.967 -12.748 381 HA THR 52 HA THR 52 12.271 2.320 -13.894 382 HB THR 52 HB THR 52 12.578 3.054 -11.584 383 HG1 THR 52 HG1 THR 52 12.283 1.252 -10.407 384 1HG2 THR 52 1HG2 THR 52 10.389 4.013 -11.163 385 2HG2 THR 52 2HG2 THR 52 9.620 2.782 -12.166 386 3HG2 THR 52 3HG2 THR 52 10.673 3.989 -12.904 387 H GLU 53 HN GLU 53 11.806 -0.492 -11.724 388 HA GLU 53 HA GLU 53 14.307 -1.673 -12.750 389 1HB GLU 53 2HB GLU 53 15.065 -0.074 -11.031 390 2HB GLU 53 1HB GLU 53 13.981 -0.816 -9.856 391 1HG GLU 53 2HG GLU 53 15.184 -2.958 -10.090 392 2HG GLU 53 1HG GLU 53 16.273 -2.217 -11.263 393 H ILE 54 HN ILE 54 14.478 -3.924 -12.151 394 HA ILE 54 HA ILE 54 11.957 -5.086 -10.997 395 HB ILE 54 HB ILE 54 14.153 -6.143 -12.812 396 1HG1 ILE 54 2HG1 ILE 54 11.278 -6.293 -13.501 397 2HG1 ILE 54 1HG1 ILE 54 11.951 -4.667 -13.422 398 1HG2 ILE 54 1HG2 ILE 54 13.527 -7.953 -11.333 399 2HG2 ILE 54 2HG2 ILE 54 12.720 -8.224 -12.878 400 3HG2 ILE 54 3HG2 ILE 54 11.815 -7.570 -11.512 401 1HD1 ILE 54 1HD1 ILE 54 13.657 -6.620 -14.830 402 2HD1 ILE 54 2HD1 ILE 54 13.226 -4.971 -15.286 403 3HD1 ILE 54 3HD1 ILE 54 12.112 -6.298 -15.621 404 H ASN 55 HN ASN 55 12.101 -6.028 -9.052 405 HA ASN 55 HA ASN 55 14.796 -6.363 -7.816 406 1HB ASN 55 2HB ASN 55 11.992 -5.853 -6.888 407 2HB ASN 55 1HB ASN 55 13.123 -6.614 -5.767 408 1HD2 ASN 55 1HD2 ASN 55 12.568 -3.675 -7.711 409 2HD2 ASN 55 2HD2 ASN 55 13.666 -2.703 -6.857 410 H GLY 56 HN GLY 56 14.674 -8.356 -9.447 411 1HA GLY 56 2HA GLY 56 14.687 -10.727 -9.527 412 2HA GLY 56 1HA GLY 56 14.041 -10.757 -7.883 413 H ASN 57 HN ASN 57 11.928 -11.345 -7.704 414 HA ASN 57 HA ASN 57 10.264 -11.546 -10.110 415 1HB ASN 57 2HB ASN 57 9.178 -13.084 -8.840 416 2HB ASN 57 1HB ASN 57 10.490 -12.869 -7.703 417 1HD2 ASN 57 1HD2 ASN 57 7.406 -11.357 -8.578 418 2HD2 ASN 57 2HD2 ASN 57 6.945 -10.936 -7.000 419 H HIS 58 HN HIS 58 10.845 -9.276 -7.552 420 HA HIS 58 HA HIS 58 8.280 -7.916 -7.628 421 1HB HIS 58 2HB HIS 58 11.047 -7.411 -6.579 422 2HB HIS 58 1HB HIS 58 9.860 -6.112 -6.546 423 HD1 HIS 58 HD1 HIS 58 11.109 -8.333 -4.250 424 HD2 HIS 58 HD2 HIS 58 7.197 -7.611 -5.499 425 HE1 HIS 58 HE1 HIS 58 9.592 -9.163 -2.400 426 H VAL 59 HN VAL 59 7.976 -5.718 -8.482 427 HA VAL 59 HA VAL 59 10.043 -4.816 -10.407 428 HB VAL 59 HB VAL 59 7.125 -5.347 -10.990 429 1HG1 VAL 59 1HG1 VAL 59 9.079 -3.476 -12.227 430 2HG1 VAL 59 2HG1 VAL 59 7.318 -3.374 -12.161 431 3HG1 VAL 59 3HG1 VAL 59 8.098 -4.440 -13.331 432 1HG2 VAL 59 1HG2 VAL 59 8.801 -6.296 -13.016 433 2HG2 VAL 59 2HG2 VAL 59 8.066 -7.267 -11.740 434 3HG2 VAL 59 3HG2 VAL 59 9.698 -6.623 -11.530 435 H SER 60 HN SER 60 10.491 -2.762 -9.880 436 HA SER 60 HA SER 60 8.586 -1.090 -8.355 437 1HB SER 60 2HB SER 60 10.550 0.264 -7.993 438 2HB SER 60 1HB SER 60 11.064 -1.414 -7.862 439 HG SER 60 HG SER 60 11.982 -1.297 -9.835 440 H PHE 61 HN PHE 61 7.344 0.463 -9.421 441 HA PHE 61 HA PHE 61 8.211 1.249 -12.183 442 1HB PHE 61 2HB PHE 61 5.592 1.575 -12.381 443 2HB PHE 61 1HB PHE 61 6.297 -0.030 -12.548 444 HD1 PHE 61 HD1 PHE 61 4.043 2.055 -10.630 445 HD2 PHE 61 HD2 PHE 61 6.404 -1.536 -10.503 446 HE1 PHE 61 HE1 PHE 61 2.701 1.239 -8.708 447 HE2 PHE 61 HE2 PHE 61 5.067 -2.348 -8.581 448 HZ PHE 61 HZ PHE 61 3.214 -0.964 -7.684 449 H ASP 62 HN ASP 62 7.625 3.435 -12.822 450 HA ASP 62 HA ASP 62 7.969 5.269 -10.538 451 1HB ASP 62 2HB ASP 62 8.608 6.835 -12.275 452 2HB ASP 62 1HB ASP 62 9.312 5.272 -12.684 453 H LEU 63 HN LEU 63 6.703 7.083 -10.133 454 HA LEU 63 HA LEU 63 4.058 7.341 -11.448 455 1HB LEU 63 2HB LEU 63 4.662 5.800 -9.094 456 2HB LEU 63 1HB LEU 63 3.651 7.160 -8.636 457 HG LEU 63 HG LEU 63 2.703 5.964 -11.102 458 1HD1 LEU 63 1HD1 LEU 63 2.138 4.042 -8.975 459 2HD1 LEU 63 2HD1 LEU 63 3.859 4.102 -9.376 460 3HD1 LEU 63 3HD1 LEU 63 2.667 3.753 -10.632 461 1HD2 LEU 63 1HD2 LEU 63 1.609 7.388 -9.091 462 2HD2 LEU 63 2HD2 LEU 63 1.192 5.770 -8.531 463 3HD2 LEU 63 3HD2 LEU 63 0.640 6.325 -10.112 464 H MET 64 HN MET 64 4.108 9.584 -11.762 465 HA MET 64 HA MET 64 5.616 11.396 -10.104 466 1HB MET 64 2HB MET 64 3.307 11.753 -12.040 467 2HB MET 64 1HB MET 64 4.206 13.099 -11.349 468 1HG MET 64 2HG MET 64 5.556 10.842 -12.837 469 2HG MET 64 1HG MET 64 4.983 12.300 -13.646 470 1HE MET 64 1HE MET 64 6.722 15.144 -11.946 471 2HE MET 64 2HE MET 64 5.216 14.488 -12.580 472 3HE MET 64 3HE MET 64 6.609 14.663 -13.644 473 H LYS 65 HN LYS 65 4.950 12.554 -8.274 474 HA LYS 65 HA LYS 65 2.922 11.494 -6.618 475 1HB LYS 65 2HB LYS 65 4.860 12.835 -5.878 476 2HB LYS 65 1HB LYS 65 4.178 14.258 -6.668 477 1HG LYS 65 2HG LYS 65 3.657 14.284 -4.264 478 2HG LYS 65 1HG LYS 65 2.181 14.099 -5.213 479 1HD LYS 65 2HD LYS 65 2.152 11.707 -4.809 480 2HD LYS 65 1HD LYS 65 3.721 11.784 -4.007 481 1HE LYS 65 2HE LYS 65 2.795 13.109 -2.187 482 2HE LYS 65 1HE LYS 65 1.232 13.221 -3.022 483 1HZ LYS 65 1HZ LYS 65 1.043 11.405 -1.546 484 2HZ LYS 65 2HZ LYS 65 2.565 10.785 -1.979 485 3HZ LYS 65 3HZ LYS 65 1.273 10.721 -3.081 486 H GLU 66 HN GLU 66 2.865 14.401 -8.703 487 HA GLU 66 HA GLU 66 0.144 15.119 -8.050 488 1HB GLU 66 2HB GLU 66 1.839 16.666 -8.962 489 2HB GLU 66 1HB GLU 66 1.904 15.725 -10.452 490 1HG GLU 66 2HG GLU 66 -0.450 16.228 -10.907 491 2HG GLU 66 1HG GLU 66 -0.573 17.115 -9.386 492 H THR 67 HN THR 67 1.609 13.192 -10.668 493 HA THR 67 HA THR 67 -0.828 12.605 -12.095 494 HB THR 67 HB THR 67 1.693 10.970 -11.656 495 HG1 THR 67 HG1 THR 67 1.915 13.134 -12.547 496 1HG2 THR 67 1HG2 THR 67 0.557 9.407 -12.819 497 2HG2 THR 67 2HG2 THR 67 0.707 10.488 -14.205 498 3HG2 THR 67 3HG2 THR 67 -0.744 10.535 -13.203 499 H LEU 68 HN LEU 68 0.810 11.124 -9.330 500 HA LEU 68 HA LEU 68 -0.828 8.839 -8.965 501 1HB LEU 68 2HB LEU 68 1.364 9.302 -7.914 502 2HB LEU 68 1HB LEU 68 0.653 10.640 -7.014 503 HG LEU 68 HG LEU 68 -1.058 8.708 -6.277 504 1HD1 LEU 68 1HD1 LEU 68 0.633 6.723 -5.790 505 2HD1 LEU 68 2HD1 LEU 68 1.443 7.352 -7.225 506 3HD1 LEU 68 3HD1 LEU 68 -0.230 6.804 -7.325 507 1HD2 LEU 68 1HD2 LEU 68 1.217 10.040 -5.185 508 2HD2 LEU 68 2HD2 LEU 68 1.273 8.362 -4.646 509 3HD2 LEU 68 3HD2 LEU 68 -0.152 9.346 -4.315 510 H ARG 69 HN ARG 69 -1.050 12.124 -7.608 511 HA ARG 69 HA ARG 69 -3.493 11.719 -6.126 512 1HB ARG 69 2HB ARG 69 -1.838 13.507 -5.716 513 2HB ARG 69 1HB ARG 69 -2.184 14.196 -7.302 514 1HG ARG 69 2HG ARG 69 -3.435 15.440 -5.635 515 2HG ARG 69 1HG ARG 69 -4.571 14.489 -6.592 516 1HD ARG 69 2HD ARG 69 -4.608 12.748 -4.833 517 2HD ARG 69 1HD ARG 69 -3.473 13.711 -3.865 518 HE ARG 69 HE ARG 69 -5.514 15.491 -4.485 519 1HH1 ARG 69 1HH1 ARG 69 -5.281 12.366 -3.025 520 2HH1 ARG 69 2HH1 ARG 69 -6.640 12.612 -1.982 521 1HH2 ARG 69 1HH2 ARG 69 -7.284 15.819 -3.126 522 2HH2 ARG 69 2HH2 ARG 69 -7.771 14.564 -2.038 523 H ILE 70 HN ILE 70 -2.793 12.940 -9.396 524 HA ILE 70 HA ILE 70 -5.457 13.775 -10.007 525 HB ILE 70 HB ILE 70 -2.916 14.008 -11.005 526 1HG1 ILE 70 2HG1 ILE 70 -5.510 14.609 -12.442 527 2HG1 ILE 70 1HG1 ILE 70 -4.747 15.629 -11.222 528 1HG2 ILE 70 1HG2 ILE 70 -4.465 12.212 -12.873 529 2HG2 ILE 70 2HG2 ILE 70 -2.840 11.969 -12.235 530 3HG2 ILE 70 3HG2 ILE 70 -3.140 13.239 -13.422 531 1HD1 ILE 70 1HD1 ILE 70 -3.698 16.636 -12.960 532 2HD1 ILE 70 2HD1 ILE 70 -4.094 15.321 -14.066 533 3HD1 ILE 70 3HD1 ILE 70 -2.686 15.192 -13.009 534 H THR 71 HN THR 71 -3.632 10.825 -10.650 535 HA THR 71 HA THR 71 -5.883 9.512 -11.989 536 HB THR 71 HB THR 71 -4.265 7.657 -12.141 537 HG1 THR 71 HG1 THR 71 -2.148 8.132 -11.189 538 1HG2 THR 71 1HG2 THR 71 -2.758 8.695 -13.588 539 2HG2 THR 71 2HG2 THR 71 -2.646 10.146 -12.591 540 3HG2 THR 71 3HG2 THR 71 -4.094 9.846 -13.552 541 H ASN 72 HN ASN 72 -5.979 7.044 -11.023 542 HA ASN 72 HA ASN 72 -6.605 7.308 -8.118 543 1HB ASN 72 2HB ASN 72 -8.510 6.564 -9.285 544 2HB ASN 72 1HB ASN 72 -7.558 5.625 -10.425 545 1HD2 ASN 72 1HD2 ASN 72 -8.659 3.621 -10.038 546 2HD2 ASN 72 2HD2 ASN 72 -8.546 2.795 -8.559 547 H LEU 73 HN LEU 73 -3.915 6.937 -9.611 548 HA LEU 73 HA LEU 73 -3.003 4.242 -9.004 549 1HB LEU 73 2HB LEU 73 -1.644 6.912 -9.478 550 2HB LEU 73 1HB LEU 73 -0.765 5.393 -9.309 551 HG LEU 73 HG LEU 73 -2.936 5.874 -11.378 552 1HD1 LEU 73 1HD1 LEU 73 -0.108 5.551 -12.194 553 2HD1 LEU 73 2HD1 LEU 73 -0.496 7.076 -11.398 554 3HD1 LEU 73 3HD1 LEU 73 -1.362 6.599 -12.858 555 1HD2 LEU 73 1HD2 LEU 73 -2.821 3.633 -11.603 556 2HD2 LEU 73 2HD2 LEU 73 -1.525 3.538 -10.410 557 3HD2 LEU 73 3HD2 LEU 73 -1.141 3.818 -12.108 558 H GLY 74 HN GLY 74 -2.823 7.392 -7.306 559 1HA GLY 74 2HA GLY 74 -1.172 6.690 -5.189 560 2HA GLY 74 1HA GLY 74 -2.471 7.864 -5.043 561 H ASP 75 HN ASP 75 -4.354 5.521 -5.839 562 HA ASP 75 HA ASP 75 -5.263 4.974 -3.194 563 1HB ASP 75 2HB ASP 75 -6.855 3.557 -4.333 564 2HB ASP 75 1HB ASP 75 -6.522 4.926 -5.394 565 H LEU 76 HN LEU 76 -2.801 3.449 -5.092 566 HA LEU 76 HA LEU 76 -2.921 0.771 -4.188 567 1HB LEU 76 2HB LEU 76 -0.585 2.546 -4.909 568 2HB LEU 76 1HB LEU 76 -0.485 0.794 -4.775 569 HG LEU 76 HG LEU 76 -2.444 2.205 -6.602 570 1HD1 LEU 76 1HD1 LEU 76 -0.372 0.818 -8.011 571 2HD1 LEU 76 2HD1 LEU 76 0.383 1.942 -6.882 572 3HD1 LEU 76 3HD1 LEU 76 -0.774 2.533 -8.074 573 1HD2 LEU 76 1HD2 LEU 76 -2.408 -0.377 -5.648 574 2HD2 LEU 76 2HD2 LEU 76 -1.510 -0.536 -7.157 575 3HD2 LEU 76 3HD2 LEU 76 -3.148 0.117 -7.171 576 H LYS 77 HN LYS 77 -2.111 -0.278 -2.417 577 HA LYS 77 HA LYS 77 -0.537 1.236 -0.399 578 1HB LYS 77 2HB LYS 77 -3.110 -0.294 0.130 579 2HB LYS 77 1HB LYS 77 -2.090 0.435 1.373 580 1HG LYS 77 2HG LYS 77 -2.429 2.657 0.354 581 2HG LYS 77 1HG LYS 77 -3.451 1.932 -0.887 582 1HD LYS 77 2HD LYS 77 -5.022 1.160 0.852 583 2HD LYS 77 1HD LYS 77 -4.003 1.889 2.094 584 1HE LYS 77 2HE LYS 77 -4.651 4.040 1.557 585 2HE LYS 77 1HE LYS 77 -4.868 3.652 -0.162 586 1HZ LYS 77 1HZ LYS 77 -6.675 2.046 0.883 587 2HZ LYS 77 2HZ LYS 77 -7.036 3.651 0.460 588 3HZ LYS 77 3HZ LYS 77 -6.702 3.251 2.076 589 H VAL 78 HN VAL 78 0.971 -0.116 0.631 590 HA VAL 78 HA VAL 78 1.717 -2.499 -0.682 591 HB VAL 78 HB VAL 78 2.328 -1.732 2.189 592 1HG1 VAL 78 1HG1 VAL 78 3.946 -3.312 2.079 593 2HG1 VAL 78 2HG1 VAL 78 4.475 -2.762 0.486 594 3HG1 VAL 78 3HG1 VAL 78 3.131 -3.904 0.629 595 1HG2 VAL 78 1HG2 VAL 78 3.439 0.076 1.435 596 2HG2 VAL 78 2HG2 VAL 78 2.675 -0.187 -0.134 597 3HG2 VAL 78 3HG2 VAL 78 4.255 -0.890 0.205 598 H GLY 79 HN GLY 79 1.562 -4.697 -0.061 599 1HA GLY 79 2HA GLY 79 0.684 -6.561 1.140 600 2HA GLY 79 1HA GLY 79 -0.219 -5.442 2.166 601 H ASP 80 HN ASP 80 -0.887 -4.156 -0.672 602 HA ASP 80 HA ASP 80 -3.360 -5.782 -1.051 603 1HB ASP 80 2HB ASP 80 -3.290 -3.249 -0.730 604 2HB ASP 80 1HB ASP 80 -2.544 -3.156 -2.322 605 H TRP 81 HN TRP 81 -3.974 -6.249 -3.349 606 HA TRP 81 HA TRP 81 -1.541 -6.698 -5.044 607 1HB TRP 81 2HB TRP 81 -4.131 -8.221 -4.714 608 2HB TRP 81 1HB TRP 81 -3.045 -8.508 -6.067 609 HD1 TRP 81 HD1 TRP 81 -2.327 -7.962 -2.298 610 HE1 TRP 81 HE1 TRP 81 -0.784 -9.859 -1.501 611 HE3 TRP 81 HE3 TRP 81 -1.975 -10.681 -6.609 612 HZ2 TRP 81 HZ2 TRP 81 0.431 -12.229 -2.544 613 HZ3 TRP 81 HZ3 TRP 81 -0.617 -12.756 -6.678 614 HH2 TRP 81 HH2 TRP 81 0.587 -13.529 -4.649 615 H VAL 82 HN VAL 82 -1.949 -6.509 -7.388 616 HA VAL 82 HA VAL 82 -4.124 -4.576 -8.074 617 HB VAL 82 HB VAL 82 -2.117 -3.300 -7.860 618 1HG1 VAL 82 1HG1 VAL 82 -0.061 -4.270 -9.244 619 2HG1 VAL 82 2HG1 VAL 82 -0.890 -5.798 -8.943 620 3HG1 VAL 82 3HG1 VAL 82 -0.364 -4.798 -7.587 621 1HG2 VAL 82 1HG2 VAL 82 -1.616 -3.949 -10.700 622 2HG2 VAL 82 2HG2 VAL 82 -2.015 -2.395 -9.957 623 3HG2 VAL 82 3HG2 VAL 82 -3.296 -3.553 -10.321 624 H ASN 83 HN ASN 83 -4.902 -4.761 -10.209 625 HA ASN 83 HA ASN 83 -4.483 -7.293 -11.641 626 1HB ASN 83 2HB ASN 83 -6.214 -4.913 -11.651 627 2HB ASN 83 1HB ASN 83 -5.855 -5.500 -13.264 628 1HD2 ASN 83 1HD2 ASN 83 -8.233 -6.129 -13.289 629 2HD2 ASN 83 2HD2 ASN 83 -8.684 -7.601 -12.575 630 H VAL 84 HN VAL 84 -2.446 -7.430 -12.599 631 HA VAL 84 HA VAL 84 -1.393 -4.948 -13.886 632 HB VAL 84 HB VAL 84 0.788 -6.454 -13.729 633 1HG1 VAL 84 1HG1 VAL 84 -0.383 -5.276 -11.209 634 2HG1 VAL 84 2HG1 VAL 84 0.149 -4.277 -12.563 635 3HG1 VAL 84 3HG1 VAL 84 1.307 -5.304 -11.716 636 1HG2 VAL 84 1HG2 VAL 84 0.758 -7.917 -11.767 637 2HG2 VAL 84 2HG2 VAL 84 -0.464 -8.460 -12.917 638 3HG2 VAL 84 3HG2 VAL 84 -0.943 -7.546 -11.487 639 H GLU 85 HN GLU 85 -0.626 -4.960 -15.949 640 HA GLU 85 HA GLU 85 -0.779 -7.481 -17.553 641 1HB GLU 85 2HB GLU 85 -2.241 -6.396 -19.171 642 2HB GLU 85 1HB GLU 85 -2.976 -6.246 -17.575 643 1HG GLU 85 2HG GLU 85 -2.033 -3.972 -17.355 644 2HG GLU 85 1HG GLU 85 -1.317 -4.119 -18.961 645 H ARG 86 HN ARG 86 0.380 -7.228 -19.657 646 HA ARG 86 HA ARG 86 2.669 -5.380 -19.286 647 1HB ARG 86 2HB ARG 86 3.812 -6.919 -20.731 648 2HB ARG 86 1HB ARG 86 2.819 -7.895 -19.651 649 1HG ARG 86 2HG ARG 86 1.076 -8.056 -21.394 650 2HG ARG 86 1HG ARG 86 2.073 -7.084 -22.476 651 1HD ARG 86 2HD ARG 86 3.894 -8.829 -22.230 652 2HD ARG 86 1HD ARG 86 2.711 -9.845 -21.391 653 HE ARG 86 HE ARG 86 2.646 -9.111 -24.249 654 1HH1 ARG 86 1HH1 ARG 86 0.953 -10.355 -21.488 655 2HH1 ARG 86 2HH1 ARG 86 -0.199 -11.221 -22.441 656 1HH2 ARG 86 1HH2 ARG 86 1.139 -10.234 -25.475 657 2HH2 ARG 86 2HH2 ARG 86 -0.099 -11.152 -24.688 658 H ALA 87 HN ALA 87 3.038 -3.651 -20.597 659 HA ALA 87 HA ALA 87 1.482 -3.417 -23.148 660 1HB ALA 87 1HB ALA 87 1.037 -1.933 -20.961 661 2HB ALA 87 2HB ALA 87 0.926 -1.243 -22.580 662 3HB ALA 87 3HB ALA 87 2.387 -1.013 -21.623 663 H ALA 88 HN ALA 88 2.652 -2.534 -24.903 664 HA ALA 88 HA ALA 88 5.571 -2.009 -24.469 665 1HB ALA 88 1HB ALA 88 6.110 -3.625 -26.130 666 2HB ALA 88 2HB ALA 88 4.442 -3.714 -26.694 667 3HB ALA 88 3HB ALA 88 4.883 -4.405 -25.133 668 H LYS 89 HN LYS 89 6.523 -0.705 -26.118 669 HA LYS 89 HA LYS 89 4.920 1.314 -27.363 670 1HB LYS 89 2HB LYS 89 7.718 0.229 -27.789 671 2HB LYS 89 1HB LYS 89 7.118 1.676 -28.602 672 1HG LYS 89 2HG LYS 89 7.166 2.933 -26.695 673 2HG LYS 89 1HG LYS 89 6.679 1.582 -25.673 674 1HD LYS 89 2HD LYS 89 8.874 0.723 -25.555 675 2HD LYS 89 1HD LYS 89 9.414 1.675 -26.939 676 1HE LYS 89 2HE LYS 89 10.278 2.739 -24.924 677 2HE LYS 89 1HE LYS 89 8.969 3.761 -25.548 678 1HZ LYS 89 1HZ LYS 89 7.977 3.477 -23.589 679 2HZ LYS 89 2HZ LYS 89 9.084 2.284 -23.108 680 3HZ LYS 89 3HZ LYS 89 7.714 1.857 -24.016 681 H PHE 90 HN PHE 90 6.284 -1.746 -28.572 682 HA PHE 90 HA PHE 90 4.452 -1.527 -30.937 683 1HB PHE 90 2HB PHE 90 6.294 -2.542 -32.257 684 2HB PHE 90 1HB PHE 90 6.797 -1.015 -31.532 685 HD1 PHE 90 HD1 PHE 90 8.356 -0.958 -29.647 686 HD2 PHE 90 HD2 PHE 90 7.140 -4.680 -31.421 687 HE1 PHE 90 HE1 PHE 90 10.199 -2.126 -28.463 688 HE2 PHE 90 HE2 PHE 90 8.982 -5.848 -30.236 689 HZ PHE 90 HZ PHE 90 10.511 -4.570 -28.756 690 H SER 91 HN SER 91 3.789 -3.653 -31.773 691 HA SER 91 HA SER 91 4.375 -6.008 -30.060 692 1HB SER 91 2HB SER 91 2.465 -4.684 -29.083 693 2HB SER 91 1HB SER 91 1.572 -4.966 -30.576 694 HG SER 91 HG SER 91 1.271 -6.493 -28.737 695 H ASP 92 HN ASP 92 3.386 -8.015 -31.046 696 HA ASP 92 HA ASP 92 3.959 -8.253 -33.821 697 1HB ASP 92 2HB ASP 92 2.308 -9.880 -31.869 698 2HB ASP 92 1HB ASP 92 2.698 -10.442 -33.494 699 H GLU 93 HN GLU 93 0.893 -7.770 -32.097 700 HA GLU 93 HA GLU 93 -1.343 -7.398 -33.000 701 1HB GLU 93 2HB GLU 93 -1.287 -5.322 -34.300 702 2HB GLU 93 1HB GLU 93 -0.091 -5.235 -33.010 703 1HG GLU 93 2HG GLU 93 1.706 -5.715 -34.542 704 2HG GLU 93 1HG GLU 93 0.574 -6.086 -35.841 705 H ILE 94 HN ILE 94 -0.477 -9.732 -34.111 706 HA ILE 94 HA ILE 94 -0.291 -9.751 -36.986 707 HB ILE 94 HB ILE 94 -1.238 -11.849 -35.002 708 1HG1 ILE 94 2HG1 ILE 94 1.018 -10.871 -34.518 709 2HG1 ILE 94 1HG1 ILE 94 1.092 -12.577 -34.957 710 1HG2 ILE 94 1HG2 ILE 94 -0.824 -13.463 -36.679 711 2HG2 ILE 94 2HG2 ILE 94 0.100 -12.328 -37.664 712 3HG2 ILE 94 3HG2 ILE 94 -1.652 -12.166 -37.540 713 1HD1 ILE 94 1HD1 ILE 94 1.255 -10.760 -37.263 714 2HD1 ILE 94 2HD1 ILE 94 2.254 -12.156 -36.857 715 3HD1 ILE 94 3HD1 ILE 94 2.593 -10.587 -36.126 716 H GLY 95 HN GLY 95 -3.019 -10.111 -34.721 717 1HA GLY 95 2HA GLY 95 -5.337 -10.220 -35.130 718 2HA GLY 95 1HA GLY 95 -4.988 -8.913 -36.262 719 H GLY 96 HN GLY 96 -4.673 -12.481 -36.099 720 1HA GLY 96 2HA GLY 96 -4.782 -12.799 -38.972 721 2HA GLY 96 1HA GLY 96 -4.992 -14.090 -37.788 722 H HIS 97 HN HIS 97 -6.779 -14.886 -39.135 723 HA HIS 97 HA HIS 97 -9.096 -13.302 -39.746 724 1HB HIS 97 2HB HIS 97 -10.023 -15.416 -40.396 725 2HB HIS 97 1HB HIS 97 -8.296 -15.529 -40.724 726 HD1 HIS 97 HD1 HIS 97 -7.013 -17.343 -39.530 727 HD2 HIS 97 HD2 HIS 97 -10.801 -16.759 -37.891 728 HE1 HIS 97 HE1 HIS 97 -7.352 -19.192 -37.832 729 1H MET 1 1HT MET 1 0.149 -0.642 -28.580 730 2H MET 1 2HT MET 1 1.310 0.519 -29.012 731 3H MET 1 3HT MET 1 0.215 -0.062 -30.173 732 HA MET 1 HA MET 1 -0.090 2.217 -28.691 733 1HB MET 1 2HB MET 1 -1.950 0.400 -30.241 734 2HB MET 1 1HB MET 1 -2.433 2.007 -29.699 735 1HG MET 1 2HG MET 1 -0.447 2.952 -30.898 736 2HG MET 1 1HG MET 1 -0.116 1.340 -31.536 737 1HE MET 1 1HE MET 1 -3.713 2.934 -30.865 738 2HE MET 1 2HE MET 1 -3.811 3.944 -32.305 739 3HE MET 1 3HE MET 1 -2.515 4.206 -31.140 740 H PHE 2 HN PHE 2 -0.857 2.655 -26.682 741 HA PHE 2 HA PHE 2 -3.192 1.518 -25.585 742 1HB PHE 2 2HB PHE 2 -2.287 0.050 -23.895 743 2HB PHE 2 1HB PHE 2 -1.604 -0.454 -25.431 744 HD1 PHE 2 HD1 PHE 2 -0.880 1.827 -22.536 745 HD2 PHE 2 HD2 PHE 2 0.719 -0.729 -25.603 746 HE1 PHE 2 HE1 PHE 2 1.400 2.148 -21.615 747 HE2 PHE 2 HE2 PHE 2 2.999 -0.394 -24.682 748 HZ PHE 2 HZ PHE 2 3.339 1.042 -22.693 749 H THR 3 HN THR 3 -3.849 2.882 -23.891 750 HA THR 3 HA THR 3 -1.771 4.755 -22.819 751 HB THR 3 HB THR 3 -3.307 6.565 -23.210 752 HG1 THR 3 HG1 THR 3 -5.290 4.880 -24.208 753 1HG2 THR 3 1HG2 THR 3 -2.430 4.906 -25.312 754 2HG2 THR 3 2HG2 THR 3 -2.950 6.588 -25.430 755 3HG2 THR 3 3HG2 THR 3 -4.112 5.287 -25.683 756 H GLY 4 HN GLY 4 -4.943 3.217 -22.385 757 1HA GLY 4 2HA GLY 4 -6.145 2.725 -20.431 758 2HA GLY 4 1HA GLY 4 -4.564 2.578 -19.659 759 H ILE 5 HN ILE 5 -5.264 5.574 -21.198 760 HA ILE 5 HA ILE 5 -4.943 6.959 -18.642 761 HB ILE 5 HB ILE 5 -5.625 8.012 -21.408 762 1HG1 ILE 5 2HG1 ILE 5 -3.660 6.497 -21.416 763 2HG1 ILE 5 1HG1 ILE 5 -3.206 8.164 -21.754 764 1HG2 ILE 5 1HG2 ILE 5 -5.099 9.261 -18.861 765 2HG2 ILE 5 2HG2 ILE 5 -5.502 10.020 -20.402 766 3HG2 ILE 5 3HG2 ILE 5 -3.816 9.674 -20.003 767 1HD1 ILE 5 1HD1 ILE 5 -2.640 8.422 -19.313 768 2HD1 ILE 5 2HD1 ILE 5 -1.625 7.255 -20.160 769 3HD1 ILE 5 3HD1 ILE 5 -2.932 6.694 -19.118 770 H VAL 6 HN VAL 6 -6.667 7.168 -17.274 771 HA VAL 6 HA VAL 6 -9.412 6.933 -18.215 772 HB VAL 6 HB VAL 6 -7.877 7.058 -15.681 773 1HG1 VAL 6 1HG1 VAL 6 -9.412 8.906 -15.228 774 2HG1 VAL 6 2HG1 VAL 6 -9.930 7.486 -14.321 775 3HG1 VAL 6 3HG1 VAL 6 -10.777 7.946 -15.797 776 1HG2 VAL 6 1HG2 VAL 6 -8.753 4.985 -15.500 777 2HG2 VAL 6 2HG2 VAL 6 -9.376 5.210 -17.135 778 3HG2 VAL 6 3HG2 VAL 6 -10.394 5.586 -15.744 779 H GLN 7 HN GLN 7 -10.778 8.574 -18.730 780 HA GLN 7 HA GLN 7 -9.814 11.269 -18.994 781 1HB GLN 7 2HB GLN 7 -12.520 9.935 -19.224 782 2HB GLN 7 1HB GLN 7 -12.254 11.632 -19.628 783 1HG GLN 7 2HG GLN 7 -10.528 10.976 -21.266 784 2HG GLN 7 1HG GLN 7 -10.794 9.278 -20.867 785 1HE2 GLN 7 1HE2 GLN 7 -11.236 10.458 -23.517 786 2HE2 GLN 7 2HE2 GLN 7 -12.889 10.289 -23.863 787 H GLY 8 HN GLY 8 -11.729 9.653 -16.463 788 1HA GLY 8 2HA GLY 8 -11.628 12.187 -14.904 789 2HA GLY 8 1HA GLY 8 -13.210 11.493 -15.251 790 H THR 9 HN THR 9 -12.743 11.721 -12.650 791 HA THR 9 HA THR 9 -11.890 8.981 -11.776 792 HB THR 9 HB THR 9 -11.395 10.334 -9.590 793 HG1 THR 9 HG1 THR 9 -12.290 12.269 -10.146 794 1HG2 THR 9 1HG2 THR 9 -9.435 9.575 -10.470 795 2HG2 THR 9 2HG2 THR 9 -9.240 11.254 -10.974 796 3HG2 THR 9 3HG2 THR 9 -9.870 10.060 -12.110 797 H ALA 10 HN ALA 10 -12.914 8.430 -9.587 798 HA ALA 10 HA ALA 10 -15.727 9.469 -9.347 799 1HB ALA 10 1HB ALA 10 -14.774 6.979 -10.470 800 2HB ALA 10 2HB ALA 10 -16.438 7.554 -10.323 801 3HB ALA 10 3HB ALA 10 -15.700 6.648 -9.004 802 H LYS 11 HN LYS 11 -16.587 9.193 -7.226 803 HA LYS 11 HA LYS 11 -14.529 8.466 -5.167 804 1HB LYS 11 2HB LYS 11 -15.286 10.791 -5.163 805 2HB LYS 11 1HB LYS 11 -16.963 10.262 -5.093 806 1HG LYS 11 2HG LYS 11 -16.571 9.190 -2.927 807 2HG LYS 11 1HG LYS 11 -14.872 9.654 -2.990 808 1HD LYS 11 2HD LYS 11 -15.310 11.774 -2.331 809 2HD LYS 11 1HD LYS 11 -16.712 11.907 -3.397 810 1HE LYS 11 2HE LYS 11 -18.100 10.669 -1.805 811 2HE LYS 11 1HE LYS 11 -16.693 10.404 -0.754 812 1HZ LYS 11 1HZ LYS 11 -16.454 12.964 -0.957 813 2HZ LYS 11 2HZ LYS 11 -17.577 12.318 0.142 814 3HZ LYS 11 3HZ LYS 11 -18.102 12.918 -1.358 815 H LEU 12 HN LEU 12 -14.930 6.463 -4.321 816 HA LEU 12 HA LEU 12 -17.430 5.039 -4.381 817 1HB LEU 12 2HB LEU 12 -14.877 4.450 -3.758 818 2HB LEU 12 1HB LEU 12 -15.466 4.762 -2.141 819 HG LEU 12 HG LEU 12 -17.188 3.070 -2.376 820 1HD1 LEU 12 1HD1 LEU 12 -16.579 3.459 -5.208 821 2HD1 LEU 12 2HD1 LEU 12 -18.027 2.786 -4.459 822 3HD1 LEU 12 3HD1 LEU 12 -16.631 1.752 -4.767 823 1HD2 LEU 12 1HD2 LEU 12 -15.531 1.671 -1.730 824 2HD2 LEU 12 2HD2 LEU 12 -14.348 2.517 -2.729 825 3HD2 LEU 12 3HD2 LEU 12 -15.340 1.236 -3.429 826 H VAL 13 HN VAL 13 -19.238 5.525 -3.259 827 HA VAL 13 HA VAL 13 -18.944 7.157 -0.763 828 HB VAL 13 HB VAL 13 -20.039 8.499 -2.334 829 1HG1 VAL 13 1HG1 VAL 13 -22.161 7.246 -3.494 830 2HG1 VAL 13 2HG1 VAL 13 -20.981 5.941 -3.423 831 3HG1 VAL 13 3HG1 VAL 13 -20.581 7.449 -4.255 832 1HG2 VAL 13 1HG2 VAL 13 -21.340 8.278 -0.228 833 2HG2 VAL 13 2HG2 VAL 13 -22.290 6.997 -0.982 834 3HG2 VAL 13 3HG2 VAL 13 -22.371 8.643 -1.612 835 H SER 14 HN SER 14 -20.425 4.412 -2.328 836 HA SER 14 HA SER 14 -21.148 3.318 0.342 837 1HB SER 14 2HB SER 14 -22.931 4.701 -1.401 838 2HB SER 14 1HB SER 14 -23.417 3.011 -1.357 839 HG SER 14 HG SER 14 -22.731 4.319 1.028 840 H ILE 15 HN ILE 15 -21.438 1.050 0.332 841 HA ILE 15 HA ILE 15 -20.911 -0.332 -2.282 842 HB ILE 15 HB ILE 15 -20.474 -1.375 0.531 843 1HG1 ILE 15 2HG1 ILE 15 -18.547 -0.055 -1.397 844 2HG1 ILE 15 1HG1 ILE 15 -19.041 0.546 0.179 845 1HG2 ILE 15 1HG2 ILE 15 -20.543 -3.238 -0.865 846 2HG2 ILE 15 2HG2 ILE 15 -18.828 -2.824 -0.949 847 3HG2 ILE 15 3HG2 ILE 15 -19.917 -2.349 -2.253 848 1HD1 ILE 15 1HD1 ILE 15 -18.163 -1.894 0.909 849 2HD1 ILE 15 2HD1 ILE 15 -17.103 -0.486 0.843 850 3HD1 ILE 15 3HD1 ILE 15 -17.136 -1.630 -0.499 851 H ASP 16 HN ASP 16 -22.539 -1.636 -3.001 852 HA ASP 16 HA ASP 16 -24.767 -2.285 -1.105 853 1HB ASP 16 2HB ASP 16 -24.545 -1.878 -4.086 854 2HB ASP 16 1HB ASP 16 -25.944 -2.687 -3.380 855 H GLU 17 HN GLU 17 -24.553 -4.376 -0.361 856 HA GLU 17 HA GLU 17 -23.149 -6.347 -2.111 857 1HB GLU 17 2HB GLU 17 -22.256 -5.874 0.138 858 2HB GLU 17 1HB GLU 17 -23.808 -6.313 0.852 859 1HG GLU 17 2HG GLU 17 -23.584 -8.597 -0.057 860 2HG GLU 17 1HG GLU 17 -22.030 -8.161 -0.767 861 H LYS 18 HN LYS 18 -24.649 -7.445 -3.345 862 HA LYS 18 HA LYS 18 -27.129 -8.457 -2.002 863 1HB LYS 18 2HB LYS 18 -26.490 -8.748 -4.933 864 2HB LYS 18 1HB LYS 18 -28.063 -8.606 -4.156 865 1HG LYS 18 2HG LYS 18 -26.765 -6.221 -3.500 866 2HG LYS 18 1HG LYS 18 -26.319 -6.509 -5.182 867 1HD LYS 18 2HD LYS 18 -29.097 -7.140 -4.865 868 2HD LYS 18 1HD LYS 18 -28.805 -5.544 -4.170 869 1HE LYS 18 2HE LYS 18 -27.316 -5.487 -6.522 870 2HE LYS 18 1HE LYS 18 -28.796 -6.353 -6.982 871 1HZ LYS 18 1HZ LYS 18 -28.862 -3.803 -6.978 872 2HZ LYS 18 2HZ LYS 18 -28.911 -3.939 -5.285 873 3HZ LYS 18 3HZ LYS 18 -30.140 -4.632 -6.231 874 HA PRO 19 HA PRO 19 -24.950 -12.263 -1.387 875 1HB PRO 19 2HB PRO 19 -27.303 -13.830 -1.502 876 2HB PRO 19 1HB PRO 19 -26.565 -13.147 -0.041 877 1HG PRO 19 2HG PRO 19 -28.839 -12.144 -1.658 878 2HG PRO 19 1HG PRO 19 -28.545 -12.020 0.084 879 1HD PRO 19 2HD PRO 19 -28.232 -9.913 -1.544 880 2HD PRO 19 1HD PRO 19 -27.162 -10.175 -0.145 881 H ASN 20 HN ASN 20 -27.289 -11.725 -3.967 882 HA ASN 20 HA ASN 20 -26.410 -14.008 -5.588 883 1HB ASN 20 2HB ASN 20 -27.876 -11.508 -6.461 884 2HB ASN 20 1HB ASN 20 -27.989 -13.126 -7.153 885 1HD2 ASN 20 1HD2 ASN 20 -29.320 -10.996 -4.788 886 2HD2 ASN 20 2HD2 ASN 20 -30.345 -12.116 -4.034 887 H PHE 21 HN PHE 21 -25.816 -10.498 -5.488 888 HA PHE 21 HA PHE 21 -23.274 -10.900 -6.974 889 1HB PHE 21 2HB PHE 21 -25.438 -8.967 -7.864 890 2HB PHE 21 1HB PHE 21 -23.915 -9.297 -8.688 891 HD1 PHE 21 HD1 PHE 21 -23.541 -11.428 -9.859 892 HD2 PHE 21 HD2 PHE 21 -27.286 -10.546 -7.949 893 HE1 PHE 21 HE1 PHE 21 -24.605 -13.309 -11.081 894 HE2 PHE 21 HE2 PHE 21 -28.353 -12.426 -9.169 895 HZ PHE 21 HZ PHE 21 -27.011 -13.807 -10.735 896 H ARG 22 HN ARG 22 -21.784 -9.149 -6.582 897 HA ARG 22 HA ARG 22 -22.498 -7.424 -4.279 898 1HB ARG 22 2HB ARG 22 -20.358 -8.734 -4.434 899 2HB ARG 22 1HB ARG 22 -19.898 -7.718 -5.800 900 1HG ARG 22 2HG ARG 22 -19.904 -5.737 -4.438 901 2HG ARG 22 1HG ARG 22 -20.632 -6.604 -3.085 902 1HD ARG 22 2HD ARG 22 -18.625 -7.962 -2.804 903 2HD ARG 22 1HD ARG 22 -17.896 -7.233 -4.250 904 HE ARG 22 HE ARG 22 -18.524 -5.030 -2.744 905 1HH1 ARG 22 1HH1 ARG 22 -16.902 -8.011 -2.079 906 2HH1 ARG 22 2HH1 ARG 22 -15.873 -7.327 -0.868 907 1HH2 ARG 22 1HH2 ARG 22 -17.182 -4.133 -1.167 908 2HH2 ARG 22 2HH2 ARG 22 -16.029 -5.136 -0.353 909 H THR 23 HN THR 23 -22.557 -5.176 -4.419 910 HA THR 23 HA THR 23 -22.416 -3.996 -7.175 911 HB THR 23 HB THR 23 -24.380 -3.509 -4.912 912 HG1 THR 23 HG1 THR 23 -25.639 -4.871 -5.920 913 1HG2 THR 23 1HG2 THR 23 -25.605 -2.223 -6.713 914 2HG2 THR 23 2HG2 THR 23 -24.152 -2.358 -7.704 915 3HG2 THR 23 3HG2 THR 23 -24.099 -1.480 -6.175 916 H HIS 24 HN HIS 24 -21.317 -2.021 -7.266 917 HA HIS 24 HA HIS 24 -20.612 -0.750 -4.643 918 1HB HIS 24 2HB HIS 24 -18.989 -1.913 -6.762 919 2HB HIS 24 1HB HIS 24 -18.537 -0.241 -6.422 920 HD1 HIS 24 HD1 HIS 24 -17.436 -3.359 -5.406 921 HD2 HIS 24 HD2 HIS 24 -18.832 -0.094 -3.232 922 HE1 HIS 24 HE1 HIS 24 -16.602 -3.667 -3.031 923 H VAL 25 HN VAL 25 -20.909 1.468 -4.584 924 HA VAL 25 HA VAL 25 -21.722 2.765 -7.163 925 HB VAL 25 HB VAL 25 -22.565 3.490 -4.360 926 1HG1 VAL 25 1HG1 VAL 25 -23.719 5.125 -5.384 927 2HG1 VAL 25 2HG1 VAL 25 -24.506 3.949 -6.436 928 3HG1 VAL 25 3HG1 VAL 25 -22.964 4.662 -6.908 929 1HG2 VAL 25 1HG2 VAL 25 -24.736 2.228 -5.265 930 2HG2 VAL 25 2HG2 VAL 25 -23.448 1.344 -4.445 931 3HG2 VAL 25 3HG2 VAL 25 -23.536 1.342 -6.206 932 H VAL 26 HN VAL 26 -20.635 4.565 -7.741 933 HA VAL 26 HA VAL 26 -18.797 5.837 -5.741 934 HB VAL 26 HB VAL 26 -17.401 6.343 -7.712 935 1HG1 VAL 26 1HG1 VAL 26 -16.486 4.311 -7.387 936 2HG1 VAL 26 2HG1 VAL 26 -17.710 3.597 -8.431 937 3HG1 VAL 26 3HG1 VAL 26 -18.007 3.739 -6.701 938 1HG2 VAL 26 1HG2 VAL 26 -18.095 6.039 -9.883 939 2HG2 VAL 26 2HG2 VAL 26 -19.682 6.263 -9.148 940 3HG2 VAL 26 3HG2 VAL 26 -19.086 4.636 -9.479 941 H GLU 27 HN GLU 27 -18.320 8.207 -6.450 942 HA GLU 27 HA GLU 27 -20.912 9.555 -7.075 943 1HB GLU 27 2HB GLU 27 -19.258 9.730 -4.947 944 2HB GLU 27 1HB GLU 27 -18.498 10.914 -6.002 945 1HG GLU 27 2HG GLU 27 -20.414 12.285 -6.057 946 2HG GLU 27 1HG GLU 27 -21.466 10.982 -5.501 947 H LEU 28 HN LEU 28 -21.004 10.254 -9.153 948 HA LEU 28 HA LEU 28 -18.609 10.312 -10.794 949 1HB LEU 28 2HB LEU 28 -21.154 9.592 -11.149 950 2HB LEU 28 1HB LEU 28 -21.295 11.257 -11.702 951 HG LEU 28 HG LEU 28 -19.566 10.904 -13.376 952 1HD1 LEU 28 1HD1 LEU 28 -18.800 8.386 -13.575 953 2HD1 LEU 28 2HD1 LEU 28 -19.202 8.337 -11.859 954 3HD1 LEU 28 3HD1 LEU 28 -17.980 9.463 -12.445 955 1HD2 LEU 28 1HD2 LEU 28 -21.539 8.597 -13.315 956 2HD2 LEU 28 2HD2 LEU 28 -20.648 9.130 -14.739 957 3HD2 LEU 28 3HD2 LEU 28 -21.841 10.192 -13.998 958 HA PRO 29 HA PRO 29 -17.859 14.654 -10.102 959 1HB PRO 29 2HB PRO 29 -15.952 14.907 -12.068 960 2HB PRO 29 1HB PRO 29 -15.628 14.300 -10.435 961 1HG PRO 29 2HG PRO 29 -15.986 12.803 -12.972 962 2HG PRO 29 1HG PRO 29 -14.928 12.462 -11.594 963 1HD PRO 29 2HD PRO 29 -17.247 11.129 -12.063 964 2HD PRO 29 1HD PRO 29 -16.568 11.362 -10.440 965 H ASP 30 HN ASP 30 -17.648 16.630 -11.664 966 HA ASP 30 HA ASP 30 -20.087 16.926 -13.043 967 1HB ASP 30 2HB ASP 30 -18.701 18.735 -12.114 968 2HB ASP 30 1HB ASP 30 -17.464 18.423 -13.332 969 H HIS 31 HN HIS 31 -16.847 16.172 -14.368 970 HA HIS 31 HA HIS 31 -17.925 16.264 -17.106 971 1HB HIS 31 2HB HIS 31 -15.591 15.987 -17.733 972 2HB HIS 31 1HB HIS 31 -15.696 17.172 -16.438 973 HD1 HIS 31 HD1 HIS 31 -16.212 14.426 -14.467 974 HD2 HIS 31 HD2 HIS 31 -12.879 15.613 -16.664 975 HE1 HIS 31 HE1 HIS 31 -14.212 13.278 -13.415 976 H MET 32 HN MET 32 -18.004 13.962 -14.740 977 HA MET 32 HA MET 32 -18.003 11.746 -16.766 978 1HB MET 32 2HB MET 32 -17.551 11.797 -13.772 979 2HB MET 32 1HB MET 32 -17.790 10.304 -14.678 980 1HG MET 32 2HG MET 32 -15.615 12.348 -15.203 981 2HG MET 32 1HG MET 32 -15.384 10.796 -14.399 982 1HE MET 32 1HE MET 32 -17.201 8.732 -16.061 983 2HE MET 32 2HE MET 32 -15.622 8.639 -15.283 984 3HE MET 32 3HE MET 32 -15.799 8.140 -16.964 985 H LEU 33 HN LEU 33 -19.870 13.753 -14.734 986 HA LEU 33 HA LEU 33 -22.130 12.007 -14.229 987 1HB LEU 33 2HB LEU 33 -21.519 14.948 -14.208 988 2HB LEU 33 1HB LEU 33 -23.194 14.414 -14.055 989 HG LEU 33 HG LEU 33 -20.995 13.278 -12.313 990 1HD1 LEU 33 1HD1 LEU 33 -22.311 15.913 -12.210 991 2HD1 LEU 33 2HD1 LEU 33 -20.849 15.355 -11.397 992 3HD1 LEU 33 3HD1 LEU 33 -22.432 14.994 -10.710 993 1HD2 LEU 33 1HD2 LEU 33 -23.231 12.118 -12.591 994 2HD2 LEU 33 2HD2 LEU 33 -23.977 13.543 -11.865 995 3HD2 LEU 33 3HD2 LEU 33 -22.835 12.575 -10.933 996 H ASP 34 HN ASP 34 -21.211 14.238 -16.821 997 HA ASP 34 HA ASP 34 -23.764 13.973 -18.224 998 1HB ASP 34 2HB ASP 34 -21.081 15.268 -18.693 999 2HB ASP 34 1HB ASP 34 -22.323 15.278 -19.948 1000 H GLY 35 HN GLY 35 -24.191 12.624 -19.961 1001 1HA GLY 35 2HA GLY 35 -23.644 11.319 -21.880 1002 2HA GLY 35 1HA GLY 35 -21.957 11.319 -21.367 1003 H LEU 36 HN LEU 36 -22.328 10.350 -18.710 1004 HA LEU 36 HA LEU 36 -22.403 7.522 -19.286 1005 1HB LEU 36 2HB LEU 36 -21.005 8.752 -17.577 1006 2HB LEU 36 1HB LEU 36 -22.466 8.936 -16.605 1007 HG LEU 36 HG LEU 36 -21.636 6.218 -17.598 1008 1HD1 LEU 36 1HD1 LEU 36 -19.912 7.725 -16.099 1009 2HD1 LEU 36 2HD1 LEU 36 -20.000 5.964 -16.037 1010 3HD1 LEU 36 3HD1 LEU 36 -20.861 6.933 -14.841 1011 1HD2 LEU 36 1HD2 LEU 36 -23.441 5.609 -16.397 1012 2HD2 LEU 36 2HD2 LEU 36 -23.746 7.305 -16.020 1013 3HD2 LEU 36 3HD2 LEU 36 -22.736 6.332 -14.950 1014 H GLU 37 HN GLU 37 -23.962 5.982 -18.692 1015 HA GLU 37 HA GLU 37 -26.447 6.857 -17.329 1016 1HB GLU 37 2HB GLU 37 -27.799 6.029 -19.244 1017 2HB GLU 37 1HB GLU 37 -26.747 7.360 -19.729 1018 1HG GLU 37 2HG GLU 37 -25.095 5.741 -20.594 1019 2HG GLU 37 1HG GLU 37 -26.149 4.411 -20.115 1020 H THR 38 HN THR 38 -27.867 4.869 -16.917 1021 HA THR 38 HA THR 38 -26.307 2.762 -15.771 1022 HB THR 38 HB THR 38 -28.872 1.789 -16.093 1023 HG1 THR 38 HG1 THR 38 -30.179 3.399 -16.415 1024 1HG2 THR 38 1HG2 THR 38 -27.448 3.414 -14.042 1025 2HG2 THR 38 2HG2 THR 38 -28.092 1.777 -13.927 1026 3HG2 THR 38 3HG2 THR 38 -29.181 3.162 -13.839 1027 H GLY 39 HN GLY 39 -26.104 0.546 -16.457 1028 1HA GLY 39 2HA GLY 39 -26.009 -1.230 -18.018 1029 2HA GLY 39 1HA GLY 39 -26.990 -0.276 -19.126 1030 H ALA 40 HN ALA 40 -24.684 1.823 -18.178 1031 HA ALA 40 HA ALA 40 -23.098 1.532 -20.621 1032 1HB ALA 40 1HB ALA 40 -23.595 3.732 -19.817 1033 2HB ALA 40 2HB ALA 40 -21.889 3.481 -19.444 1034 3HB ALA 40 3HB ALA 40 -23.105 3.314 -18.174 1035 H SER 41 HN SER 41 -20.766 1.086 -20.584 1036 HA SER 41 HA SER 41 -19.968 -0.662 -18.308 1037 1HB SER 41 2HB SER 41 -17.974 -0.816 -20.144 1038 2HB SER 41 1HB SER 41 -19.422 -1.812 -20.207 1039 HG SER 41 HG SER 41 -20.225 -0.570 -21.770 1040 H VAL 42 HN VAL 42 -19.184 0.667 -16.683 1041 HA VAL 42 HA VAL 42 -17.365 2.910 -17.328 1042 HB VAL 42 HB VAL 42 -18.860 1.834 -14.977 1043 1HG1 VAL 42 1HG1 VAL 42 -17.029 1.938 -13.632 1044 2HG1 VAL 42 2HG1 VAL 42 -17.292 3.679 -13.738 1045 3HG1 VAL 42 3HG1 VAL 42 -16.112 2.900 -14.792 1046 1HG2 VAL 42 1HG2 VAL 42 -18.142 4.684 -15.398 1047 2HG2 VAL 42 2HG2 VAL 42 -19.674 3.982 -14.875 1048 3HG2 VAL 42 3HG2 VAL 42 -19.220 3.941 -16.581 1049 H ALA 43 HN ALA 43 -15.169 2.676 -17.311 1050 HA ALA 43 HA ALA 43 -14.033 0.082 -16.372 1051 1HB ALA 43 1HB ALA 43 -12.131 1.888 -17.548 1052 2HB ALA 43 2HB ALA 43 -13.572 1.843 -18.564 1053 3HB ALA 43 3HB ALA 43 -12.713 0.350 -18.184 1054 H HIS 44 HN HIS 44 -13.248 0.128 -14.318 1055 HA HIS 44 HA HIS 44 -12.617 2.732 -13.034 1056 1HB HIS 44 2HB HIS 44 -13.222 -0.084 -12.219 1057 2HB HIS 44 1HB HIS 44 -12.256 0.893 -11.112 1058 HD1 HIS 44 HD1 HIS 44 -15.187 2.014 -13.300 1059 HD2 HIS 44 HD2 HIS 44 -14.129 1.731 -9.269 1060 HE1 HIS 44 HE1 HIS 44 -17.063 3.095 -11.980 1061 HE2 HIS 44 HE2 HIS 44 -16.417 2.931 -9.540 1062 H ASN 45 HN ASN 45 -10.630 3.368 -13.681 1063 HA ASN 45 HA ASN 45 -8.329 3.364 -14.095 1064 1HB ASN 45 2HB ASN 45 -8.652 2.278 -11.671 1065 2HB ASN 45 1HB ASN 45 -8.009 0.859 -12.503 1066 1HD2 ASN 45 1HD2 ASN 45 -7.183 3.966 -11.180 1067 2HD2 ASN 45 2HD2 ASN 45 -5.563 3.983 -11.669 1068 H GLY 46 HN GLY 46 -10.424 1.273 -15.395 1069 1HA GLY 46 2HA GLY 46 -9.713 0.554 -17.666 1070 2HA GLY 46 1HA GLY 46 -8.272 -0.118 -16.915 1071 H CYS 47 HN CYS 47 -10.827 -0.766 -14.827 1072 HA CYS 47 HA CYS 47 -11.114 -3.512 -15.980 1073 1HB CYS 47 2HB CYS 47 -10.441 -2.986 -13.540 1074 2HB CYS 47 1HB CYS 47 -12.121 -2.511 -13.305 1075 HG CYS 47 HG CYS 47 -11.630 -5.336 -14.484 1076 H CYS 48 HN CYS 48 -12.830 -3.662 -17.361 1077 HA CYS 48 HA CYS 48 -14.894 -1.643 -17.394 1078 1HB CYS 48 2HB CYS 48 -15.687 -2.992 -19.323 1079 2HB CYS 48 1HB CYS 48 -13.949 -2.697 -19.397 1080 HG CYS 48 HG CYS 48 -13.564 -5.148 -18.514 1081 H LEU 49 HN LEU 49 -16.753 -1.650 -16.267 1082 HA LEU 49 HA LEU 49 -18.178 -4.224 -15.852 1083 1HB LEU 49 2HB LEU 49 -18.696 -3.322 -13.476 1084 2HB LEU 49 1HB LEU 49 -17.092 -3.998 -13.755 1085 HG LEU 49 HG LEU 49 -17.341 -1.118 -14.363 1086 1HD1 LEU 49 1HD1 LEU 49 -18.439 -2.137 -11.930 1087 2HD1 LEU 49 2HD1 LEU 49 -18.207 -0.451 -12.395 1088 3HD1 LEU 49 3HD1 LEU 49 -16.928 -1.313 -11.539 1089 1HD2 LEU 49 1HD2 LEU 49 -15.247 -2.655 -14.275 1090 2HD2 LEU 49 2HD2 LEU 49 -15.393 -2.516 -12.523 1091 3HD2 LEU 49 3HD2 LEU 49 -15.131 -1.073 -13.503 1092 H THR 50 HN THR 50 -20.528 -3.789 -15.353 1093 HA THR 50 HA THR 50 -21.367 -1.423 -16.936 1094 HB THR 50 HB THR 50 -22.861 -3.923 -16.086 1095 HG1 THR 50 HG1 THR 50 -22.041 -4.835 -17.808 1096 1HG2 THR 50 1HG2 THR 50 -23.446 -1.886 -18.259 1097 2HG2 THR 50 2HG2 THR 50 -24.306 -2.005 -16.725 1098 3HG2 THR 50 3HG2 THR 50 -24.406 -3.319 -17.896 1099 H VAL 51 HN VAL 51 -23.096 -0.075 -16.267 1100 HA VAL 51 HA VAL 51 -23.196 0.477 -13.408 1101 HB VAL 51 HB VAL 51 -24.849 1.610 -15.687 1102 1HG1 VAL 51 1HG1 VAL 51 -24.420 2.277 -12.874 1103 2HG1 VAL 51 2HG1 VAL 51 -25.670 2.837 -13.984 1104 3HG1 VAL 51 3HG1 VAL 51 -24.097 3.632 -13.955 1105 1HG2 VAL 51 1HG2 VAL 51 -22.752 3.328 -15.358 1106 2HG2 VAL 51 2HG2 VAL 51 -22.839 2.088 -16.609 1107 3HG2 VAL 51 3HG2 VAL 51 -21.964 1.769 -15.111 1108 H THR 52 HN THR 52 -24.507 -0.754 -12.092 1109 HA THR 52 HA THR 52 -26.852 -2.196 -13.035 1110 HB THR 52 HB THR 52 -27.083 -2.714 -10.658 1111 HG1 THR 52 HG1 THR 52 -26.731 -0.933 -9.546 1112 1HG2 THR 52 1HG2 THR 52 -24.486 -3.143 -10.211 1113 2HG2 THR 52 2HG2 THR 52 -24.383 -2.714 -11.919 1114 3HG2 THR 52 3HG2 THR 52 -25.392 -4.068 -11.409 1115 H GLU 53 HN GLU 53 -26.318 0.799 -11.143 1116 HA GLU 53 HA GLU 53 -28.846 1.894 -12.190 1117 1HB GLU 53 2HB GLU 53 -29.548 0.460 -10.308 1118 2HB GLU 53 1HB GLU 53 -28.422 1.300 -9.243 1119 1HG GLU 53 2HG GLU 53 -29.629 3.418 -9.630 1120 2HG GLU 53 1HG GLU 53 -30.759 2.577 -10.694 1121 H ILE 54 HN ILE 54 -28.992 4.189 -11.793 1122 HA ILE 54 HA ILE 54 -26.433 5.441 -10.836 1123 HB ILE 54 HB ILE 54 -28.690 6.337 -12.664 1124 1HG1 ILE 54 2HG1 ILE 54 -25.840 6.412 -13.461 1125 2HG1 ILE 54 1HG1 ILE 54 -26.511 4.802 -13.212 1126 1HG2 ILE 54 1HG2 ILE 54 -26.474 7.864 -11.331 1127 2HG2 ILE 54 2HG2 ILE 54 -28.139 8.359 -11.643 1128 3HG2 ILE 54 3HG2 ILE 54 -26.968 8.319 -12.962 1129 1HD1 ILE 54 1HD1 ILE 54 -26.743 6.216 -15.546 1130 2HD1 ILE 54 2HD1 ILE 54 -28.253 6.638 -14.736 1131 3HD1 ILE 54 3HD1 ILE 54 -27.861 4.945 -15.046 1132 H ASN 55 HN ASN 55 -26.501 6.557 -8.979 1133 HA ASN 55 HA ASN 55 -29.161 7.012 -7.692 1134 1HB ASN 55 2HB ASN 55 -26.328 6.578 -6.814 1135 2HB ASN 55 1HB ASN 55 -27.420 7.443 -5.730 1136 1HD2 ASN 55 1HD2 ASN 55 -26.933 4.337 -7.416 1137 2HD2 ASN 55 2HD2 ASN 55 -28.002 3.451 -6.440 1138 H GLY 56 HN GLY 56 -29.091 8.849 -9.500 1139 1HA GLY 56 2HA GLY 56 -29.107 11.203 -9.792 1140 2HA GLY 56 1HA GLY 56 -28.405 11.379 -8.181 1141 H ASN 57 HN ASN 57 -26.286 11.973 -8.129 1142 HA ASN 57 HA ASN 57 -24.705 11.948 -10.599 1143 1HB ASN 57 2HB ASN 57 -23.574 13.592 -9.512 1144 2HB ASN 57 1HB ASN 57 -24.848 13.486 -8.315 1145 1HD2 ASN 57 1HD2 ASN 57 -21.797 11.886 -9.154 1146 2HD2 ASN 57 2HD2 ASN 57 -21.283 11.609 -7.560 1147 H HIS 58 HN HIS 58 -25.192 9.930 -7.825 1148 HA HIS 58 HA HIS 58 -22.641 8.550 -7.865 1149 1HB HIS 58 2HB HIS 58 -25.371 8.155 -6.681 1150 2HB HIS 58 1HB HIS 58 -24.185 6.858 -6.571 1151 HD1 HIS 58 HD1 HIS 58 -25.352 9.284 -4.445 1152 HD2 HIS 58 HD2 HIS 58 -21.485 8.435 -5.756 1153 HE1 HIS 58 HE1 HIS 58 -23.773 10.273 -2.731 1154 H VAL 59 HN VAL 59 -22.365 6.281 -8.523 1155 HA VAL 59 HA VAL 59 -24.501 5.219 -10.289 1156 HB VAL 59 HB VAL 59 -21.604 5.683 -11.017 1157 1HG1 VAL 59 1HG1 VAL 59 -22.652 4.569 -13.230 1158 2HG1 VAL 59 2HG1 VAL 59 -23.600 3.714 -12.013 1159 3HG1 VAL 59 3HG1 VAL 59 -21.838 3.613 -11.991 1160 1HG2 VAL 59 1HG2 VAL 59 -23.334 6.454 -13.065 1161 2HG2 VAL 59 2HG2 VAL 59 -22.576 7.534 -11.893 1162 3HG2 VAL 59 3HG2 VAL 59 -24.200 6.905 -11.592 1163 H SER 60 HN SER 60 -24.944 3.222 -9.569 1164 HA SER 60 HA SER 60 -22.979 1.689 -7.959 1165 1HB SER 60 2HB SER 60 -24.929 0.380 -7.408 1166 2HB SER 60 1HB SER 60 -25.438 2.064 -7.412 1167 HG SER 60 HG SER 60 -26.296 1.769 -9.454 1168 H PHE 61 HN PHE 61 -21.772 0.040 -8.905 1169 HA PHE 61 HA PHE 61 -22.738 -0.990 -11.564 1170 1HB PHE 61 2HB PHE 61 -20.127 -1.343 -11.824 1171 2HB PHE 61 1HB PHE 61 -20.837 0.243 -12.111 1172 HD1 PHE 61 HD1 PHE 61 -18.519 -1.668 -10.092 1173 HD2 PHE 61 HD2 PHE 61 -20.871 1.928 -10.210 1174 HE1 PHE 61 HE1 PHE 61 -17.111 -0.687 -8.298 1175 HE2 PHE 61 HE2 PHE 61 -19.469 2.906 -8.417 1176 HZ PHE 61 HZ PHE 61 -17.588 1.601 -7.460 1177 H ASP 62 HN ASP 62 -22.178 -3.237 -12.018 1178 HA ASP 62 HA ASP 62 -22.448 -4.849 -9.573 1179 1HB ASP 62 2HB ASP 62 -23.141 -6.562 -11.140 1180 2HB ASP 62 1HB ASP 62 -23.853 -5.041 -11.664 1181 H LEU 63 HN LEU 63 -21.168 -6.625 -9.047 1182 HA LEU 63 HA LEU 63 -18.568 -7.008 -10.423 1183 1HB LEU 63 2HB LEU 63 -19.090 -5.257 -8.201 1184 2HB LEU 63 1HB LEU 63 -18.065 -6.573 -7.655 1185 HG LEU 63 HG LEU 63 -17.201 -5.610 -10.251 1186 1HD1 LEU 63 1HD1 LEU 63 -17.001 -3.359 -9.945 1187 2HD1 LEU 63 2HD1 LEU 63 -16.661 -3.526 -8.223 1188 3HD1 LEU 63 3HD1 LEU 63 -18.330 -3.578 -8.801 1189 1HD2 LEU 63 1HD2 LEU 63 -16.035 -6.859 -8.173 1190 2HD2 LEU 63 2HD2 LEU 63 -15.610 -5.202 -7.750 1191 3HD2 LEU 63 3HD2 LEU 63 -15.101 -5.873 -9.300 1192 H MET 64 HN MET 64 -18.630 -9.270 -10.531 1193 HA MET 64 HA MET 64 -20.081 -10.918 -8.662 1194 1HB MET 64 2HB MET 64 -17.842 -11.458 -10.637 1195 2HB MET 64 1HB MET 64 -18.718 -12.733 -9.795 1196 1HG MET 64 2HG MET 64 -20.115 -10.613 -11.436 1197 2HG MET 64 1HG MET 64 -19.572 -12.142 -12.128 1198 1HE MET 64 1HE MET 64 -21.000 -14.755 -9.989 1199 2HE MET 64 2HE MET 64 -19.801 -14.181 -11.146 1200 3HE MET 64 3HE MET 64 -21.424 -14.586 -11.698 1201 H LYS 65 HN LYS 65 -19.354 -11.906 -6.759 1202 HA LYS 65 HA LYS 65 -17.271 -10.708 -5.277 1203 1HB LYS 65 2HB LYS 65 -19.183 -11.971 -4.353 1204 2HB LYS 65 1HB LYS 65 -18.530 -13.462 -5.033 1205 1HG LYS 65 2HG LYS 65 -17.930 -13.270 -2.655 1206 2HG LYS 65 1HG LYS 65 -16.485 -13.180 -3.666 1207 1HD LYS 65 2HD LYS 65 -16.439 -10.760 -3.483 1208 2HD LYS 65 1HD LYS 65 -17.981 -10.757 -2.625 1209 1HE LYS 65 2HE LYS 65 -16.993 -11.914 -0.725 1210 2HE LYS 65 1HE LYS 65 -15.460 -12.110 -1.597 1211 1HZ LYS 65 1HZ LYS 65 -15.292 -10.164 -0.240 1212 2HZ LYS 65 2HZ LYS 65 -16.765 -9.554 -0.826 1213 3HZ LYS 65 3HZ LYS 65 -15.416 -9.659 -1.854 1214 H GLU 66 HN GLU 66 -17.287 -13.794 -7.089 1215 HA GLU 66 HA GLU 66 -14.547 -14.462 -6.465 1216 1HB GLU 66 2HB GLU 66 -16.275 -16.077 -7.177 1217 2HB GLU 66 1HB GLU 66 -16.388 -15.273 -8.742 1218 1HG GLU 66 2HG GLU 66 -14.051 -15.827 -9.228 1219 2HG GLU 66 1HG GLU 66 -13.879 -16.574 -7.638 1220 H THR 67 HN THR 67 -16.098 -12.773 -9.198 1221 HA THR 67 HA THR 67 -13.711 -12.329 -10.754 1222 HB THR 67 HB THR 67 -16.214 -10.650 -10.380 1223 HG1 THR 67 HG1 THR 67 -16.439 -11.890 -12.573 1224 1HG2 THR 67 1HG2 THR 67 -15.683 -9.747 -12.588 1225 2HG2 THR 67 2HG2 THR 67 -14.244 -10.764 -12.679 1226 3HG2 THR 67 3HG2 THR 67 -14.334 -9.466 -11.488 1227 H LEU 68 HN LEU 68 -15.266 -10.596 -8.079 1228 HA LEU 68 HA LEU 68 -13.601 -8.295 -7.982 1229 1HB LEU 68 2HB LEU 68 -15.756 -8.650 -6.819 1230 2HB LEU 68 1HB LEU 68 -15.016 -9.904 -5.826 1231 HG LEU 68 HG LEU 68 -13.280 -7.920 -5.325 1232 1HD1 LEU 68 1HD1 LEU 68 -14.964 -5.897 -4.963 1233 2HD1 LEU 68 2HD1 LEU 68 -15.803 -6.647 -6.320 1234 3HD1 LEU 68 3HD1 LEU 68 -14.134 -6.110 -6.504 1235 1HD2 LEU 68 1HD2 LEU 68 -15.672 -9.013 -4.078 1236 2HD2 LEU 68 2HD2 LEU 68 -15.382 -7.347 -3.569 1237 3HD2 LEU 68 3HD2 LEU 68 -14.133 -8.571 -3.336 1238 H ARG 69 HN ARG 69 -13.341 -11.446 -6.343 1239 HA ARG 69 HA ARG 69 -10.844 -10.916 -4.985 1240 1HB ARG 69 2HB ARG 69 -12.485 -12.651 -4.359 1241 2HB ARG 69 1HB ARG 69 -12.195 -13.483 -5.886 1242 1HG ARG 69 2HG ARG 69 -10.888 -14.576 -4.154 1243 2HG ARG 69 1HG ARG 69 -9.784 -13.720 -5.232 1244 1HD ARG 69 2HD ARG 69 -9.685 -11.826 -3.643 1245 2HD ARG 69 1HD ARG 69 -10.787 -12.692 -2.553 1246 HE ARG 69 HE ARG 69 -8.771 -14.530 -3.078 1247 1HH1 ARG 69 1HH1 ARG 69 -8.952 -11.285 -1.901 1248 2HH1 ARG 69 2HH1 ARG 69 -7.558 -11.441 -0.886 1249 1HH2 ARG 69 1HH2 ARG 69 -6.956 -14.741 -1.754 1250 2HH2 ARG 69 2HH2 ARG 69 -6.430 -13.393 -0.802 1251 H ILE 70 HN ILE 70 -11.668 -12.427 -8.108 1252 HA ILE 70 HA ILE 70 -9.015 -13.324 -8.726 1253 HB ILE 70 HB ILE 70 -11.589 -13.637 -9.614 1254 1HG1 ILE 70 2HG1 ILE 70 -9.046 -14.375 -11.076 1255 2HG1 ILE 70 1HG1 ILE 70 -9.769 -15.277 -9.743 1256 1HG2 ILE 70 1HG2 ILE 70 -11.664 -13.019 -11.986 1257 2HG2 ILE 70 2HG2 ILE 70 -10.095 -12.227 -11.837 1258 3HG2 ILE 70 3HG2 ILE 70 -11.491 -11.585 -10.976 1259 1HD1 ILE 70 1HD1 ILE 70 -11.889 -15.007 -11.482 1260 2HD1 ILE 70 2HD1 ILE 70 -10.862 -16.435 -11.356 1261 3HD1 ILE 70 3HD1 ILE 70 -10.526 -15.212 -12.582 1262 H THR 71 HN THR 71 -10.871 -10.437 -9.572 1263 HA THR 71 HA THR 71 -8.653 -9.261 -11.101 1264 HB THR 71 HB THR 71 -10.273 -7.420 -11.366 1265 HG1 THR 71 HG1 THR 71 -12.412 -8.066 -10.286 1266 1HG2 THR 71 1HG2 THR 71 -11.957 -9.886 -11.538 1267 2HG2 THR 71 2HG2 THR 71 -10.500 -9.774 -12.524 1268 3HG2 THR 71 3HG2 THR 71 -11.779 -8.570 -12.696 1269 H ASN 72 HN ASN 72 -8.522 -6.715 -10.369 1270 HA ASN 72 HA ASN 72 -7.798 -6.717 -7.474 1271 1HB ASN 72 2HB ASN 72 -5.931 -6.091 -8.756 1272 2HB ASN 72 1HB ASN 72 -6.909 -5.264 -9.956 1273 1HD2 ASN 72 1HD2 ASN 72 -5.816 -3.212 -9.795 1274 2HD2 ASN 72 2HD2 ASN 72 -5.876 -2.264 -8.384 1275 H LEU 73 HN LEU 73 -10.535 -6.471 -8.903 1276 HA LEU 73 HA LEU 73 -11.424 -3.727 -8.512 1277 1HB LEU 73 2HB LEU 73 -12.802 -6.424 -8.694 1278 2HB LEU 73 1HB LEU 73 -13.671 -4.891 -8.636 1279 HG LEU 73 HG LEU 73 -11.574 -5.570 -10.725 1280 1HD1 LEU 73 1HD1 LEU 73 -14.430 -5.312 -11.462 1281 2HD1 LEU 73 2HD1 LEU 73 -14.008 -6.763 -10.555 1282 3HD1 LEU 73 3HD1 LEU 73 -13.200 -6.412 -12.082 1283 1HD2 LEU 73 1HD2 LEU 73 -11.667 -3.273 -10.807 1284 2HD2 LEU 73 2HD2 LEU 73 -13.267 -3.207 -10.068 1285 3HD2 LEU 73 3HD2 LEU 73 -13.100 -3.609 -11.776 1286 H GLY 74 HN GLY 74 -11.550 -6.712 -6.530 1287 1HA GLY 74 2HA GLY 74 -13.126 -5.812 -4.431 1288 2HA GLY 74 1HA GLY 74 -11.823 -6.973 -4.224 1289 H ASP 75 HN ASP 75 -9.967 -4.720 -5.292 1290 HA ASP 75 HA ASP 75 -8.968 -3.938 -2.740 1291 1HB ASP 75 2HB ASP 75 -7.414 -2.638 -4.057 1292 2HB ASP 75 1HB ASP 75 -7.784 -4.095 -4.977 1293 H LEU 76 HN LEU 76 -11.491 -2.582 -4.685 1294 HA LEU 76 HA LEU 76 -11.338 0.167 -4.032 1295 1HB LEU 76 2HB LEU 76 -13.698 -1.658 -4.510 1296 2HB LEU 76 1HB LEU 76 -13.792 0.099 -4.531 1297 HG LEU 76 HG LEU 76 -11.898 -1.479 -6.288 1298 1HD1 LEU 76 1HD1 LEU 76 -14.113 -0.166 -7.639 1299 2HD1 LEU 76 2HD1 LEU 76 -14.691 -1.379 -6.497 1300 3HD1 LEU 76 3HD1 LEU 76 -13.561 -1.835 -7.771 1301 1HD2 LEU 76 1HD2 LEU 76 -12.076 1.246 -5.587 1302 2HD2 LEU 76 2HD2 LEU 76 -12.759 1.132 -7.210 1303 3HD2 LEU 76 3HD2 LEU 76 -11.123 0.550 -6.899 1304 H LYS 77 HN LYS 77 -12.086 1.375 -2.339 1305 HA LYS 77 HA LYS 77 -13.592 0.058 -0.137 1306 1HB LYS 77 2HB LYS 77 -11.001 1.618 0.161 1307 2HB LYS 77 1HB LYS 77 -11.977 1.010 1.500 1308 1HG LYS 77 2HG LYS 77 -11.676 -1.297 0.676 1309 2HG LYS 77 1HG LYS 77 -10.696 -0.693 -0.660 1310 1HD LYS 77 2HD LYS 77 -9.066 0.229 0.948 1311 2HD LYS 77 1HD LYS 77 -10.043 -0.381 2.285 1312 1HE LYS 77 2HE LYS 77 -9.416 -2.574 1.923 1313 2HE LYS 77 1HE LYS 77 -9.257 -2.344 0.171 1314 1HZ LYS 77 1HZ LYS 77 -7.112 -2.517 1.516 1315 2HZ LYS 77 2HZ LYS 77 -7.476 -0.957 2.082 1316 3HZ LYS 77 3HZ LYS 77 -7.240 -1.229 0.421 1317 H VAL 78 HN VAL 78 -15.063 1.505 0.815 1318 HA VAL 78 HA VAL 78 -15.850 3.761 -0.684 1319 HB VAL 78 HB VAL 78 -16.362 3.262 2.264 1320 1HG1 VAL 78 1HG1 VAL 78 -17.971 4.839 2.067 1321 2HG1 VAL 78 2HG1 VAL 78 -18.573 4.137 0.563 1322 3HG1 VAL 78 3HG1 VAL 78 -17.222 5.278 0.531 1323 1HG2 VAL 78 1HG2 VAL 78 -18.456 2.167 0.863 1324 2HG2 VAL 78 2HG2 VAL 78 -17.117 1.246 1.549 1325 3HG2 VAL 78 3HG2 VAL 78 -17.075 1.736 -0.145 1326 H GLY 79 HN GLY 79 -15.672 6.005 -0.275 1327 1HA GLY 79 2HA GLY 79 -14.752 7.968 0.722 1328 2HA GLY 79 1HA GLY 79 -13.818 6.945 1.818 1329 H ASP 80 HN ASP 80 -13.252 5.412 -0.915 1330 HA ASP 80 HA ASP 80 -10.786 6.976 -1.523 1331 1HB ASP 80 2HB ASP 80 -10.848 4.482 -0.970 1332 2HB ASP 80 1HB ASP 80 -11.647 4.247 -2.521 1333 H TRP 81 HN TRP 81 -10.250 7.229 -3.872 1334 HA TRP 81 HA TRP 81 -12.738 7.532 -5.516 1335 1HB TRP 81 2HB TRP 81 -10.137 9.068 -5.414 1336 2HB TRP 81 1HB TRP 81 -11.268 9.235 -6.751 1337 HD1 TRP 81 HD1 TRP 81 -11.858 9.038 -2.925 1338 HE1 TRP 81 HE1 TRP 81 -13.372 11.005 -2.252 1339 HE3 TRP 81 HE3 TRP 81 -12.354 11.355 -7.451 1340 HZ2 TRP 81 HZ2 TRP 81 -14.619 13.275 -3.464 1341 HZ3 TRP 81 HZ3 TRP 81 -13.712 13.420 -7.663 1342 HH2 TRP 81 HH2 TRP 81 -14.845 14.380 -5.673 1343 H VAL 82 HN VAL 82 -12.424 7.136 -7.845 1344 HA VAL 82 HA VAL 82 -10.262 5.136 -8.430 1345 HB VAL 82 HB VAL 82 -12.249 3.889 -8.035 1346 1HG1 VAL 82 1HG1 VAL 82 -13.526 6.283 -9.288 1347 2HG1 VAL 82 2HG1 VAL 82 -14.002 5.407 -7.832 1348 3HG1 VAL 82 3HG1 VAL 82 -14.363 4.738 -9.427 1349 1HG2 VAL 82 1HG2 VAL 82 -12.839 4.299 -10.907 1350 2HG2 VAL 82 2HG2 VAL 82 -12.462 2.805 -10.039 1351 3HG2 VAL 82 3HG2 VAL 82 -11.162 3.891 -10.532 1352 H ASN 83 HN ASN 83 -9.560 5.121 -10.592 1353 HA ASN 83 HA ASN 83 -10.020 7.514 -12.238 1354 1HB ASN 83 2HB ASN 83 -8.298 5.142 -12.068 1355 2HB ASN 83 1HB ASN 83 -8.707 5.554 -13.716 1356 1HD2 ASN 83 1HD2 ASN 83 -6.332 6.185 -13.895 1357 2HD2 ASN 83 2HD2 ASN 83 -5.859 7.719 -13.342 1358 H VAL 84 HN VAL 84 -12.095 7.574 -13.131 1359 HA VAL 84 HA VAL 84 -13.191 4.987 -14.151 1360 HB VAL 84 HB VAL 84 -15.365 6.509 -14.059 1361 1HG1 VAL 84 1HG1 VAL 84 -14.105 5.557 -11.486 1362 2HG1 VAL 84 2HG1 VAL 84 -14.692 4.445 -12.724 1363 3HG1 VAL 84 3HG1 VAL 84 -15.813 5.553 -11.930 1364 1HG2 VAL 84 1HG2 VAL 84 -15.267 8.143 -12.239 1365 2HG2 VAL 84 2HG2 VAL 84 -14.086 8.577 -13.477 1366 3HG2 VAL 84 3HG2 VAL 84 -13.556 7.794 -11.987 1367 H GLU 85 HN GLU 85 -14.034 4.818 -16.185 1368 HA GLU 85 HA GLU 85 -13.928 7.179 -18.012 1369 1HB GLU 85 2HB GLU 85 -12.522 5.945 -19.573 1370 2HB GLU 85 1HB GLU 85 -11.734 5.938 -17.995 1371 1HG GLU 85 2HG GLU 85 -12.671 3.697 -17.539 1372 2HG GLU 85 1HG GLU 85 -13.442 3.700 -19.125 1373 H ARG 86 HN ARG 86 -15.157 6.740 -20.042 1374 HA ARG 86 HA ARG 86 -17.435 4.943 -19.429 1375 1HB ARG 86 2HB ARG 86 -18.625 6.350 -20.968 1376 2HB ARG 86 1HB ARG 86 -17.594 7.416 -20.016 1377 1HG ARG 86 2HG ARG 86 -15.912 7.408 -21.825 1378 2HG ARG 86 1HG ARG 86 -16.947 6.346 -22.780 1379 1HD ARG 86 2HD ARG 86 -18.757 8.115 -22.631 1380 2HD ARG 86 1HD ARG 86 -17.544 9.198 -21.928 1381 HE ARG 86 HE ARG 86 -17.577 8.206 -24.709 1382 1HH1 ARG 86 1HH1 ARG 86 -15.790 9.689 -22.131 1383 2HH1 ARG 86 2HH1 ARG 86 -14.670 10.462 -23.197 1384 1HH2 ARG 86 1HH2 ARG 86 -16.113 9.207 -26.082 1385 2HH2 ARG 86 2HH2 ARG 86 -14.848 10.188 -25.423 1386 H ALA 87 HN ALA 87 -17.855 3.106 -20.565 1387 HA ALA 87 HA ALA 87 -16.386 2.612 -23.145 1388 1HB ALA 87 1HB ALA 87 -15.779 0.537 -22.373 1389 2HB ALA 87 2HB ALA 87 -17.239 0.358 -21.401 1390 3HB ALA 87 3HB ALA 87 -15.902 1.347 -20.812 1391 H ALA 88 HN ALA 88 -17.612 1.591 -24.758 1392 HA ALA 88 HA ALA 88 -20.517 1.128 -24.182 1393 1HB ALA 88 1HB ALA 88 -19.194 2.854 -26.287 1394 2HB ALA 88 2HB ALA 88 -20.289 3.383 -25.009 1395 3HB ALA 88 3HB ALA 88 -20.899 2.406 -26.346 1396 H LYS 89 HN LYS 89 -21.524 -0.319 -25.672 1397 HA LYS 89 HA LYS 89 -19.968 -2.449 -26.782 1398 1HB LYS 89 2HB LYS 89 -22.777 -1.395 -27.209 1399 2HB LYS 89 1HB LYS 89 -22.207 -2.913 -27.907 1400 1HG LYS 89 2HG LYS 89 -22.191 -3.991 -25.894 1401 2HG LYS 89 1HG LYS 89 -21.666 -2.554 -25.015 1402 1HD LYS 89 2HD LYS 89 -23.855 -1.680 -24.896 1403 2HD LYS 89 1HD LYS 89 -24.445 -2.750 -26.172 1404 1HE LYS 89 2HE LYS 89 -25.240 -3.625 -24.043 1405 2HE LYS 89 1HE LYS 89 -23.954 -4.705 -24.615 1406 1HZ LYS 89 1HZ LYS 89 -23.243 -4.237 -22.489 1407 2HZ LYS 89 2HZ LYS 89 -23.848 -2.649 -22.510 1408 3HZ LYS 89 3HZ LYS 89 -22.434 -3.035 -23.369 1409 H PHE 90 HN PHE 90 -21.369 0.495 -28.217 1410 HA PHE 90 HA PHE 90 -19.619 0.054 -30.614 1411 1HB PHE 90 2HB PHE 90 -21.503 0.952 -31.957 1412 2HB PHE 90 1HB PHE 90 -21.983 -0.500 -31.079 1413 HD1 PHE 90 HD1 PHE 90 -23.478 -0.379 -29.146 1414 HD2 PHE 90 HD2 PHE 90 -22.318 3.161 -31.291 1415 HE1 PHE 90 HE1 PHE 90 -25.277 0.898 -28.010 1416 HE2 PHE 90 HE2 PHE 90 -24.118 4.439 -30.156 1417 HZ PHE 90 HZ PHE 90 -25.597 3.307 -28.515 1418 H SER 91 HN SER 91 -18.984 2.092 -31.662 1419 HA SER 91 HA SER 91 -19.507 4.596 -30.151 1420 1HB SER 91 2HB SER 91 -17.565 3.358 -29.123 1421 2HB SER 91 1HB SER 91 -16.725 3.500 -30.664 1422 HG SER 91 HG SER 91 -16.217 5.450 -30.100 1423 H ASP 92 HN ASP 92 -18.547 6.499 -31.347 1424 HA ASP 92 HA ASP 92 -19.217 6.490 -34.112 1425 1HB ASP 92 2HB ASP 92 -17.499 8.280 -32.372 1426 2HB ASP 92 1HB ASP 92 -17.943 8.693 -34.028 1427 H GLU 93 HN GLU 93 -16.092 6.133 -32.462 1428 HA GLU 93 HA GLU 93 -13.936 5.460 -33.369 1429 1HB GLU 93 2HB GLU 93 -16.059 3.935 -34.903 1430 2HB GLU 93 1HB GLU 93 -14.339 3.561 -35.025 1431 1HG GLU 93 2HG GLU 93 -15.879 3.637 -32.415 1432 2HG GLU 93 1HG GLU 93 -15.550 2.162 -33.325 1433 H ILE 94 HN ILE 94 -14.487 7.931 -34.354 1434 HA ILE 94 HA ILE 94 -14.750 8.219 -37.179 1435 HB ILE 94 HB ILE 94 -13.281 9.832 -35.070 1436 1HG1 ILE 94 2HG1 ILE 94 -15.641 9.608 -34.569 1437 2HG1 ILE 94 1HG1 ILE 94 -15.381 11.226 -35.222 1438 1HG2 ILE 94 1HG2 ILE 94 -12.494 10.426 -37.318 1439 2HG2 ILE 94 2HG2 ILE 94 -13.512 11.713 -36.672 1440 3HG2 ILE 94 3HG2 ILE 94 -14.160 10.595 -37.872 1441 1HD1 ILE 94 1HD1 ILE 94 -17.142 10.639 -36.565 1442 2HD1 ILE 94 2HD1 ILE 94 -16.817 8.912 -36.413 1443 3HD1 ILE 94 3HD1 ILE 94 -15.861 9.896 -37.522 1444 H GLY 95 HN GLY 95 -11.895 7.706 -35.116 1445 1HA GLY 95 2HA GLY 95 -9.678 7.160 -35.680 1446 2HA GLY 95 1HA GLY 95 -10.383 6.308 -37.056 1447 H GLY 96 HN GLY 96 -9.483 9.595 -35.989 1448 1HA GLY 96 2HA GLY 96 -7.871 10.701 -37.689 1449 2HA GLY 96 1HA GLY 96 -9.133 10.320 -38.864 1450 H HIS 97 HN HIS 97 -9.276 11.619 -35.535 1451 HA HIS 97 HA HIS 97 -11.500 13.226 -35.732 1452 1HB HIS 97 2HB HIS 97 -10.185 12.947 -33.702 1453 2HB HIS 97 1HB HIS 97 -8.826 13.810 -34.422 1454 HD1 HIS 97 HD1 HIS 97 -12.536 14.539 -33.838 1455 HD2 HIS 97 HD2 HIS 97 -8.838 16.453 -33.657 1456 HE1 HIS 97 HE1 HIS 97 -12.991 16.904 -33.052 1457 HN3 RBF 98 HN3 RBF 98 4.195 6.633 -13.402 1458 HC6 RBF 98 HC6 RBF 98 3.447 5.162 -20.149 1459 1HC7 RBF 98 1HC7 RBF 98 2.014 6.347 -23.258 1460 2HC7 RBF 98 2HC7 RBF 98 1.371 4.811 -22.639 1461 3HC7 RBF 98 3HC7 RBF 98 3.106 5.170 -22.498 1462 1HC8 RBF 98 1HC8 RBF 98 0.616 7.683 -23.046 1463 2HC8 RBF 98 2HC8 RBF 98 -0.530 8.498 -21.961 1464 3HC8 RBF 98 3HC8 RBF 98 -0.745 6.779 -22.351 1465 HC9 RBF 98 HC9 RBF 98 -0.178 8.512 -19.630 1466 1HC1 RBF 98 1HC1 RBF 98 0.189 9.399 -16.154 1467 2HC1 RBF 98 2HC1 RBF 98 -0.818 8.575 -17.362 1468 HC2* RBF 98 HC2* RBF 98 -0.449 10.198 -18.887 1469 HO2* RBF 98 HO2* RBF 98 2.326 10.374 -18.219 1470 HC3* RBF 98 HC3* RBF 98 0.745 12.312 -17.987 1471 HO3* RBF 98 HO3* RBF 98 2.016 11.532 -16.351 1472 HC4* RBF 98 HC4* RBF 98 -1.477 11.234 -16.220 1473 HO4* RBF 98 HO4* RBF 98 -2.795 12.147 -18.074 1474 1HC5 RBF 98 1HC5 RBF 98 -2.242 13.590 -16.363 1475 2HC5 RBF 98 2HC5 RBF 98 -0.592 13.485 -15.713 1476 HO5* RBF 98 HO5* RBF 98 -1.372 14.167 -18.389 1477 HN3 RBF 99 HN3 RBF 99 -18.770 -6.485 -12.428 1478 HC6 RBF 99 HC6 RBF 99 -18.252 -5.630 -19.302 1479 1HC7 RBF 99 1HC7 RBF 99 -16.927 -7.100 -22.337 1480 2HC7 RBF 99 2HC7 RBF 99 -16.263 -5.517 -21.883 1481 3HC7 RBF 99 3HC7 RBF 99 -17.991 -5.854 -21.650 1482 1HC8 RBF 99 1HC8 RBF 99 -15.524 -8.417 -22.052 1483 2HC8 RBF 99 2HC8 RBF 99 -14.343 -9.135 -20.937 1484 3HC8 RBF 99 3HC8 RBF 99 -14.139 -7.459 -21.490 1485 HC9 RBF 99 HC9 RBF 99 -14.615 -8.935 -18.603 1486 1HC1 RBF 99 1HC1 RBF 99 -14.863 -9.501 -15.052 1487 2HC1 RBF 99 2HC1 RBF 99 -13.897 -8.794 -16.363 1488 HC2* RBF 99 HC2* RBF 99 -14.324 -10.548 -17.718 1489 HO2* RBF 99 HO2* RBF 99 -17.072 -10.651 -16.945 1490 HC3* RBF 99 HC3* RBF 99 -15.485 -12.566 -16.592 1491 HO3* RBF 99 HO3* RBF 99 -16.697 -11.636 -14.991 1492 HC4* RBF 99 HC4* RBF 99 -13.202 -11.342 -15.007 1493 HO4* RBF 99 HO4* RBF 99 -11.949 -12.424 -16.814 1494 1HC5 RBF 99 1HC5 RBF 99 -12.446 -13.704 -14.961 1495 2HC5 RBF 99 2HC5 RBF 99 -14.072 -13.533 -14.267 1496 HO5* RBF 99 HO5* RBF 99 -13.385 -14.458 -16.895 Start of MODEL 3 1 1H MET 1 1HT MET 1 -14.382 -2.833 -29.794 2 2H MET 1 2HT MET 1 -15.844 -3.597 -30.196 3 3H MET 1 3HT MET 1 -14.372 -4.224 -30.765 4 HA MET 1 HA MET 1 -15.721 -4.833 -28.365 5 1HB MET 1 2HB MET 1 -13.142 -5.625 -29.743 6 2HB MET 1 1HB MET 1 -13.751 -6.457 -28.311 7 1HG MET 1 2HG MET 1 -15.858 -6.960 -29.497 8 2HG MET 1 1HG MET 1 -15.249 -6.130 -30.928 9 1HE MET 1 1HE MET 1 -13.866 -7.129 -32.699 10 2HE MET 1 2HE MET 1 -12.549 -8.255 -32.380 11 3HE MET 1 3HE MET 1 -12.578 -6.691 -31.568 12 H PHE 2 HN PHE 2 -14.522 -5.140 -26.257 13 HA PHE 2 HA PHE 2 -12.145 -3.658 -25.655 14 1HB PHE 2 2HB PHE 2 -13.035 -1.710 -24.694 15 2HB PHE 2 1HB PHE 2 -14.057 -1.925 -26.111 16 HD1 PHE 2 HD1 PHE 2 -14.237 -0.962 -22.858 17 HD2 PHE 2 HD2 PHE 2 -16.022 -3.859 -25.475 18 HE1 PHE 2 HE1 PHE 2 -16.196 -1.105 -21.352 19 HE2 PHE 2 HE2 PHE 2 -18.000 -3.993 -23.981 20 HZ PHE 2 HZ PHE 2 -18.090 -2.613 -21.917 21 H THR 3 HN THR 3 -11.380 -4.431 -23.687 22 HA THR 3 HA THR 3 -13.316 -6.004 -22.022 23 HB THR 3 HB THR 3 -11.699 -7.802 -22.051 24 HG1 THR 3 HG1 THR 3 -9.685 -7.326 -22.256 25 1HG2 THR 3 1HG2 THR 3 -11.343 -8.076 -24.574 26 2HG2 THR 3 2HG2 THR 3 -12.147 -6.516 -24.751 27 3HG2 THR 3 3HG2 THR 3 -13.005 -7.874 -24.027 28 H GLY 4 HN GLY 4 -10.320 -4.139 -22.182 29 1HA GLY 4 2HA GLY 4 -8.897 -3.367 -20.475 30 2HA GLY 4 1HA GLY 4 -10.397 -3.042 -19.603 31 H ILE 5 HN ILE 5 -9.655 -6.318 -20.585 32 HA ILE 5 HA ILE 5 -9.748 -7.155 -17.770 33 HB ILE 5 HB ILE 5 -9.367 -8.678 -20.369 34 1HG1 ILE 5 2HG1 ILE 5 -11.830 -8.125 -18.685 35 2HG1 ILE 5 1HG1 ILE 5 -11.482 -7.433 -20.265 36 1HG2 ILE 5 1HG2 ILE 5 -9.824 -10.659 -19.157 37 2HG2 ILE 5 2HG2 ILE 5 -10.391 -9.765 -17.746 38 3HG2 ILE 5 3HG2 ILE 5 -8.672 -9.789 -18.144 39 1HD1 ILE 5 1HD1 ILE 5 -11.183 -10.186 -20.639 40 2HD1 ILE 5 2HD1 ILE 5 -12.549 -9.205 -21.169 41 3HD1 ILE 5 3HD1 ILE 5 -12.609 -10.033 -19.614 42 H VAL 6 HN VAL 6 -8.038 -7.926 -16.555 43 HA VAL 6 HA VAL 6 -5.328 -7.346 -17.593 44 HB VAL 6 HB VAL 6 -6.767 -7.527 -15.004 45 1HG1 VAL 6 1HG1 VAL 6 -3.783 -8.050 -15.119 46 2HG1 VAL 6 2HG1 VAL 6 -4.989 -9.272 -14.724 47 3HG1 VAL 6 3HG1 VAL 6 -4.763 -7.880 -13.664 48 1HG2 VAL 6 1HG2 VAL 6 -5.002 -5.734 -16.510 49 2HG2 VAL 6 2HG2 VAL 6 -4.642 -5.784 -14.785 50 3HG2 VAL 6 3HG2 VAL 6 -6.260 -5.347 -15.335 51 H GLN 7 HN GLN 7 -3.773 -8.897 -17.927 52 HA GLN 7 HA GLN 7 -4.525 -11.671 -18.218 53 1HB GLN 7 2HB GLN 7 -1.921 -10.129 -18.270 54 2HB GLN 7 1HB GLN 7 -2.011 -11.855 -18.621 55 1HG GLN 7 2HG GLN 7 -3.624 -9.737 -20.070 56 2HG GLN 7 1HG GLN 7 -2.118 -10.428 -20.678 57 1HE2 GLN 7 1HE2 GLN 7 -5.288 -10.707 -21.265 58 2HE2 GLN 7 2HE2 GLN 7 -5.419 -12.372 -21.567 59 H GLY 8 HN GLY 8 -2.820 -9.836 -15.668 60 1HA GLY 8 2HA GLY 8 -3.024 -12.209 -13.904 61 2HA GLY 8 1HA GLY 8 -1.395 -11.680 -14.320 62 H THR 9 HN THR 9 -1.964 -11.610 -11.694 63 HA THR 9 HA THR 9 -2.650 -8.750 -11.121 64 HB THR 9 HB THR 9 -2.893 -10.012 -8.745 65 HG1 THR 9 HG1 THR 9 -2.594 -12.057 -9.177 66 1HG2 THR 9 1HG2 THR 9 -4.839 -9.821 -11.046 67 2HG2 THR 9 2HG2 THR 9 -4.700 -8.760 -9.645 68 3HG2 THR 9 3HG2 THR 9 -5.333 -10.395 -9.454 69 H ALA 10 HN ALA 10 -1.481 -7.915 -9.133 70 HA ALA 10 HA ALA 10 1.294 -9.019 -8.864 71 1HB ALA 10 1HB ALA 10 1.977 -7.223 -10.060 72 2HB ALA 10 2HB ALA 10 1.433 -6.217 -8.718 73 3HB ALA 10 3HB ALA 10 0.348 -6.541 -10.073 74 H LYS 11 HN LYS 11 2.189 -8.684 -6.794 75 HA LYS 11 HA LYS 11 0.230 -7.750 -4.725 76 1HB LYS 11 2HB LYS 11 1.059 -10.057 -4.562 77 2HB LYS 11 1HB LYS 11 2.719 -9.467 -4.565 78 1HG LYS 11 2HG LYS 11 2.340 -8.252 -2.486 79 2HG LYS 11 1HG LYS 11 0.641 -8.718 -2.493 80 1HD LYS 11 2HD LYS 11 1.083 -10.794 -1.696 81 2HD LYS 11 1HD LYS 11 2.510 -10.984 -2.719 82 1HE LYS 11 2HE LYS 11 3.869 -9.681 -1.192 83 2HE LYS 11 1HE LYS 11 2.443 -9.239 -0.231 84 1HZ LYS 11 1HZ LYS 11 3.579 -11.129 0.761 85 2HZ LYS 11 2HZ LYS 11 3.441 -12.003 -0.690 86 3HZ LYS 11 3HZ LYS 11 2.048 -11.593 0.195 87 H LEU 12 HN LEU 12 0.632 -5.662 -4.097 88 HA LEU 12 HA LEU 12 3.116 -4.245 -4.380 89 1HB LEU 12 2HB LEU 12 0.658 -3.477 -3.866 90 2HB LEU 12 1HB LEU 12 1.080 -3.819 -2.201 91 HG LEU 12 HG LEU 12 2.870 -2.211 -2.237 92 1HD1 LEU 12 1HD1 LEU 12 2.322 -2.206 -5.206 93 2HD1 LEU 12 2HD1 LEU 12 3.852 -2.490 -4.376 94 3HD1 LEU 12 3HD1 LEU 12 3.165 -0.866 -4.428 95 1HD2 LEU 12 1HD2 LEU 12 0.155 -1.545 -2.752 96 2HD2 LEU 12 2HD2 LEU 12 1.140 -0.424 -3.693 97 3HD2 LEU 12 3HD2 LEU 12 1.371 -0.550 -1.948 98 H VAL 13 HN VAL 13 4.934 -4.512 -3.194 99 HA VAL 13 HA VAL 13 4.708 -5.936 -0.572 100 HB VAL 13 HB VAL 13 5.552 -7.499 -2.113 101 1HG1 VAL 13 1HG1 VAL 13 6.609 -5.147 -3.458 102 2HG1 VAL 13 2HG1 VAL 13 6.213 -6.736 -4.119 103 3HG1 VAL 13 3HG1 VAL 13 7.788 -6.453 -3.373 104 1HG2 VAL 13 1HG2 VAL 13 8.027 -6.173 -0.987 105 2HG2 VAL 13 2HG2 VAL 13 7.844 -7.875 -1.413 106 3HG2 VAL 13 3HG2 VAL 13 6.947 -7.206 -0.049 107 H SER 14 HN SER 14 6.366 -3.529 -2.532 108 HA SER 14 HA SER 14 7.369 -2.307 0.017 109 1HB SER 14 2HB SER 14 8.909 -3.909 -1.648 110 2HB SER 14 1HB SER 14 9.343 -2.273 -2.134 111 HG SER 14 HG SER 14 9.961 -1.827 -0.070 112 H ILE 15 HN ILE 15 7.540 -0.049 -0.087 113 HA ILE 15 HA ILE 15 6.826 1.227 -2.711 114 HB ILE 15 HB ILE 15 6.658 2.436 0.061 115 1HG1 ILE 15 2HG1 ILE 15 4.580 0.925 -1.546 116 2HG1 ILE 15 1HG1 ILE 15 5.240 0.484 0.027 117 1HG2 ILE 15 1HG2 ILE 15 4.784 3.664 -1.462 118 2HG2 ILE 15 2HG2 ILE 15 5.946 3.231 -2.714 119 3HG2 ILE 15 3HG2 ILE 15 6.453 4.231 -1.354 120 1HD1 ILE 15 1HD1 ILE 15 3.634 1.701 1.031 121 2HD1 ILE 15 2HD1 ILE 15 3.002 2.188 -0.541 122 3HD1 ILE 15 3HD1 ILE 15 4.258 3.149 0.244 123 H ASP 16 HN ASP 16 8.351 2.514 -3.614 124 HA ASP 16 HA ASP 16 10.722 3.312 -1.976 125 1HB ASP 16 2HB ASP 16 10.270 2.651 -4.877 126 2HB ASP 16 1HB ASP 16 11.664 3.617 -4.392 127 H GLU 17 HN GLU 17 10.506 5.449 -1.355 128 HA GLU 17 HA GLU 17 8.954 7.268 -3.148 129 1HB GLU 17 2HB GLU 17 9.704 7.292 -0.213 130 2HB GLU 17 1HB GLU 17 8.897 8.646 -1.007 131 1HG GLU 17 2HG GLU 17 7.047 7.155 -1.675 132 2HG GLU 17 1HG GLU 17 7.851 5.802 -0.879 133 H LYS 18 HN LYS 18 10.262 8.456 -4.486 134 HA LYS 18 HA LYS 18 12.867 9.472 -3.399 135 1HB LYS 18 2HB LYS 18 12.073 9.477 -6.307 136 2HB LYS 18 1HB LYS 18 13.686 9.386 -5.605 137 1HG LYS 18 2HG LYS 18 12.505 7.105 -4.614 138 2HG LYS 18 1HG LYS 18 11.787 7.225 -6.221 139 1HD LYS 18 2HD LYS 18 14.656 7.806 -6.225 140 2HD LYS 18 1HD LYS 18 14.293 6.178 -5.650 141 1HE LYS 18 2HE LYS 18 13.157 5.602 -7.668 142 2HE LYS 18 1HE LYS 18 13.068 7.298 -8.187 143 1HZ LYS 18 1HZ LYS 18 15.420 7.398 -8.387 144 2HZ LYS 18 2HZ LYS 18 14.919 6.005 -9.221 145 3HZ LYS 18 3HZ LYS 18 15.620 5.869 -7.680 146 HA PRO 19 HA PRO 19 10.906 13.418 -3.084 147 1HB PRO 19 2HB PRO 19 13.259 14.869 -3.692 148 2HB PRO 19 1HB PRO 19 12.693 14.409 -2.076 149 1HG PRO 19 2HG PRO 19 14.726 13.119 -3.803 150 2HG PRO 19 1HG PRO 19 14.648 13.233 -2.038 151 1HD PRO 19 2HD PRO 19 14.091 10.946 -3.320 152 2HD PRO 19 1HD PRO 19 13.206 11.429 -1.852 153 H ASN 20 HN ASN 20 13.001 12.602 -5.832 154 HA ASN 20 HA ASN 20 11.931 14.668 -7.595 155 1HB ASN 20 2HB ASN 20 13.251 12.056 -8.364 156 2HB ASN 20 1HB ASN 20 13.325 13.601 -9.212 157 1HD2 ASN 20 1HD2 ASN 20 14.949 11.631 -6.946 158 2HD2 ASN 20 2HD2 ASN 20 16.032 12.792 -6.355 159 H PHE 21 HN PHE 21 11.297 11.217 -7.025 160 HA PHE 21 HA PHE 21 8.627 11.479 -8.282 161 1HB PHE 21 2HB PHE 21 10.837 9.657 -9.293 162 2HB PHE 21 1HB PHE 21 9.162 9.590 -9.838 163 HD1 PHE 21 HD1 PHE 21 12.352 11.261 -10.178 164 HD2 PHE 21 HD2 PHE 21 8.136 11.646 -10.927 165 HE1 PHE 21 HE1 PHE 21 12.808 13.072 -11.813 166 HE2 PHE 21 HE2 PHE 21 8.592 13.457 -12.562 167 HZ PHE 21 HZ PHE 21 10.928 14.169 -13.006 168 H ARG 22 HN ARG 22 7.212 9.755 -7.608 169 HA ARG 22 HA ARG 22 8.214 8.189 -5.294 170 1HB ARG 22 2HB ARG 22 6.099 9.459 -5.145 171 2HB ARG 22 1HB ARG 22 5.450 8.524 -6.489 172 1HG ARG 22 2HG ARG 22 5.706 6.450 -5.183 173 2HG ARG 22 1HG ARG 22 6.354 7.382 -3.832 174 1HD ARG 22 2HD ARG 22 4.228 8.636 -3.668 175 2HD ARG 22 1HD ARG 22 3.570 7.690 -5.019 176 HE ARG 22 HE ARG 22 4.434 5.722 -3.336 177 1HH1 ARG 22 1HH1 ARG 22 2.544 8.581 -2.876 178 2HH1 ARG 22 2HH1 ARG 22 1.652 7.927 -1.546 179 1HH2 ARG 22 1HH2 ARG 22 3.272 4.866 -1.604 180 2HH2 ARG 22 2HH2 ARG 22 2.060 5.829 -0.827 181 H THR 23 HN THR 23 8.207 5.936 -5.285 182 HA THR 23 HA THR 23 7.808 4.584 -7.927 183 HB THR 23 HB THR 23 9.977 4.206 -5.834 184 HG1 THR 23 HG1 THR 23 11.105 5.573 -6.970 185 1HG2 THR 23 1HG2 THR 23 10.458 3.183 -8.527 186 2HG2 THR 23 2HG2 THR 23 9.058 2.424 -7.767 187 3HG2 THR 23 3HG2 THR 23 10.632 2.369 -6.972 188 H HIS 24 HN HIS 24 6.771 2.568 -7.794 189 HA HIS 24 HA HIS 24 6.326 1.466 -5.041 190 1HB HIS 24 2HB HIS 24 4.466 2.423 -7.069 191 2HB HIS 24 1HB HIS 24 4.115 0.765 -6.574 192 HD1 HIS 24 HD1 HIS 24 2.994 3.913 -5.679 193 HD2 HIS 24 HD2 HIS 24 4.693 0.859 -3.408 194 HE1 HIS 24 HE1 HIS 24 2.357 4.367 -3.267 195 H VAL 25 HN VAL 25 6.695 -0.725 -4.864 196 HA VAL 25 HA VAL 25 7.359 -2.187 -7.390 197 HB VAL 25 HB VAL 25 8.299 -2.768 -4.589 198 1HG1 VAL 25 1HG1 VAL 25 9.881 -3.270 -7.073 199 2HG1 VAL 25 2HG1 VAL 25 8.511 -4.328 -6.734 200 3HG1 VAL 25 3HG1 VAL 25 9.829 -4.193 -5.570 201 1HG2 VAL 25 1HG2 VAL 25 9.199 -0.692 -6.544 202 2HG2 VAL 25 2HG2 VAL 25 10.432 -1.539 -5.610 203 3HG2 VAL 25 3HG2 VAL 25 9.169 -0.630 -4.781 204 H VAL 26 HN VAL 26 6.236 -3.988 -7.831 205 HA VAL 26 HA VAL 26 4.426 -5.106 -5.719 206 HB VAL 26 HB VAL 26 2.963 -5.655 -7.596 207 1HG1 VAL 26 1HG1 VAL 26 3.650 -3.051 -6.825 208 2HG1 VAL 26 2HG1 VAL 26 2.190 -3.533 -7.689 209 3HG1 VAL 26 3HG1 VAL 26 3.608 -2.994 -8.588 210 1HG2 VAL 26 1HG2 VAL 26 3.592 -5.230 -9.898 211 2HG2 VAL 26 2HG2 VAL 26 4.855 -6.214 -9.158 212 3HG2 VAL 26 3HG2 VAL 26 5.107 -4.484 -9.389 213 H GLU 27 HN GLU 27 3.953 -7.520 -6.171 214 HA GLU 27 HA GLU 27 6.491 -8.938 -6.794 215 1HB GLU 27 2HB GLU 27 4.821 -8.999 -4.666 216 2HB GLU 27 1HB GLU 27 4.078 -10.239 -5.667 217 1HG GLU 27 2HG GLU 27 7.018 -10.422 -5.470 218 2HG GLU 27 1HG GLU 27 6.159 -10.699 -3.956 219 H LEU 28 HN LEU 28 6.554 -9.738 -8.853 220 HA LEU 28 HA LEU 28 4.149 -9.934 -10.473 221 1HB LEU 28 2HB LEU 28 6.706 -9.288 -10.907 222 2HB LEU 28 1HB LEU 28 6.820 -11.006 -11.277 223 HG LEU 28 HG LEU 28 5.084 -10.810 -12.971 224 1HD1 LEU 28 1HD1 LEU 28 4.315 -8.364 -13.463 225 2HD1 LEU 28 2HD1 LEU 28 4.817 -8.045 -11.803 226 3HD1 LEU 28 3HD1 LEU 28 3.554 -9.230 -12.129 227 1HD2 LEU 28 1HD2 LEU 28 7.484 -10.109 -13.484 228 2HD2 LEU 28 2HD2 LEU 28 6.943 -8.441 -13.305 229 3HD2 LEU 28 3HD2 LEU 28 6.259 -9.457 -14.572 230 HA PRO 29 HA PRO 29 3.371 -14.173 -9.332 231 1HB PRO 29 2HB PRO 29 1.492 -14.640 -11.283 232 2HB PRO 29 1HB PRO 29 1.145 -13.838 -9.742 233 1HG PRO 29 2HG PRO 29 1.575 -12.658 -12.432 234 2HG PRO 29 1HG PRO 29 0.478 -12.153 -11.139 235 1HD PRO 29 2HD PRO 29 2.813 -10.883 -11.686 236 2HD PRO 29 1HD PRO 29 2.094 -10.938 -10.064 237 H ASP 30 HN ASP 30 3.058 -16.286 -10.798 238 HA ASP 30 HA ASP 30 5.545 -16.726 -12.125 239 1HB ASP 30 2HB ASP 30 4.494 -18.913 -12.651 240 2HB ASP 30 1HB ASP 30 4.200 -18.438 -10.979 241 H HIS 31 HN HIS 31 2.269 -16.130 -13.435 242 HA HIS 31 HA HIS 31 3.271 -16.511 -16.173 243 1HB HIS 31 2HB HIS 31 0.914 -16.302 -16.759 244 2HB HIS 31 1HB HIS 31 1.073 -17.354 -15.357 245 HD1 HIS 31 HD1 HIS 31 1.638 -14.401 -13.710 246 HD2 HIS 31 HD2 HIS 31 -1.770 -15.862 -15.606 247 HE1 HIS 31 HE1 HIS 31 -0.330 -13.160 -12.707 248 H MET 32 HN MET 32 3.415 -13.954 -14.091 249 HA MET 32 HA MET 32 3.290 -11.977 -16.349 250 1HB MET 32 2HB MET 32 3.052 -11.700 -13.342 251 2HB MET 32 1HB MET 32 3.229 -10.315 -14.419 252 1HG MET 32 2HG MET 32 1.013 -12.380 -14.556 253 2HG MET 32 1HG MET 32 0.849 -10.744 -13.920 254 1HE MET 32 1HE MET 32 1.551 -8.482 -16.929 255 2HE MET 32 2HE MET 32 2.456 -8.967 -15.497 256 3HE MET 32 3HE MET 32 0.745 -8.570 -15.357 257 H LEU 33 HN LEU 33 5.285 -13.698 -14.143 258 HA LEU 33 HA LEU 33 7.537 -11.913 -13.963 259 1HB LEU 33 2HB LEU 33 6.964 -14.839 -13.620 260 2HB LEU 33 1HB LEU 33 8.642 -14.296 -13.615 261 HG LEU 33 HG LEU 33 6.575 -12.920 -11.893 262 1HD1 LEU 33 1HD1 LEU 33 6.356 -14.802 -10.669 263 2HD1 LEU 33 2HD1 LEU 33 8.063 -14.638 -10.256 264 3HD1 LEU 33 3HD1 LEU 33 7.578 -15.638 -11.625 265 1HD2 LEU 33 1HD2 LEU 33 8.509 -12.217 -10.658 266 2HD2 LEU 33 2HD2 LEU 33 8.880 -11.961 -12.363 267 3HD2 LEU 33 3HD2 LEU 33 9.547 -13.357 -11.515 268 H ASP 34 HN ASP 34 6.499 -14.276 -16.378 269 HA ASP 34 HA ASP 34 9.041 -14.300 -17.805 270 1HB ASP 34 2HB ASP 34 7.365 -16.161 -17.663 271 2HB ASP 34 1HB ASP 34 6.263 -15.191 -18.640 272 H GLY 35 HN GLY 35 9.568 -13.182 -19.690 273 1HA GLY 35 2HA GLY 35 9.197 -11.926 -21.648 274 2HA GLY 35 1HA GLY 35 7.492 -11.834 -21.222 275 H LEU 36 HN LEU 36 8.047 -10.655 -18.543 276 HA LEU 36 HA LEU 36 7.964 -7.909 -19.441 277 1HB LEU 36 2HB LEU 36 6.620 -8.815 -17.594 278 2HB LEU 36 1HB LEU 36 8.089 -9.158 -16.678 279 HG LEU 36 HG LEU 36 8.651 -6.719 -16.763 280 1HD1 LEU 36 1HD1 LEU 36 5.887 -5.951 -17.418 281 2HD1 LEU 36 2HD1 LEU 36 6.772 -6.638 -18.779 282 3HD1 LEU 36 3HD1 LEU 36 7.409 -5.226 -17.936 283 1HD2 LEU 36 1HD2 LEU 36 6.573 -6.055 -15.291 284 2HD2 LEU 36 2HD2 LEU 36 7.671 -7.316 -14.726 285 3HD2 LEU 36 3HD2 LEU 36 6.137 -7.753 -15.479 286 H GLU 37 HN GLU 37 9.385 -6.189 -18.785 287 HA GLU 37 HA GLU 37 12.027 -6.867 -17.629 288 1HB GLU 37 2HB GLU 37 13.206 -6.078 -19.621 289 2HB GLU 37 1HB GLU 37 12.084 -7.355 -20.095 290 1HG GLU 37 2HG GLU 37 10.424 -5.645 -20.759 291 2HG GLU 37 1HG GLU 37 11.561 -4.375 -20.309 292 H THR 38 HN THR 38 13.325 -4.755 -17.358 293 HA THR 38 HA THR 38 11.665 -2.663 -16.250 294 HB THR 38 HB THR 38 14.198 -1.628 -16.699 295 HG1 THR 38 HG1 THR 38 15.585 -3.233 -16.727 296 1HG2 THR 38 1HG2 THR 38 12.972 -3.208 -14.459 297 2HG2 THR 38 2HG2 THR 38 13.236 -1.473 -14.561 298 3HG2 THR 38 3HG2 THR 38 14.604 -2.561 -14.331 299 H GLY 39 HN GLY 39 11.442 -0.471 -17.084 300 1HA GLY 39 2HA GLY 39 11.179 1.155 -18.772 301 2HA GLY 39 1HA GLY 39 12.209 0.188 -19.821 302 H ALA 40 HN ALA 40 9.967 -1.899 -18.608 303 HA ALA 40 HA ALA 40 8.332 -1.913 -21.052 304 1HB ALA 40 1HB ALA 40 8.966 -4.010 -20.055 305 2HB ALA 40 2HB ALA 40 7.251 -3.806 -19.698 306 3HB ALA 40 3HB ALA 40 8.457 -3.468 -18.454 307 H SER 41 HN SER 41 5.896 -1.679 -20.876 308 HA SER 41 HA SER 41 5.202 0.203 -18.645 309 1HB SER 41 2HB SER 41 3.142 0.459 -20.311 310 2HB SER 41 1HB SER 41 4.666 1.274 -20.635 311 HG SER 41 HG SER 41 4.255 -1.341 -21.538 312 H VAL 42 HN VAL 42 4.155 -0.766 -16.997 313 HA VAL 42 HA VAL 42 2.499 -3.200 -17.501 314 HB VAL 42 HB VAL 42 4.121 -2.074 -15.265 315 1HG1 VAL 42 1HG1 VAL 42 2.659 -3.809 -13.823 316 2HG1 VAL 42 2HG1 VAL 42 1.395 -3.174 -14.876 317 3HG1 VAL 42 3HG1 VAL 42 2.327 -2.077 -13.857 318 1HG2 VAL 42 1HG2 VAL 42 4.943 -4.210 -15.172 319 2HG2 VAL 42 2HG2 VAL 42 4.332 -4.248 -16.827 320 3HG2 VAL 42 3HG2 VAL 42 3.370 -4.927 -15.512 321 H ALA 43 HN ALA 43 0.323 -2.875 -17.567 322 HA ALA 43 HA ALA 43 -0.811 -0.298 -16.652 323 1HB ALA 43 1HB ALA 43 -2.920 -1.578 -17.543 324 2HB ALA 43 2HB ALA 43 -1.738 -2.706 -18.204 325 3HB ALA 43 3HB ALA 43 -1.716 -1.014 -18.700 326 H HIS 44 HN HIS 44 -1.379 -0.166 -14.536 327 HA HIS 44 HA HIS 44 -1.984 -2.636 -12.998 328 1HB HIS 44 2HB HIS 44 -1.284 0.220 -12.443 329 2HB HIS 44 1HB HIS 44 -2.215 -0.643 -11.220 330 HD1 HIS 44 HD1 HIS 44 0.512 -2.170 -13.418 331 HD2 HIS 44 HD2 HIS 44 -0.176 -1.206 -9.407 332 HE1 HIS 44 HE1 HIS 44 2.444 -3.140 -12.093 333 HE2 HIS 44 HE2 HIS 44 2.033 -2.560 -9.665 334 H ASN 45 HN ASN 45 -4.013 -3.292 -13.429 335 HA ASN 45 HA ASN 45 -6.320 -3.287 -13.789 336 1HB ASN 45 2HB ASN 45 -5.886 -1.833 -11.550 337 2HB ASN 45 1HB ASN 45 -6.654 -0.608 -12.565 338 1HD2 ASN 45 1HD2 ASN 45 -7.217 -3.529 -10.748 339 2HD2 ASN 45 2HD2 ASN 45 -8.857 -3.699 -11.125 340 H GLY 46 HN GLY 46 -4.242 -1.487 -15.432 341 1HA GLY 46 2HA GLY 46 -5.031 -1.126 -17.757 342 2HA GLY 46 1HA GLY 46 -6.429 -0.298 -17.080 343 H CYS 47 HN CYS 47 -4.021 0.781 -15.136 344 HA CYS 47 HA CYS 47 -3.621 3.220 -16.792 345 1HB CYS 47 2HB CYS 47 -4.255 3.249 -14.332 346 2HB CYS 47 1HB CYS 47 -2.663 2.578 -13.978 347 HG CYS 47 HG CYS 47 -3.190 5.443 -15.068 348 H CYS 48 HN CYS 48 -1.989 2.910 -18.294 349 HA CYS 48 HA CYS 48 0.128 0.994 -17.914 350 1HB CYS 48 2HB CYS 48 0.916 1.943 -20.070 351 2HB CYS 48 1HB CYS 48 -0.820 1.634 -20.096 352 HG CYS 48 HG CYS 48 0.370 4.498 -19.653 353 H LEU 49 HN LEU 49 1.961 1.284 -16.757 354 HA LEU 49 HA LEU 49 3.247 3.966 -16.763 355 1HB LEU 49 2HB LEU 49 3.721 3.490 -14.271 356 2HB LEU 49 1HB LEU 49 2.072 3.951 -14.691 357 HG LEU 49 HG LEU 49 2.449 1.079 -14.930 358 1HD1 LEU 49 1HD1 LEU 49 3.562 2.480 -12.585 359 2HD1 LEU 49 2HD1 LEU 49 3.859 0.835 -13.162 360 3HD1 LEU 49 3HD1 LEU 49 2.429 1.181 -12.188 361 1HD2 LEU 49 1HD2 LEU 49 0.404 2.847 -14.430 362 2HD2 LEU 49 2HD2 LEU 49 0.709 2.200 -12.819 363 3HD2 LEU 49 3HD2 LEU 49 0.301 1.110 -14.143 364 H THR 50 HN THR 50 5.594 3.791 -16.388 365 HA THR 50 HA THR 50 6.542 1.293 -17.616 366 HB THR 50 HB THR 50 8.026 3.860 -16.971 367 HG1 THR 50 HG1 THR 50 5.963 3.531 -18.547 368 1HG2 THR 50 1HG2 THR 50 8.514 1.572 -18.898 369 2HG2 THR 50 2HG2 THR 50 9.552 2.095 -17.572 370 3HG2 THR 50 3HG2 THR 50 9.361 3.116 -18.997 371 H VAL 51 HN VAL 51 8.421 0.152 -16.885 372 HA VAL 51 HA VAL 51 8.495 -0.231 -13.991 373 HB VAL 51 HB VAL 51 10.195 -1.453 -16.190 374 1HG1 VAL 51 1HG1 VAL 51 9.576 -2.091 -13.340 375 2HG1 VAL 51 2HG1 VAL 51 11.092 -2.261 -14.225 376 3HG1 VAL 51 3HG1 VAL 51 9.795 -3.431 -14.465 377 1HG2 VAL 51 1HG2 VAL 51 8.151 -3.221 -15.644 378 2HG2 VAL 51 2HG2 VAL 51 8.242 -2.162 -17.052 379 3HG2 VAL 51 3HG2 VAL 51 7.328 -1.660 -15.629 380 H THR 52 HN THR 52 9.763 1.083 -12.745 381 HA THR 52 HA THR 52 12.102 2.527 -13.713 382 HB THR 52 HB THR 52 12.327 3.076 -11.337 383 HG1 THR 52 HG1 THR 52 10.554 1.963 -10.028 384 1HG2 THR 52 1HG2 THR 52 9.564 3.310 -11.065 385 2HG2 THR 52 2HG2 THR 52 9.828 3.283 -12.808 386 3HG2 THR 52 3HG2 THR 52 10.643 4.488 -11.812 387 H GLU 53 HN GLU 53 11.482 -0.469 -11.895 388 HA GLU 53 HA GLU 53 14.116 -1.533 -12.707 389 1HB GLU 53 2HB GLU 53 14.632 -0.006 -10.842 390 2HB GLU 53 1HB GLU 53 13.453 -0.840 -9.828 391 1HG GLU 53 2HG GLU 53 15.731 -1.646 -9.350 392 2HG GLU 53 1HG GLU 53 14.748 -2.933 -10.050 393 H ILE 54 HN ILE 54 14.342 -3.784 -12.135 394 HA ILE 54 HA ILE 54 11.839 -5.096 -11.099 395 HB ILE 54 HB ILE 54 14.086 -6.141 -12.867 396 1HG1 ILE 54 2HG1 ILE 54 11.292 -6.099 -13.808 397 2HG1 ILE 54 1HG1 ILE 54 12.009 -4.508 -13.579 398 1HG2 ILE 54 1HG2 ILE 54 12.103 -7.953 -13.097 399 2HG2 ILE 54 2HG2 ILE 54 11.807 -7.422 -11.441 400 3HG2 ILE 54 3HG2 ILE 54 13.376 -8.095 -11.884 401 1HD1 ILE 54 1HD1 ILE 54 13.859 -6.339 -14.893 402 2HD1 ILE 54 2HD1 ILE 54 13.318 -4.744 -15.420 403 3HD1 ILE 54 3HD1 ILE 54 12.356 -6.174 -15.801 404 H ASN 55 HN ASN 55 12.056 -6.045 -9.165 405 HA ASN 55 HA ASN 55 14.796 -6.347 -8.010 406 1HB ASN 55 2HB ASN 55 12.010 -5.946 -6.930 407 2HB ASN 55 1HB ASN 55 13.286 -6.570 -5.883 408 1HD2 ASN 55 1HD2 ASN 55 11.937 -3.697 -7.189 409 2HD2 ASN 55 2HD2 ASN 55 13.183 -2.636 -6.740 410 H GLY 56 HN GLY 56 14.576 -8.318 -9.677 411 1HA GLY 56 2HA GLY 56 14.616 -10.698 -9.745 412 2HA GLY 56 1HA GLY 56 13.981 -10.731 -8.097 413 H ASN 57 HN ASN 57 11.877 -11.362 -7.926 414 HA ASN 57 HA ASN 57 10.205 -11.503 -10.328 415 1HB ASN 57 2HB ASN 57 9.139 -13.091 -9.105 416 2HB ASN 57 1HB ASN 57 10.443 -12.891 -7.955 417 1HD2 ASN 57 1HD2 ASN 57 7.341 -11.385 -8.800 418 2HD2 ASN 57 2HD2 ASN 57 6.863 -11.036 -7.209 419 H HIS 58 HN HIS 58 10.820 -9.284 -7.751 420 HA HIS 58 HA HIS 58 8.234 -7.946 -7.766 421 1HB HIS 58 2HB HIS 58 10.995 -7.478 -6.695 422 2HB HIS 58 1HB HIS 58 9.814 -6.175 -6.625 423 HD1 HIS 58 HD1 HIS 58 11.037 -8.525 -4.418 424 HD2 HIS 58 HD2 HIS 58 7.140 -7.661 -5.629 425 HE1 HIS 58 HE1 HIS 58 9.505 -9.408 -2.607 426 H VAL 59 HN VAL 59 7.913 -5.727 -8.555 427 HA VAL 59 HA VAL 59 9.961 -4.758 -10.472 428 HB VAL 59 HB VAL 59 7.045 -5.320 -11.040 429 1HG1 VAL 59 1HG1 VAL 59 7.732 -3.072 -11.897 430 2HG1 VAL 59 2HG1 VAL 59 7.376 -4.217 -13.191 431 3HG1 VAL 59 3HG1 VAL 59 9.048 -3.852 -12.768 432 1HG2 VAL 59 1HG2 VAL 59 9.638 -6.546 -11.638 433 2HG2 VAL 59 2HG2 VAL 59 8.681 -6.244 -13.092 434 3HG2 VAL 59 3HG2 VAL 59 8.016 -7.229 -11.788 435 H SER 60 HN SER 60 10.401 -2.711 -9.851 436 HA SER 60 HA SER 60 8.505 -1.093 -8.280 437 1HB SER 60 2HB SER 60 11.269 -0.506 -9.387 438 2HB SER 60 1HB SER 60 10.441 0.398 -8.124 439 HG SER 60 HG SER 60 11.946 -1.788 -7.903 440 H PHE 61 HN PHE 61 7.146 0.411 -9.280 441 HA PHE 61 HA PHE 61 7.743 1.120 -12.125 442 1HB PHE 61 2HB PHE 61 5.161 1.152 -10.520 443 2HB PHE 61 1HB PHE 61 5.304 1.566 -12.225 444 HD1 PHE 61 HD1 PHE 61 4.457 -1.004 -10.022 445 HD2 PHE 61 HD2 PHE 61 6.656 -0.304 -13.649 446 HE1 PHE 61 HE1 PHE 61 4.217 -3.398 -10.629 447 HE2 PHE 61 HE2 PHE 61 6.418 -2.699 -14.255 448 HZ PHE 61 HZ PHE 61 5.197 -4.246 -12.746 449 H ASP 62 HN ASP 62 7.247 3.393 -12.736 450 HA ASP 62 HA ASP 62 7.935 5.268 -10.526 451 1HB ASP 62 2HB ASP 62 8.281 6.841 -12.435 452 2HB ASP 62 1HB ASP 62 9.195 5.351 -12.641 453 H LEU 63 HN LEU 63 6.708 7.002 -9.942 454 HA LEU 63 HA LEU 63 4.053 7.459 -11.159 455 1HB LEU 63 2HB LEU 63 4.629 5.703 -8.949 456 2HB LEU 63 1HB LEU 63 3.663 7.052 -8.376 457 HG LEU 63 HG LEU 63 2.627 6.155 -10.905 458 1HD1 LEU 63 1HD1 LEU 63 3.797 4.072 -9.372 459 2HD1 LEU 63 2HD1 LEU 63 2.747 3.910 -10.784 460 3HD1 LEU 63 3HD1 LEU 63 2.047 3.932 -9.165 461 1HD2 LEU 63 1HD2 LEU 63 1.570 7.324 -8.780 462 2HD2 LEU 63 2HD2 LEU 63 1.292 5.665 -8.253 463 3HD2 LEU 63 3HD2 LEU 63 0.581 6.241 -9.761 464 H MET 64 HN MET 64 4.150 9.715 -11.259 465 HA MET 64 HA MET 64 5.738 11.313 -9.440 466 1HB MET 64 2HB MET 64 5.048 11.861 -11.811 467 2HB MET 64 1HB MET 64 3.416 12.143 -11.209 468 1HG MET 64 2HG MET 64 4.307 13.858 -9.649 469 2HG MET 64 1HG MET 64 5.917 13.610 -10.325 470 1HE MET 64 1HE MET 64 6.384 15.089 -13.273 471 2HE MET 64 2HE MET 64 5.363 13.793 -13.892 472 3HE MET 64 3HE MET 64 6.420 13.492 -12.515 473 H LYS 65 HN LYS 65 5.054 12.433 -7.587 474 HA LYS 65 HA LYS 65 3.013 11.310 -5.998 475 1HB LYS 65 2HB LYS 65 4.959 12.603 -5.199 476 2HB LYS 65 1HB LYS 65 4.286 14.066 -5.919 477 1HG LYS 65 2HG LYS 65 3.757 14.040 -3.542 478 2HG LYS 65 1HG LYS 65 2.273 13.805 -4.463 479 1HD LYS 65 2HD LYS 65 2.304 11.430 -4.055 480 2HD LYS 65 1HD LYS 65 3.918 11.521 -3.347 481 1HE LYS 65 2HE LYS 65 2.896 13.114 -1.602 482 2HE LYS 65 1HE LYS 65 1.319 12.556 -2.193 483 1HZ LYS 65 1HZ LYS 65 2.089 10.261 -1.881 484 2HZ LYS 65 2HZ LYS 65 2.061 11.122 -0.417 485 3HZ LYS 65 3HZ LYS 65 3.537 10.838 -1.211 486 H GLU 66 HN GLU 66 2.955 14.364 -7.882 487 HA GLU 66 HA GLU 66 0.222 15.001 -7.179 488 1HB GLU 66 2HB GLU 66 1.916 16.634 -7.949 489 2HB GLU 66 1HB GLU 66 1.982 15.829 -9.516 490 1HG GLU 66 2HG GLU 66 -0.406 16.337 -9.883 491 2HG GLU 66 1HG GLU 66 -0.472 17.147 -8.317 492 H THR 67 HN THR 67 1.721 13.334 -9.949 493 HA THR 67 HA THR 67 -0.696 12.848 -11.440 494 HB THR 67 HB THR 67 1.834 11.196 -11.125 495 HG1 THR 67 HG1 THR 67 2.367 12.360 -13.086 496 1HG2 THR 67 1HG2 THR 67 1.001 10.803 -13.666 497 2HG2 THR 67 2HG2 THR 67 -0.557 11.024 -12.870 498 3HG2 THR 67 3HG2 THR 67 0.537 9.751 -12.330 499 H LEU 68 HN LEU 68 0.899 11.184 -8.754 500 HA LEU 68 HA LEU 68 -0.665 8.827 -8.650 501 1HB LEU 68 2HB LEU 68 1.462 9.283 -7.469 502 2HB LEU 68 1HB LEU 68 0.658 10.504 -6.489 503 HG LEU 68 HG LEU 68 -0.977 8.548 -5.871 504 1HD1 LEU 68 1HD1 LEU 68 1.485 7.132 -6.920 505 2HD1 LEU 68 2HD1 LEU 68 -0.193 6.864 -7.391 506 3HD1 LEU 68 3HD1 LEU 68 0.364 6.376 -5.790 507 1HD2 LEU 68 1HD2 LEU 68 1.213 9.736 -4.687 508 2HD2 LEU 68 2HD2 LEU 68 1.618 8.021 -4.592 509 3HD2 LEU 68 3HD2 LEU 68 0.116 8.614 -3.881 510 H ARG 69 HN ARG 69 -1.100 12.004 -7.095 511 HA ARG 69 HA ARG 69 -3.640 11.401 -5.828 512 1HB ARG 69 2HB ARG 69 -2.106 13.203 -5.148 513 2HB ARG 69 1HB ARG 69 -2.320 13.986 -6.713 514 1HG ARG 69 2HG ARG 69 -4.677 14.361 -6.263 515 2HG ARG 69 1HG ARG 69 -4.576 13.439 -4.762 516 1HD ARG 69 2HD ARG 69 -2.988 15.081 -3.839 517 2HD ARG 69 1HD ARG 69 -3.068 16.014 -5.341 518 HE ARG 69 HE ARG 69 -5.223 15.778 -3.332 519 1HH1 ARG 69 1HH1 ARG 69 -4.268 16.675 -6.547 520 2HH1 ARG 69 2HH1 ARG 69 -5.586 17.775 -6.754 521 1HH2 ARG 69 1HH2 ARG 69 -6.937 17.201 -3.621 522 2HH2 ARG 69 2HH2 ARG 69 -7.091 18.069 -5.112 523 H ILE 70 HN ILE 70 -2.699 12.850 -8.937 524 HA ILE 70 HA ILE 70 -5.281 13.730 -9.725 525 HB ILE 70 HB ILE 70 -2.674 13.898 -10.549 526 1HG1 ILE 70 2HG1 ILE 70 -5.109 14.634 -12.187 527 2HG1 ILE 70 1HG1 ILE 70 -4.479 15.575 -10.834 528 1HG2 ILE 70 1HG2 ILE 70 -2.767 13.218 -12.997 529 2HG2 ILE 70 2HG2 ILE 70 -4.160 12.223 -12.571 530 3HG2 ILE 70 3HG2 ILE 70 -2.588 11.903 -11.838 531 1HD1 ILE 70 1HD1 ILE 70 -3.393 15.253 -13.588 532 2HD1 ILE 70 2HD1 ILE 70 -2.215 15.329 -12.277 533 3HD1 ILE 70 3HD1 ILE 70 -3.352 16.656 -12.518 534 H THR 71 HN THR 71 -3.525 10.727 -10.348 535 HA THR 71 HA THR 71 -5.736 9.530 -11.861 536 HB THR 71 HB THR 71 -4.204 7.624 -11.964 537 HG1 THR 71 HG1 THR 71 -3.295 8.747 -9.670 538 1HG2 THR 71 1HG2 THR 71 -3.745 9.775 -13.282 539 2HG2 THR 71 2HG2 THR 71 -2.415 8.628 -13.125 540 3HG2 THR 71 3HG2 THR 71 -2.459 10.074 -12.115 541 H ASN 72 HN ASN 72 -5.860 7.024 -10.922 542 HA ASN 72 HA ASN 72 -6.662 7.242 -8.051 543 1HB ASN 72 2HB ASN 72 -8.523 6.561 -9.349 544 2HB ASN 72 1HB ASN 72 -7.527 5.571 -10.404 545 1HD2 ASN 72 1HD2 ASN 72 -8.764 3.617 -10.007 546 2HD2 ASN 72 2HD2 ASN 72 -8.723 2.828 -8.505 547 H LEU 73 HN LEU 73 -3.942 6.793 -9.557 548 HA LEU 73 HA LEU 73 -3.122 4.086 -8.875 549 1HB LEU 73 2HB LEU 73 -1.687 6.690 -9.470 550 2HB LEU 73 1HB LEU 73 -0.840 5.165 -9.212 551 HG LEU 73 HG LEU 73 -2.978 5.604 -11.331 552 1HD1 LEU 73 1HD1 LEU 73 -0.239 5.019 -12.189 553 2HD1 LEU 73 2HD1 LEU 73 -0.375 6.560 -11.342 554 3HD1 LEU 73 3HD1 LEU 73 -1.360 6.248 -12.772 555 1HD2 LEU 73 1HD2 LEU 73 -1.168 3.386 -11.729 556 2HD2 LEU 73 2HD2 LEU 73 -2.926 3.366 -11.600 557 3HD2 LEU 73 3HD2 LEU 73 -1.933 3.255 -10.146 558 H GLY 74 HN GLY 74 -2.912 7.265 -7.246 559 1HA GLY 74 2HA GLY 74 -1.328 6.657 -5.059 560 2HA GLY 74 1HA GLY 74 -2.711 7.738 -4.964 561 H ASP 75 HN ASP 75 -4.469 5.374 -5.812 562 HA ASP 75 HA ASP 75 -5.409 4.706 -3.220 563 1HB ASP 75 2HB ASP 75 -6.903 3.254 -4.434 564 2HB ASP 75 1HB ASP 75 -6.584 4.641 -5.473 565 H LEU 76 HN LEU 76 -2.793 3.390 -5.030 566 HA LEU 76 HA LEU 76 -2.843 0.671 -4.222 567 1HB LEU 76 2HB LEU 76 -0.615 2.585 -4.919 568 2HB LEU 76 1HB LEU 76 -0.363 0.853 -4.724 569 HG LEU 76 HG LEU 76 -2.421 2.022 -6.608 570 1HD1 LEU 76 1HD1 LEU 76 0.041 0.758 -7.673 571 2HD1 LEU 76 2HD1 LEU 76 0.252 2.354 -6.952 572 3HD1 LEU 76 3HD1 LEU 76 -0.877 2.133 -8.288 573 1HD2 LEU 76 1HD2 LEU 76 -1.989 -0.379 -7.576 574 2HD2 LEU 76 2HD2 LEU 76 -3.012 -0.199 -6.149 575 3HD2 LEU 76 3HD2 LEU 76 -1.336 -0.711 -5.969 576 H LYS 77 HN LYS 77 -1.923 -0.413 -2.519 577 HA LYS 77 HA LYS 77 -0.371 1.051 -0.465 578 1HB LYS 77 2HB LYS 77 -2.999 -0.377 0.081 579 2HB LYS 77 1HB LYS 77 -1.907 0.215 1.333 580 1HG LYS 77 2HG LYS 77 -2.141 2.511 0.459 581 2HG LYS 77 1HG LYS 77 -3.236 1.922 -0.793 582 1HD LYS 77 2HD LYS 77 -4.796 1.123 0.946 583 2HD LYS 77 1HD LYS 77 -3.704 1.715 2.197 584 1HE LYS 77 2HE LYS 77 -4.013 4.009 1.485 585 2HE LYS 77 1HE LYS 77 -4.930 3.489 0.057 586 1HZ LYS 77 1HZ LYS 77 -5.726 2.698 2.794 587 2HZ LYS 77 2HZ LYS 77 -6.656 2.660 1.373 588 3HZ LYS 77 3HZ LYS 77 -6.272 4.146 2.101 589 H VAL 78 HN VAL 78 1.150 -0.327 0.439 590 HA VAL 78 HA VAL 78 1.719 -2.782 -0.843 591 HB VAL 78 HB VAL 78 2.561 -1.903 1.933 592 1HG1 VAL 78 1HG1 VAL 78 3.182 -4.188 0.487 593 2HG1 VAL 78 2HG1 VAL 78 4.166 -3.499 1.781 594 3HG1 VAL 78 3HG1 VAL 78 4.519 -3.095 0.099 595 1HG2 VAL 78 1HG2 VAL 78 4.355 -1.207 -0.222 596 2HG2 VAL 78 2HG2 VAL 78 3.634 -0.163 1.002 597 3HG2 VAL 78 3HG2 VAL 78 2.764 -0.498 -0.495 598 H GLY 79 HN GLY 79 1.544 -4.944 -0.107 599 1HA GLY 79 2HA GLY 79 0.659 -6.707 1.250 600 2HA GLY 79 1HA GLY 79 -0.216 -5.504 2.200 601 H ASP 80 HN ASP 80 -0.885 -4.306 -0.632 602 HA ASP 80 HA ASP 80 -3.335 -5.963 -1.037 603 1HB ASP 80 2HB ASP 80 -3.227 -3.390 -0.692 604 2HB ASP 80 1HB ASP 80 -2.621 -3.336 -2.345 605 H TRP 81 HN TRP 81 -3.942 -6.248 -3.426 606 HA TRP 81 HA TRP 81 -1.466 -6.713 -5.060 607 1HB TRP 81 2HB TRP 81 -4.086 -8.212 -4.828 608 2HB TRP 81 1HB TRP 81 -2.974 -8.478 -6.165 609 HD1 TRP 81 HD1 TRP 81 -2.376 -8.089 -2.350 610 HE1 TRP 81 HE1 TRP 81 -0.876 -10.029 -1.583 611 HE3 TRP 81 HE3 TRP 81 -1.876 -10.620 -6.761 612 HZ2 TRP 81 HZ2 TRP 81 0.365 -12.359 -2.678 613 HZ3 TRP 81 HZ3 TRP 81 -0.530 -12.702 -6.869 614 HH2 TRP 81 HH2 TRP 81 0.589 -13.572 -4.832 615 H VAL 82 HN VAL 82 -1.990 -6.631 -7.473 616 HA VAL 82 HA VAL 82 -4.074 -4.590 -8.110 617 HB VAL 82 HB VAL 82 -2.054 -3.347 -7.901 618 1HG1 VAL 82 1HG1 VAL 82 -0.238 -4.711 -7.677 619 2HG1 VAL 82 2HG1 VAL 82 -0.061 -4.424 -9.408 620 3HG1 VAL 82 3HG1 VAL 82 -0.864 -5.887 -8.833 621 1HG2 VAL 82 1HG2 VAL 82 -2.050 -2.403 -9.968 622 2HG2 VAL 82 2HG2 VAL 82 -3.230 -3.645 -10.393 623 3HG2 VAL 82 3HG2 VAL 82 -1.515 -3.904 -10.730 624 H ASN 83 HN ASN 83 -4.912 -4.771 -10.211 625 HA ASN 83 HA ASN 83 -4.537 -7.278 -11.690 626 1HB ASN 83 2HB ASN 83 -6.246 -4.890 -11.637 627 2HB ASN 83 1HB ASN 83 -5.857 -5.395 -13.276 628 1HD2 ASN 83 1HD2 ASN 83 -8.473 -5.730 -12.702 629 2HD2 ASN 83 2HD2 ASN 83 -8.848 -7.349 -12.359 630 H VAL 84 HN VAL 84 -2.458 -7.415 -12.559 631 HA VAL 84 HA VAL 84 -1.377 -4.981 -13.907 632 HB VAL 84 HB VAL 84 0.764 -6.564 -13.789 633 1HG1 VAL 84 1HG1 VAL 84 -0.306 -5.235 -11.293 634 2HG1 VAL 84 2HG1 VAL 84 0.271 -4.332 -12.696 635 3HG1 VAL 84 3HG1 VAL 84 1.375 -5.384 -11.809 636 1HG2 VAL 84 1HG2 VAL 84 -0.536 -8.496 -12.870 637 2HG2 VAL 84 2HG2 VAL 84 -0.925 -7.521 -11.452 638 3HG2 VAL 84 3HG2 VAL 84 0.750 -7.965 -11.786 639 H GLU 85 HN GLU 85 -0.812 -4.988 -16.015 640 HA GLU 85 HA GLU 85 -1.104 -7.531 -17.579 641 1HB GLU 85 2HB GLU 85 -3.259 -6.331 -17.498 642 2HB GLU 85 1HB GLU 85 -2.471 -4.867 -18.088 643 1HG GLU 85 2HG GLU 85 -1.845 -6.036 -20.168 644 2HG GLU 85 1HG GLU 85 -2.635 -7.501 -19.582 645 H ARG 86 HN ARG 86 0.304 -7.624 -19.356 646 HA ARG 86 HA ARG 86 2.557 -5.877 -19.508 647 1HB ARG 86 2HB ARG 86 1.258 -7.764 -21.500 648 2HB ARG 86 1HB ARG 86 2.858 -7.055 -21.722 649 1HG ARG 86 2HG ARG 86 3.613 -8.087 -19.610 650 2HG ARG 86 1HG ARG 86 2.016 -8.801 -19.388 651 1HD ARG 86 2HD ARG 86 2.320 -9.958 -21.629 652 2HD ARG 86 1HD ARG 86 4.008 -9.408 -21.595 653 HE ARG 86 HE ARG 86 3.684 -10.536 -19.104 654 1HH1 ARG 86 1HH1 ARG 86 3.044 -11.563 -22.343 655 2HH1 ARG 86 2HH1 ARG 86 3.307 -13.238 -21.998 656 1HH2 ARG 86 1HH2 ARG 86 4.026 -12.720 -18.648 657 2HH2 ARG 86 2HH2 ARG 86 3.861 -13.893 -19.912 658 H ALA 87 HN ALA 87 2.773 -3.895 -20.497 659 HA ALA 87 HA ALA 87 0.623 -3.027 -22.397 660 1HB ALA 87 1HB ALA 87 0.996 -2.099 -19.874 661 2HB ALA 87 2HB ALA 87 0.366 -1.096 -21.183 662 3HB ALA 87 3HB ALA 87 2.078 -1.019 -20.758 663 H ALA 88 HN ALA 88 1.341 -1.747 -24.156 664 HA ALA 88 HA ALA 88 4.279 -1.304 -24.455 665 1HB ALA 88 1HB ALA 88 3.798 -2.406 -26.817 666 2HB ALA 88 2HB ALA 88 2.462 -3.165 -25.948 667 3HB ALA 88 3HB ALA 88 4.123 -3.421 -25.411 668 H LYS 89 HN LYS 89 4.785 0.172 -26.175 669 HA LYS 89 HA LYS 89 2.993 2.352 -26.643 670 1HB LYS 89 2HB LYS 89 5.437 1.316 -28.115 671 2HB LYS 89 1HB LYS 89 4.746 2.924 -28.336 672 1HG LYS 89 2HG LYS 89 5.552 3.689 -26.343 673 2HG LYS 89 1HG LYS 89 5.272 2.150 -25.528 674 1HD LYS 89 2HD LYS 89 7.251 1.185 -26.555 675 2HD LYS 89 1HD LYS 89 7.504 2.642 -27.518 676 1HE LYS 89 2HE LYS 89 7.787 3.951 -25.401 677 2HE LYS 89 1HE LYS 89 7.661 2.433 -24.489 678 1HZ LYS 89 1HZ LYS 89 9.496 1.533 -25.750 679 2HZ LYS 89 2HZ LYS 89 9.979 2.989 -25.018 680 3HZ LYS 89 3HZ LYS 89 9.607 2.950 -26.676 681 H PHE 90 HN PHE 90 3.802 -0.536 -28.567 682 HA PHE 90 HA PHE 90 1.468 0.088 -30.348 683 1HB PHE 90 2HB PHE 90 2.848 -0.680 -32.209 684 2HB PHE 90 1HB PHE 90 3.733 0.561 -31.322 685 HD1 PHE 90 HD1 PHE 90 3.504 -3.032 -32.086 686 HD2 PHE 90 HD2 PHE 90 5.658 -0.008 -29.918 687 HE1 PHE 90 HE1 PHE 90 5.350 -4.639 -31.678 688 HE2 PHE 90 HE2 PHE 90 7.505 -1.616 -29.511 689 HZ PHE 90 HZ PHE 90 7.350 -3.932 -30.391 690 H SER 91 HN SER 91 0.538 -1.869 -31.359 691 HA SER 91 HA SER 91 -0.086 -3.855 -29.464 692 1HB SER 91 2HB SER 91 -1.094 -4.993 -31.441 693 2HB SER 91 1HB SER 91 -1.440 -3.266 -31.421 694 HG SER 91 HG SER 91 0.240 -4.759 -33.082 695 H ASP 92 HN ASP 92 0.774 -5.858 -28.977 696 HA ASP 92 HA ASP 92 3.269 -6.689 -30.413 697 1HB ASP 92 2HB ASP 92 2.117 -7.226 -27.666 698 2HB ASP 92 1HB ASP 92 3.545 -8.057 -28.282 699 H GLU 93 HN GLU 93 -0.020 -7.356 -30.147 700 HA GLU 93 HA GLU 93 -1.346 -9.335 -30.656 701 1HB GLU 93 2HB GLU 93 -0.796 -10.011 -32.919 702 2HB GLU 93 1HB GLU 93 -0.469 -8.286 -32.772 703 1HG GLU 93 2HG GLU 93 1.903 -8.688 -32.544 704 2HG GLU 93 1HG GLU 93 1.651 -10.431 -32.449 705 H ILE 94 HN ILE 94 0.172 -10.087 -28.530 706 HA ILE 94 HA ILE 94 1.843 -12.402 -28.914 707 HB ILE 94 HB ILE 94 -0.080 -11.617 -26.697 708 1HG1 ILE 94 2HG1 ILE 94 1.576 -9.874 -27.126 709 2HG1 ILE 94 1HG1 ILE 94 2.001 -10.717 -25.635 710 1HG2 ILE 94 1HG2 ILE 94 2.159 -13.025 -25.706 711 2HG2 ILE 94 2HG2 ILE 94 1.580 -13.947 -27.094 712 3HG2 ILE 94 3HG2 ILE 94 0.487 -13.582 -25.760 713 1HD1 ILE 94 1HD1 ILE 94 3.512 -12.200 -27.058 714 2HD1 ILE 94 2HD1 ILE 94 4.033 -10.524 -26.883 715 3HD1 ILE 94 3HD1 ILE 94 3.247 -11.052 -28.371 716 H GLY 95 HN GLY 95 -1.672 -12.053 -28.329 717 1HA GLY 95 2HA GLY 95 -3.374 -13.357 -29.386 718 2HA GLY 95 1HA GLY 95 -2.136 -14.489 -29.929 719 H GLY 96 HN GLY 96 -0.879 -15.196 -27.599 720 1HA GLY 96 2HA GLY 96 -2.139 -15.705 -25.244 721 2HA GLY 96 1HA GLY 96 -2.952 -16.842 -26.320 722 H HIS 97 HN HIS 97 -1.762 -18.238 -24.532 723 HA HIS 97 HA HIS 97 0.326 -19.701 -25.840 724 1HB HIS 97 2HB HIS 97 1.105 -17.279 -24.589 725 2HB HIS 97 1HB HIS 97 1.688 -18.581 -23.552 726 HD1 HIS 97 HD1 HIS 97 4.107 -18.806 -24.186 727 HD2 HIS 97 HD2 HIS 97 1.634 -18.599 -27.536 728 HE1 HIS 97 HE1 HIS 97 5.588 -19.230 -26.197 729 1H MET 1 1HT MET 1 -0.966 1.629 -30.339 730 2H MET 1 2HT MET 1 0.694 1.988 -30.352 731 3H MET 1 3HT MET 1 -0.370 2.847 -31.359 732 HA MET 1 HA MET 1 0.473 3.801 -29.026 733 1HB MET 1 2HB MET 1 -1.368 5.345 -29.327 734 2HB MET 1 1HB MET 1 -0.875 4.794 -30.929 735 1HG MET 1 2HG MET 1 -2.681 3.091 -30.879 736 2HG MET 1 1HG MET 1 -3.193 3.703 -29.306 737 1HE MET 1 1HE MET 1 -3.297 5.969 -28.821 738 2HE MET 1 2HE MET 1 -4.934 6.367 -29.333 739 3HE MET 1 3HE MET 1 -3.579 7.336 -29.906 740 H PHE 2 HN PHE 2 -0.408 4.026 -26.876 741 HA PHE 2 HA PHE 2 -2.823 2.652 -26.076 742 1HB PHE 2 2HB PHE 2 -1.898 0.799 -24.969 743 2HB PHE 2 1HB PHE 2 -0.921 0.883 -26.432 744 HD1 PHE 2 HD1 PHE 2 -0.647 0.238 -23.103 745 HD2 PHE 2 HD2 PHE 2 1.054 2.872 -26.042 746 HE1 PHE 2 HE1 PHE 2 1.379 0.502 -21.694 747 HE2 PHE 2 HE2 PHE 2 3.083 3.135 -24.633 748 HZ PHE 2 HZ PHE 2 3.244 1.949 -22.458 749 H THR 3 HN THR 3 -3.528 3.603 -24.166 750 HA THR 3 HA THR 3 -1.545 5.319 -22.713 751 HB THR 3 HB THR 3 -3.167 7.109 -22.854 752 HG1 THR 3 HG1 THR 3 -4.947 5.506 -24.288 753 1HG2 THR 3 1HG2 THR 3 -3.635 6.146 -25.579 754 2HG2 THR 3 2HG2 THR 3 -1.951 5.994 -25.076 755 3HG2 THR 3 3HG2 THR 3 -2.751 7.567 -25.028 756 H GLY 4 HN GLY 4 -4.541 3.451 -22.605 757 1HA GLY 4 2HA GLY 4 -5.902 2.832 -20.790 758 2HA GLY 4 1HA GLY 4 -4.374 2.591 -19.941 759 H ILE 5 HN ILE 5 -5.158 5.761 -21.193 760 HA ILE 5 HA ILE 5 -4.977 6.852 -18.472 761 HB ILE 5 HB ILE 5 -5.446 8.134 -21.185 762 1HG1 ILE 5 2HG1 ILE 5 -2.928 7.735 -19.538 763 2HG1 ILE 5 1HG1 ILE 5 -3.323 6.902 -21.036 764 1HG2 ILE 5 1HG2 ILE 5 -5.811 9.274 -18.698 765 2HG2 ILE 5 2HG2 ILE 5 -5.406 10.161 -20.169 766 3HG2 ILE 5 3HG2 ILE 5 -4.127 9.669 -19.055 767 1HD1 ILE 5 1HD1 ILE 5 -2.191 9.554 -20.658 768 2HD1 ILE 5 2HD1 ILE 5 -3.644 9.607 -21.655 769 3HD1 ILE 5 3HD1 ILE 5 -2.287 8.584 -22.127 770 H VAL 6 HN VAL 6 -6.650 7.730 -17.278 771 HA VAL 6 HA VAL 6 -9.389 7.058 -18.171 772 HB VAL 6 HB VAL 6 -7.870 7.475 -15.655 773 1HG1 VAL 6 1HG1 VAL 6 -10.771 8.272 -15.931 774 2HG1 VAL 6 2HG1 VAL 6 -9.465 9.172 -15.160 775 3HG1 VAL 6 3HG1 VAL 6 -10.102 7.714 -14.399 776 1HG2 VAL 6 1HG2 VAL 6 -9.685 5.553 -16.932 777 2HG2 VAL 6 2HG2 VAL 6 -9.975 5.758 -15.205 778 3HG2 VAL 6 3HG2 VAL 6 -8.379 5.271 -15.780 779 H GLN 7 HN GLN 7 -10.960 8.572 -18.594 780 HA GLN 7 HA GLN 7 -10.226 11.309 -19.161 781 1HB GLN 7 2HB GLN 7 -12.824 9.766 -18.987 782 2HB GLN 7 1HB GLN 7 -12.752 11.454 -19.498 783 1HG GLN 7 2HG GLN 7 -11.180 9.212 -20.800 784 2HG GLN 7 1HG GLN 7 -12.707 9.845 -21.418 785 1HE2 GLN 7 1HE2 GLN 7 -9.558 10.070 -22.130 786 2HE2 GLN 7 2HE2 GLN 7 -9.442 11.700 -22.586 787 H GLY 8 HN GLY 8 -11.835 9.719 -16.406 788 1HA GLY 8 2HA GLY 8 -11.591 12.236 -14.865 789 2HA GLY 8 1HA GLY 8 -13.230 11.670 -15.181 790 H THR 9 HN THR 9 -12.577 11.841 -12.580 791 HA THR 9 HA THR 9 -11.863 9.045 -11.770 792 HB THR 9 HB THR 9 -11.549 10.519 -9.528 793 HG1 THR 9 HG1 THR 9 -10.406 12.449 -10.704 794 1HG2 THR 9 1HG2 THR 9 -9.915 9.140 -11.098 795 2HG2 THR 9 2HG2 THR 9 -9.278 10.258 -9.891 796 3HG2 THR 9 3HG2 THR 9 -9.386 10.752 -11.581 797 H ALA 10 HN ALA 10 -12.959 8.386 -9.679 798 HA ALA 10 HA ALA 10 -15.733 9.518 -9.421 799 1HB ALA 10 1HB ALA 10 -16.422 7.626 -10.463 800 2HB ALA 10 2HB ALA 10 -15.904 6.759 -9.018 801 3HB ALA 10 3HB ALA 10 -14.807 6.917 -10.393 802 H LYS 11 HN LYS 11 -16.563 9.368 -7.297 803 HA LYS 11 HA LYS 11 -14.535 8.631 -5.220 804 1HB LYS 11 2HB LYS 11 -15.365 10.944 -5.243 805 2HB LYS 11 1HB LYS 11 -17.023 10.355 -5.138 806 1HG LYS 11 2HG LYS 11 -16.575 9.335 -2.971 807 2HG LYS 11 1HG LYS 11 -14.878 9.799 -3.074 808 1HD LYS 11 2HD LYS 11 -15.300 11.939 -2.457 809 2HD LYS 11 1HD LYS 11 -16.759 12.033 -3.447 810 1HE LYS 11 2HE LYS 11 -18.066 10.877 -1.764 811 2HE LYS 11 1HE LYS 11 -16.609 10.523 -0.814 812 1HZ LYS 11 1HZ LYS 11 -16.882 13.304 -1.514 813 2HZ LYS 11 2HZ LYS 11 -16.534 12.594 -0.010 814 3HZ LYS 11 3HZ LYS 11 -18.144 12.742 -0.530 815 H LEU 12 HN LEU 12 -14.902 6.612 -4.389 816 HA LEU 12 HA LEU 12 -17.398 5.173 -4.465 817 1HB LEU 12 2HB LEU 12 -14.921 4.454 -3.963 818 2HB LEU 12 1HB LEU 12 -15.291 4.948 -2.323 819 HG LEU 12 HG LEU 12 -17.078 3.343 -2.155 820 1HD1 LEU 12 1HD1 LEU 12 -16.665 3.151 -5.130 821 2HD1 LEU 12 2HD1 LEU 12 -18.168 3.355 -4.230 822 3HD1 LEU 12 3HD1 LEU 12 -17.359 1.788 -4.251 823 1HD2 LEU 12 1HD2 LEU 12 -15.565 1.716 -1.765 824 2HD2 LEU 12 2HD2 LEU 12 -14.378 2.631 -2.696 825 3HD2 LEU 12 3HD2 LEU 12 -15.391 1.429 -3.496 826 H VAL 13 HN VAL 13 -19.178 5.549 -3.253 827 HA VAL 13 HA VAL 13 -18.873 7.204 -0.778 828 HB VAL 13 HB VAL 13 -19.771 8.622 -2.427 829 1HG1 VAL 13 1HG1 VAL 13 -20.862 6.154 -3.518 830 2HG1 VAL 13 2HG1 VAL 13 -20.493 7.677 -4.333 831 3HG1 VAL 13 3HG1 VAL 13 -22.042 7.462 -3.515 832 1HG2 VAL 13 1HG2 VAL 13 -21.281 7.918 -0.245 833 2HG2 VAL 13 2HG2 VAL 13 -22.438 7.747 -1.562 834 3HG2 VAL 13 3HG2 VAL 13 -21.625 9.290 -1.298 835 H SER 14 HN SER 14 -20.597 4.637 -2.446 836 HA SER 14 HA SER 14 -21.504 3.642 0.224 837 1HB SER 14 2HB SER 14 -23.101 5.085 -1.530 838 2HB SER 14 1HB SER 14 -23.545 3.413 -1.851 839 HG SER 14 HG SER 14 -23.252 4.242 0.805 840 H ILE 15 HN ILE 15 -21.669 1.386 0.331 841 HA ILE 15 HA ILE 15 -21.035 -0.126 -2.187 842 HB ILE 15 HB ILE 15 -20.777 -1.076 0.677 843 1HG1 ILE 15 2HG1 ILE 15 -18.756 0.281 -1.127 844 2HG1 ILE 15 1HG1 ILE 15 -19.365 0.864 0.421 845 1HG2 ILE 15 1HG2 ILE 15 -20.607 -2.994 -0.570 846 2HG2 ILE 15 2HG2 ILE 15 -18.947 -2.436 -0.794 847 3HG2 ILE 15 3HG2 ILE 15 -20.158 -2.124 -2.035 848 1HD1 ILE 15 1HD1 ILE 15 -17.736 -0.267 1.488 849 2HD1 ILE 15 2HD1 ILE 15 -17.136 -0.871 -0.056 850 3HD1 ILE 15 3HD1 ILE 15 -18.364 -1.776 0.833 851 H ASP 16 HN ASP 16 -22.580 -1.493 -2.929 852 HA ASP 16 HA ASP 16 -24.898 -2.136 -1.141 853 1HB ASP 16 2HB ASP 16 -24.545 -1.741 -4.104 854 2HB ASP 16 1HB ASP 16 -25.919 -2.659 -3.486 855 H GLU 17 HN GLU 17 -24.658 -4.205 -0.335 856 HA GLU 17 HA GLU 17 -23.158 -6.181 -2.003 857 1HB GLU 17 2HB GLU 17 -23.815 -5.937 0.944 858 2HB GLU 17 1HB GLU 17 -23.031 -7.358 0.253 859 1HG GLU 17 2HG GLU 17 -21.206 -5.935 -0.610 860 2HG GLU 17 1HG GLU 17 -21.987 -4.515 0.085 861 H LYS 18 HN LYS 18 -24.499 -7.483 -3.180 862 HA LYS 18 HA LYS 18 -27.070 -8.400 -1.927 863 1HB LYS 18 2HB LYS 18 -26.372 -8.669 -4.848 864 2HB LYS 18 1HB LYS 18 -27.960 -8.514 -4.103 865 1HG LYS 18 2HG LYS 18 -26.754 -6.153 -3.363 866 2HG LYS 18 1HG LYS 18 -26.087 -6.419 -4.975 867 1HD LYS 18 2HD LYS 18 -28.954 -6.998 -4.833 868 2HD LYS 18 1HD LYS 18 -28.577 -5.325 -4.422 869 1HE LYS 18 2HE LYS 18 -27.508 -4.935 -6.520 870 2HE LYS 18 1HE LYS 18 -27.432 -6.671 -6.884 871 1HZ LYS 18 1HZ LYS 18 -29.396 -5.132 -7.760 872 2HZ LYS 18 2HZ LYS 18 -30.056 -5.569 -6.257 873 3HZ LYS 18 3HZ LYS 18 -29.625 -6.769 -7.380 874 HA PRO 19 HA PRO 19 -25.089 -12.299 -1.317 875 1HB PRO 19 2HB PRO 19 -27.455 -13.800 -1.713 876 2HB PRO 19 1HB PRO 19 -26.839 -13.194 -0.165 877 1HG PRO 19 2HG PRO 19 -28.932 -12.068 -1.938 878 2HG PRO 19 1HG PRO 19 -28.796 -12.021 -0.173 879 1HD PRO 19 2HD PRO 19 -28.288 -9.860 -1.676 880 2HD PRO 19 1HD PRO 19 -27.355 -10.207 -0.199 881 H ASN 20 HN ASN 20 -27.273 -11.737 -4.059 882 HA ASN 20 HA ASN 20 -26.255 -13.958 -5.661 883 1HB ASN 20 2HB ASN 20 -27.606 -11.425 -6.621 884 2HB ASN 20 1HB ASN 20 -27.703 -13.040 -7.323 885 1HD2 ASN 20 1HD2 ASN 20 -29.260 -10.874 -5.194 886 2HD2 ASN 20 2HD2 ASN 20 -30.322 -11.976 -4.467 887 H PHE 21 HN PHE 21 -25.628 -10.463 -5.447 888 HA PHE 21 HA PHE 21 -22.985 -10.843 -6.741 889 1HB PHE 21 2HB PHE 21 -25.229 -9.120 -7.843 890 2HB PHE 21 1HB PHE 21 -23.572 -9.102 -8.445 891 HD1 PHE 21 HD1 PHE 21 -26.768 -10.800 -8.527 892 HD2 PHE 21 HD2 PHE 21 -22.577 -11.249 -9.374 893 HE1 PHE 21 HE1 PHE 21 -27.270 -12.751 -9.976 894 HE2 PHE 21 HE2 PHE 21 -23.079 -13.201 -10.822 895 HZ PHE 21 HZ PHE 21 -25.425 -13.952 -11.124 896 H ARG 22 HN ARG 22 -21.553 -9.064 -6.271 897 HA ARG 22 HA ARG 22 -22.485 -7.295 -4.078 898 1HB ARG 22 2HB ARG 22 -20.362 -8.544 -3.883 899 2HB ARG 22 1HB ARG 22 -19.760 -7.734 -5.327 900 1HG ARG 22 2HG ARG 22 -19.981 -5.551 -4.207 901 2HG ARG 22 1HG ARG 22 -20.581 -6.359 -2.757 902 1HD ARG 22 2HD ARG 22 -18.448 -7.590 -2.548 903 2HD ARG 22 1HD ARG 22 -17.837 -6.771 -4.000 904 HE ARG 22 HE ARG 22 -18.652 -4.658 -2.476 905 1HH1 ARG 22 1HH1 ARG 22 -16.739 -7.463 -1.819 906 2HH1 ARG 22 2HH1 ARG 22 -15.806 -6.691 -0.583 907 1HH2 ARG 22 1HH2 ARG 22 -17.437 -3.647 -0.869 908 2HH2 ARG 22 2HH2 ARG 22 -16.199 -4.536 -0.046 909 H THR 23 HN THR 23 -22.492 -5.046 -4.265 910 HA THR 23 HA THR 23 -22.173 -3.944 -7.039 911 HB THR 23 HB THR 23 -24.278 -3.377 -4.924 912 HG1 THR 23 HG1 THR 23 -25.337 -4.369 -7.099 913 1HG2 THR 23 1HG2 THR 23 -23.472 -1.648 -6.822 914 2HG2 THR 23 2HG2 THR 23 -25.158 -1.779 -6.319 915 3HG2 THR 23 3HG2 THR 23 -24.607 -2.600 -7.779 916 H HIS 24 HN HIS 24 -21.136 -1.924 -7.129 917 HA HIS 24 HA HIS 24 -20.611 -0.576 -4.501 918 1HB HIS 24 2HB HIS 24 -18.811 -1.711 -6.491 919 2HB HIS 24 1HB HIS 24 -18.450 -0.016 -6.158 920 HD1 HIS 24 HD1 HIS 24 -17.295 -3.071 -5.019 921 HD2 HIS 24 HD2 HIS 24 -18.928 0.178 -2.981 922 HE1 HIS 24 HE1 HIS 24 -16.577 -3.303 -2.598 923 H VAL 25 HN VAL 25 -20.978 1.623 -4.508 924 HA VAL 25 HA VAL 25 -21.729 2.849 -7.137 925 HB VAL 25 HB VAL 25 -22.581 3.682 -4.372 926 1HG1 VAL 25 1HG1 VAL 25 -22.970 4.749 -6.952 927 2HG1 VAL 25 2HG1 VAL 25 -23.775 5.243 -5.463 928 3HG1 VAL 25 3HG1 VAL 25 -24.508 4.015 -6.495 929 1HG2 VAL 25 1HG2 VAL 25 -23.652 1.516 -6.170 930 2HG2 VAL 25 2HG2 VAL 25 -24.724 2.364 -5.056 931 3HG2 VAL 25 3HG2 VAL 25 -23.348 1.453 -4.434 932 H VAL 26 HN VAL 26 -20.632 4.609 -7.777 933 HA VAL 26 HA VAL 26 -18.755 5.906 -5.833 934 HB VAL 26 HB VAL 26 -17.351 6.283 -7.800 935 1HG1 VAL 26 1HG1 VAL 26 -16.607 4.121 -7.967 936 2HG1 VAL 26 2HG1 VAL 26 -18.205 3.495 -8.370 937 3HG1 VAL 26 3HG1 VAL 26 -17.791 3.847 -6.690 938 1HG2 VAL 26 1HG2 VAL 26 -18.074 5.542 -10.033 939 2HG2 VAL 26 2HG2 VAL 26 -19.199 6.736 -9.386 940 3HG2 VAL 26 3HG2 VAL 26 -19.624 5.024 -9.366 941 H GLU 27 HN GLU 27 -18.294 8.269 -6.514 942 HA GLU 27 HA GLU 27 -20.861 9.624 -7.186 943 1HB GLU 27 2HB GLU 27 -19.127 9.881 -5.127 944 2HB GLU 27 1HB GLU 27 -18.419 11.024 -6.261 945 1HG GLU 27 2HG GLU 27 -21.351 11.224 -5.988 946 2HG GLU 27 1HG GLU 27 -20.446 11.638 -4.533 947 H LEU 28 HN LEU 28 -20.998 10.233 -9.303 948 HA LEU 28 HA LEU 28 -18.643 10.282 -11.014 949 1HB LEU 28 2HB LEU 28 -21.209 9.599 -11.307 950 2HB LEU 28 1HB LEU 28 -21.341 11.276 -11.826 951 HG LEU 28 HG LEU 28 -19.661 10.928 -13.551 952 1HD1 LEU 28 1HD1 LEU 28 -18.056 9.394 -13.112 953 2HD1 LEU 28 2HD1 LEU 28 -19.225 8.165 -13.596 954 3HD1 LEU 28 3HD1 LEU 28 -19.059 8.602 -11.896 955 1HD2 LEU 28 1HD2 LEU 28 -22.068 10.188 -13.931 956 2HD2 LEU 28 2HD2 LEU 28 -21.528 8.544 -13.597 957 3HD2 LEU 28 3HD2 LEU 28 -20.877 9.421 -14.981 958 HA PRO 29 HA PRO 29 -17.843 14.608 -10.290 959 1HB PRO 29 2HB PRO 29 -16.028 14.896 -12.334 960 2HB PRO 29 1HB PRO 29 -15.629 14.237 -10.739 961 1HG PRO 29 2HG PRO 29 -16.141 12.817 -13.297 962 2HG PRO 29 1HG PRO 29 -15.002 12.433 -11.997 963 1HD PRO 29 2HD PRO 29 -17.349 11.115 -12.352 964 2HD PRO 29 1HD PRO 29 -16.579 11.320 -10.764 965 H ASP 30 HN ASP 30 -17.585 16.578 -11.951 966 HA ASP 30 HA ASP 30 -20.109 16.901 -13.238 967 1HB ASP 30 2HB ASP 30 -19.083 19.027 -13.989 968 2HB ASP 30 1HB ASP 30 -18.735 18.705 -12.291 969 H HIS 31 HN HIS 31 -16.879 16.183 -14.588 970 HA HIS 31 HA HIS 31 -17.967 16.314 -17.316 971 1HB HIS 31 2HB HIS 31 -15.630 16.052 -17.955 972 2HB HIS 31 1HB HIS 31 -15.747 17.227 -16.650 973 HD1 HIS 31 HD1 HIS 31 -16.250 14.435 -14.725 974 HD2 HIS 31 HD2 HIS 31 -12.908 15.720 -16.854 975 HE1 HIS 31 HE1 HIS 31 -14.247 13.293 -13.675 976 H MET 32 HN MET 32 -18.037 13.955 -15.006 977 HA MET 32 HA MET 32 -17.977 11.782 -17.077 978 1HB MET 32 2HB MET 32 -17.644 11.780 -14.066 979 2HB MET 32 1HB MET 32 -17.850 10.303 -15.006 980 1HG MET 32 2HG MET 32 -15.647 12.346 -15.402 981 2HG MET 32 1HG MET 32 -15.458 10.775 -14.625 982 1HE MET 32 1HE MET 32 -15.767 8.175 -17.237 983 2HE MET 32 2HE MET 32 -17.238 8.756 -16.462 984 3HE MET 32 3HE MET 32 -15.743 8.659 -15.535 985 H LEU 33 HN LEU 33 -19.908 13.696 -14.975 986 HA LEU 33 HA LEU 33 -22.146 11.936 -14.561 987 1HB LEU 33 2HB LEU 33 -21.572 14.880 -14.503 988 2HB LEU 33 1HB LEU 33 -23.248 14.339 -14.394 989 HG LEU 33 HG LEU 33 -21.123 13.124 -12.623 990 1HD1 LEU 33 1HD1 LEU 33 -22.855 15.473 -11.834 991 2HD1 LEU 33 2HD1 LEU 33 -21.220 15.687 -12.449 992 3HD1 LEU 33 3HD1 LEU 33 -21.485 14.786 -10.962 993 1HD2 LEU 33 1HD2 LEU 33 -22.913 12.230 -11.496 994 2HD2 LEU 33 2HD2 LEU 33 -23.680 12.410 -13.073 995 3HD2 LEU 33 3HD2 LEU 33 -23.946 13.623 -11.820 996 H ASP 34 HN ASP 34 -21.194 14.069 -17.211 997 HA ASP 34 HA ASP 34 -23.779 13.962 -18.554 998 1HB ASP 34 2HB ASP 34 -22.106 15.828 -18.635 999 2HB ASP 34 1HB ASP 34 -21.033 14.773 -19.554 1000 H GLY 35 HN GLY 35 -24.363 12.676 -20.311 1001 1HA GLY 35 2HA GLY 35 -24.052 11.247 -22.157 1002 2HA GLY 35 1HA GLY 35 -22.334 11.194 -21.780 1003 H LEU 36 HN LEU 36 -22.798 10.265 -18.988 1004 HA LEU 36 HA LEU 36 -22.735 7.446 -19.632 1005 1HB LEU 36 2HB LEU 36 -21.337 8.520 -17.920 1006 2HB LEU 36 1HB LEU 36 -22.778 8.942 -16.993 1007 HG LEU 36 HG LEU 36 -23.334 6.507 -16.839 1008 1HD1 LEU 36 1HD1 LEU 36 -20.891 5.273 -17.302 1009 2HD1 LEU 36 2HD1 LEU 36 -21.045 6.385 -18.663 1010 3HD1 LEU 36 3HD1 LEU 36 -22.301 5.185 -18.358 1011 1HD2 LEU 36 1HD2 LEU 36 -21.390 5.956 -15.280 1012 2HD2 LEU 36 2HD2 LEU 36 -22.226 7.474 -14.950 1013 3HD2 LEU 36 3HD2 LEU 36 -20.671 7.488 -15.782 1014 H GLU 37 HN GLU 37 -24.131 5.795 -18.779 1015 HA GLU 37 HA GLU 37 -26.736 6.576 -17.604 1016 1HB GLU 37 2HB GLU 37 -27.975 5.608 -19.479 1017 2HB GLU 37 1HB GLU 37 -26.873 6.837 -20.103 1018 1HG GLU 37 2HG GLU 37 -25.230 5.073 -20.661 1019 2HG GLU 37 1HG GLU 37 -26.349 3.849 -20.060 1020 H THR 38 HN THR 38 -28.018 4.496 -17.101 1021 HA THR 38 HA THR 38 -26.317 2.514 -15.863 1022 HB THR 38 HB THR 38 -28.860 1.440 -16.129 1023 HG1 THR 38 HG1 THR 38 -30.230 3.013 -16.380 1024 1HG2 THR 38 1HG2 THR 38 -28.066 1.431 -13.981 1025 2HG2 THR 38 2HG2 THR 38 -29.124 2.836 -13.862 1026 3HG2 THR 38 3HG2 THR 38 -27.393 3.055 -14.113 1027 H GLY 39 HN GLY 39 -26.109 0.259 -16.498 1028 1HA GLY 39 2HA GLY 39 -25.899 -1.517 -18.040 1029 2HA GLY 39 1HA GLY 39 -26.966 -0.651 -19.137 1030 H ALA 40 HN ALA 40 -24.693 1.538 -18.194 1031 HA ALA 40 HA ALA 40 -23.136 1.328 -20.680 1032 1HB ALA 40 1HB ALA 40 -22.019 3.339 -19.538 1033 2HB ALA 40 2HB ALA 40 -23.185 3.115 -18.232 1034 3HB ALA 40 3HB ALA 40 -23.744 3.508 -19.860 1035 H SER 41 HN SER 41 -20.716 1.098 -20.551 1036 HA SER 41 HA SER 41 -19.921 -0.561 -18.193 1037 1HB SER 41 2HB SER 41 -17.919 -0.950 -19.891 1038 2HB SER 41 1HB SER 41 -19.442 -1.805 -20.093 1039 HG SER 41 HG SER 41 -18.723 -0.797 -22.027 1040 H VAL 42 HN VAL 42 -18.830 0.547 -16.669 1041 HA VAL 42 HA VAL 42 -17.199 2.933 -17.452 1042 HB VAL 42 HB VAL 42 -18.745 2.020 -15.069 1043 1HG1 VAL 42 1HG1 VAL 42 -17.240 3.881 -13.842 1044 2HG1 VAL 42 2HG1 VAL 42 -16.009 3.146 -14.871 1045 3HG1 VAL 42 3HG1 VAL 42 -16.909 2.153 -13.723 1046 1HG2 VAL 42 1HG2 VAL 42 -18.085 4.841 -15.419 1047 2HG2 VAL 42 2HG2 VAL 42 -19.668 4.070 -15.295 1048 3HG2 VAL 42 3HG2 VAL 42 -18.832 4.125 -16.849 1049 H ALA 43 HN ALA 43 -15.024 2.610 -17.558 1050 HA ALA 43 HA ALA 43 -13.854 0.126 -16.446 1051 1HB ALA 43 1HB ALA 43 -12.186 0.526 -17.967 1052 2HB ALA 43 2HB ALA 43 -12.183 2.260 -17.653 1053 3HB ALA 43 3HB ALA 43 -13.406 1.559 -18.712 1054 H HIS 44 HN HIS 44 -13.215 0.186 -14.348 1055 HA HIS 44 HA HIS 44 -12.571 2.786 -13.063 1056 1HB HIS 44 2HB HIS 44 -13.244 -0.009 -12.225 1057 2HB HIS 44 1HB HIS 44 -12.276 0.964 -11.117 1058 HD1 HIS 44 HD1 HIS 44 -15.077 2.281 -13.355 1059 HD2 HIS 44 HD2 HIS 44 -14.261 1.688 -9.298 1060 HE1 HIS 44 HE1 HIS 44 -16.969 3.371 -12.065 1061 HE2 HIS 44 HE2 HIS 44 -16.480 3.013 -9.607 1062 H ASN 45 HN ASN 45 -10.562 3.398 -13.627 1063 HA ASN 45 HA ASN 45 -8.263 3.360 -14.054 1064 1HB ASN 45 2HB ASN 45 -8.623 2.123 -11.673 1065 2HB ASN 45 1HB ASN 45 -7.885 0.807 -12.593 1066 1HD2 ASN 45 1HD2 ASN 45 -7.272 3.881 -11.074 1067 2HD2 ASN 45 2HD2 ASN 45 -5.644 4.012 -11.510 1068 H GLY 46 HN GLY 46 -10.388 1.420 -15.453 1069 1HA GLY 46 2HA GLY 46 -9.675 0.849 -17.758 1070 2HA GLY 46 1HA GLY 46 -8.252 0.087 -17.055 1071 H CYS 47 HN CYS 47 -10.597 -0.808 -14.948 1072 HA CYS 47 HA CYS 47 -11.040 -3.390 -16.356 1073 1HB CYS 47 2HB CYS 47 -10.327 -3.196 -13.926 1074 2HB CYS 47 1HB CYS 47 -11.907 -2.496 -13.583 1075 HG CYS 47 HG CYS 47 -13.003 -4.730 -13.911 1076 H CYS 48 HN CYS 48 -12.718 -3.220 -17.828 1077 HA CYS 48 HA CYS 48 -14.829 -1.277 -17.555 1078 1HB CYS 48 2HB CYS 48 -15.698 -2.430 -19.579 1079 2HB CYS 48 1HB CYS 48 -13.972 -2.106 -19.713 1080 HG CYS 48 HG CYS 48 -13.755 -4.715 -18.768 1081 H LEU 49 HN LEU 49 -16.627 -1.459 -16.328 1082 HA LEU 49 HA LEU 49 -17.901 -4.132 -16.039 1083 1HB LEU 49 2HB LEU 49 -18.297 -3.430 -13.586 1084 2HB LEU 49 1HB LEU 49 -16.661 -3.929 -14.015 1085 HG LEU 49 HG LEU 49 -17.050 -1.092 -14.505 1086 1HD1 LEU 49 1HD1 LEU 49 -18.095 -2.249 -12.004 1087 2HD1 LEU 49 2HD1 LEU 49 -18.395 -0.668 -12.724 1088 3HD1 LEU 49 3HD1 LEU 49 -16.939 -0.937 -11.766 1089 1HD2 LEU 49 1HD2 LEU 49 -14.881 -1.048 -13.780 1090 2HD2 LEU 49 2HD2 LEU 49 -14.987 -2.803 -13.915 1091 3HD2 LEU 49 3HD2 LEU 49 -15.243 -2.022 -12.355 1092 H THR 50 HN THR 50 -20.232 -3.923 -15.606 1093 HA THR 50 HA THR 50 -21.230 -1.552 -17.028 1094 HB THR 50 HB THR 50 -22.684 -4.047 -16.102 1095 HG1 THR 50 HG1 THR 50 -21.323 -3.504 -18.531 1096 1HG2 THR 50 1HG2 THR 50 -24.454 -2.950 -16.983 1097 2HG2 THR 50 2HG2 THR 50 -23.681 -3.155 -18.554 1098 3HG2 THR 50 3HG2 THR 50 -23.423 -1.675 -17.632 1099 H VAL 51 HN VAL 51 -23.093 -0.348 -16.347 1100 HA VAL 51 HA VAL 51 -23.068 0.297 -13.495 1101 HB VAL 51 HB VAL 51 -24.842 1.315 -15.739 1102 1HG1 VAL 51 1HG1 VAL 51 -24.147 2.199 -12.977 1103 2HG1 VAL 51 2HG1 VAL 51 -25.681 2.310 -13.841 1104 3HG1 VAL 51 3HG1 VAL 51 -24.378 3.442 -14.206 1105 1HG2 VAL 51 1HG2 VAL 51 -22.887 1.885 -16.718 1106 2HG2 VAL 51 2HG2 VAL 51 -21.955 1.619 -15.243 1107 3HG2 VAL 51 3HG2 VAL 51 -22.822 3.137 -15.477 1108 H THR 52 HN THR 52 -24.286 -0.900 -12.090 1109 HA THR 52 HA THR 52 -26.656 -2.423 -12.850 1110 HB THR 52 HB THR 52 -26.804 -2.753 -10.426 1111 HG1 THR 52 HG1 THR 52 -25.459 -1.544 -9.070 1112 1HG2 THR 52 1HG2 THR 52 -24.722 -3.819 -10.095 1113 2HG2 THR 52 2HG2 THR 52 -23.868 -2.630 -11.079 1114 3HG2 THR 52 3HG2 THR 52 -24.939 -3.801 -11.845 1115 H GLU 53 HN GLU 53 -25.992 0.729 -11.333 1116 HA GLU 53 HA GLU 53 -28.650 1.713 -12.154 1117 1HB GLU 53 2HB GLU 53 -29.103 0.361 -10.142 1118 2HB GLU 53 1HB GLU 53 -27.894 1.283 -9.246 1119 1HG GLU 53 2HG GLU 53 -30.156 2.130 -8.771 1120 2HG GLU 53 1HG GLU 53 -29.202 3.349 -9.615 1121 H ILE 54 HN ILE 54 -28.863 4.005 -11.783 1122 HA ILE 54 HA ILE 54 -26.333 5.407 -10.951 1123 HB ILE 54 HB ILE 54 -28.640 6.287 -12.733 1124 1HG1 ILE 54 2HG1 ILE 54 -25.875 6.148 -13.756 1125 2HG1 ILE 54 1HG1 ILE 54 -26.591 4.586 -13.360 1126 1HG2 ILE 54 1HG2 ILE 54 -26.158 7.827 -12.807 1127 2HG2 ILE 54 2HG2 ILE 54 -26.909 7.852 -11.212 1128 3HG2 ILE 54 3HG2 ILE 54 -27.818 8.393 -12.624 1129 1HD1 ILE 54 1HD1 ILE 54 -28.472 6.306 -14.778 1130 2HD1 ILE 54 2HD1 ILE 54 -27.959 4.659 -15.160 1131 3HD1 ILE 54 3HD1 ILE 54 -27.001 6.036 -15.714 1132 H ASN 55 HN ASN 55 -26.483 6.528 -9.103 1133 HA ASN 55 HA ASN 55 -29.192 6.933 -7.898 1134 1HB ASN 55 2HB ASN 55 -26.374 6.633 -6.871 1135 2HB ASN 55 1HB ASN 55 -27.618 7.349 -5.846 1136 1HD2 ASN 55 1HD2 ASN 55 -26.303 4.369 -6.928 1137 2HD2 ASN 55 2HD2 ASN 55 -27.530 3.352 -6.345 1138 H GLY 56 HN GLY 56 -29.031 8.745 -9.742 1139 1HA GLY 56 2HA GLY 56 -29.084 11.109 -10.022 1140 2HA GLY 56 1HA GLY 56 -28.396 11.291 -8.406 1141 H ASN 57 HN ASN 57 -26.289 11.935 -8.361 1142 HA ASN 57 HA ASN 57 -24.694 11.858 -10.819 1143 1HB ASN 57 2HB ASN 57 -23.596 13.551 -9.780 1144 2HB ASN 57 1HB ASN 57 -24.862 13.456 -8.575 1145 1HD2 ASN 57 1HD2 ASN 57 -21.784 11.881 -9.380 1146 2HD2 ASN 57 2HD2 ASN 57 -21.254 11.677 -7.778 1147 H HIS 58 HN HIS 58 -25.210 9.889 -8.034 1148 HA HIS 58 HA HIS 58 -22.633 8.547 -8.009 1149 1HB HIS 58 2HB HIS 58 -25.358 8.181 -6.812 1150 2HB HIS 58 1HB HIS 58 -24.170 6.889 -6.661 1151 HD1 HIS 58 HD1 HIS 58 -25.330 9.430 -4.640 1152 HD2 HIS 58 HD2 HIS 58 -21.470 8.461 -5.891 1153 HE1 HIS 58 HE1 HIS 58 -23.743 10.476 -2.966 1154 H VAL 59 HN VAL 59 -22.326 6.267 -8.601 1155 HA VAL 59 HA VAL 59 -24.436 5.129 -10.357 1156 HB VAL 59 HB VAL 59 -21.540 5.636 -11.067 1157 1HG1 VAL 59 1HG1 VAL 59 -22.249 3.318 -11.691 1158 2HG1 VAL 59 2HG1 VAL 59 -21.937 4.341 -13.095 1159 3HG1 VAL 59 3HG1 VAL 59 -23.593 4.017 -12.589 1160 1HG2 VAL 59 1HG2 VAL 59 -24.166 6.786 -11.703 1161 2HG2 VAL 59 2HG2 VAL 59 -23.223 6.381 -13.142 1162 3HG2 VAL 59 3HG2 VAL 59 -22.556 7.476 -11.930 1163 H SER 60 HN SER 60 -24.862 3.151 -9.547 1164 HA SER 60 HA SER 60 -22.903 1.681 -7.888 1165 1HB SER 60 2HB SER 60 -25.698 0.993 -8.846 1166 2HB SER 60 1HB SER 60 -24.826 0.206 -7.536 1167 HG SER 60 HG SER 60 -26.333 1.864 -6.868 1168 H PHE 61 HN PHE 61 -21.564 0.092 -8.771 1169 HA PHE 61 HA PHE 61 -22.255 -0.876 -11.533 1170 1HB PHE 61 2HB PHE 61 -19.620 -0.761 -10.020 1171 2HB PHE 61 1HB PHE 61 -19.817 -1.329 -11.675 1172 HD1 PHE 61 HD1 PHE 61 -18.910 1.431 -9.742 1173 HD2 PHE 61 HD2 PHE 61 -21.220 0.403 -13.219 1174 HE1 PHE 61 HE1 PHE 61 -18.696 3.760 -10.573 1175 HE2 PHE 61 HE2 PHE 61 -21.009 2.733 -14.048 1176 HZ PHE 61 HZ PHE 61 -19.746 4.411 -12.725 1177 H ASP 62 HN ASP 62 -21.767 -3.204 -11.947 1178 HA ASP 62 HA ASP 62 -22.383 -4.864 -9.560 1179 1HB ASP 62 2HB ASP 62 -22.778 -6.606 -11.307 1180 2HB ASP 62 1HB ASP 62 -23.707 -5.146 -11.615 1181 H LEU 63 HN LEU 63 -21.135 -6.538 -8.861 1182 HA LEU 63 HA LEU 63 -18.517 -7.100 -10.117 1183 1HB LEU 63 2HB LEU 63 -19.026 -5.151 -8.060 1184 2HB LEU 63 1HB LEU 63 -18.039 -6.441 -7.397 1185 HG LEU 63 HG LEU 63 -17.085 -5.779 -10.029 1186 1HD1 LEU 63 1HD1 LEU 63 -18.217 -3.565 -8.670 1187 2HD1 LEU 63 2HD1 LEU 63 -17.191 -3.531 -10.108 1188 3HD1 LEU 63 3HD1 LEU 63 -16.466 -3.407 -8.504 1189 1HD2 LEU 63 1HD2 LEU 63 -15.669 -5.048 -7.476 1190 2HD2 LEU 63 2HD2 LEU 63 -15.005 -5.766 -8.943 1191 3HD2 LEU 63 3HD2 LEU 63 -15.963 -6.748 -7.836 1192 H MET 64 HN MET 64 -18.608 -9.356 -10.008 1193 HA MET 64 HA MET 64 -20.131 -10.783 -7.999 1194 1HB MET 64 2HB MET 64 -19.518 -11.544 -10.333 1195 2HB MET 64 1HB MET 64 -17.866 -11.770 -9.761 1196 1HG MET 64 2HG MET 64 -18.703 -13.336 -8.023 1197 2HG MET 64 1HG MET 64 -20.333 -13.150 -8.668 1198 1HE MET 64 1HE MET 64 -21.165 -13.731 -10.705 1199 2HE MET 64 2HE MET 64 -20.524 -14.867 -11.889 1200 3HE MET 64 3HE MET 64 -20.000 -13.185 -11.917 1201 H LYS 65 HN LYS 65 -19.386 -11.728 -6.078 1202 HA LYS 65 HA LYS 65 -17.298 -10.465 -4.663 1203 1HB LYS 65 2HB LYS 65 -19.214 -11.681 -3.688 1204 2HB LYS 65 1HB LYS 65 -18.560 -13.203 -4.293 1205 1HG LYS 65 2HG LYS 65 -17.957 -12.959 -1.946 1206 2HG LYS 65 1HG LYS 65 -16.503 -12.811 -2.932 1207 1HD LYS 65 2HD LYS 65 -16.527 -10.408 -2.741 1208 2HD LYS 65 1HD LYS 65 -18.118 -10.433 -1.978 1209 1HE LYS 65 2HE LYS 65 -17.036 -11.861 -0.126 1210 2HE LYS 65 1HE LYS 65 -15.480 -11.359 -0.817 1211 1HZ LYS 65 1HZ LYS 65 -17.655 -9.614 0.198 1212 2HZ LYS 65 2HZ LYS 65 -16.367 -9.032 -0.746 1213 3HZ LYS 65 3HZ LYS 65 -16.065 -9.725 0.776 1214 H GLU 66 HN GLU 66 -17.292 -13.677 -6.263 1215 HA GLU 66 HA GLU 66 -14.535 -14.248 -5.592 1216 1HB GLU 66 2HB GLU 66 -16.249 -15.945 -6.155 1217 2HB GLU 66 1HB GLU 66 -16.366 -15.286 -7.786 1218 1HG GLU 66 2HG GLU 66 -13.991 -15.825 -8.182 1219 2HG GLU 66 1HG GLU 66 -13.872 -16.489 -6.551 1220 H THR 67 HN THR 67 -16.127 -12.842 -8.452 1221 HA THR 67 HA THR 67 -13.762 -12.492 -10.059 1222 HB THR 67 HB THR 67 -16.285 -10.819 -9.814 1223 HG1 THR 67 HG1 THR 67 -16.895 -12.156 -11.624 1224 1HG2 THR 67 1HG2 THR 67 -15.388 -9.527 -11.414 1225 2HG2 THR 67 2HG2 THR 67 -15.222 -10.939 -12.457 1226 3HG2 THR 67 3HG2 THR 67 -13.910 -10.488 -11.367 1227 H LEU 68 HN LEU 68 -15.287 -10.590 -7.483 1228 HA LEU 68 HA LEU 68 -13.717 -8.234 -7.648 1229 1HB LEU 68 2HB LEU 68 -15.803 -8.580 -6.361 1230 2HB LEU 68 1HB LEU 68 -14.963 -9.707 -5.300 1231 HG LEU 68 HG LEU 68 -13.316 -7.704 -4.916 1232 1HD1 LEU 68 1HD1 LEU 68 -14.154 -6.163 -6.556 1233 2HD1 LEU 68 2HD1 LEU 68 -14.660 -5.534 -4.988 1234 3HD1 LEU 68 3HD1 LEU 68 -15.816 -6.388 -6.009 1235 1HD2 LEU 68 1HD2 LEU 68 -14.375 -7.481 -2.900 1236 2HD2 LEU 68 2HD2 LEU 68 -15.366 -8.807 -3.515 1237 3HD2 LEU 68 3HD2 LEU 68 -15.936 -7.143 -3.649 1238 H ARG 69 HN ARG 69 -13.219 -11.259 -5.832 1239 HA ARG 69 HA ARG 69 -10.644 -10.539 -4.700 1240 1HB ARG 69 2HB ARG 69 -12.149 -12.270 -3.808 1241 2HB ARG 69 1HB ARG 69 -11.984 -13.194 -5.300 1242 1HG ARG 69 2HG ARG 69 -9.612 -13.527 -4.896 1243 2HG ARG 69 1HG ARG 69 -9.668 -12.472 -3.483 1244 1HD ARG 69 2HD ARG 69 -11.221 -14.023 -2.363 1245 2HD ARG 69 1HD ARG 69 -11.186 -15.089 -3.775 1246 HE ARG 69 HE ARG 69 -8.969 -14.671 -1.866 1247 1HH1 ARG 69 1HH1 ARG 69 -10.023 -15.858 -4.954 1248 2HH1 ARG 69 2HH1 ARG 69 -8.709 -16.971 -5.103 1249 1HH2 ARG 69 1HH2 ARG 69 -7.261 -16.113 -2.080 1250 2HH2 ARG 69 2HH2 ARG 69 -7.150 -17.113 -3.490 1251 H ILE 70 HN ILE 70 -11.690 -12.265 -7.637 1252 HA ILE 70 HA ILE 70 -9.122 -13.214 -8.418 1253 HB ILE 70 HB ILE 70 -11.755 -13.457 -9.141 1254 1HG1 ILE 70 2HG1 ILE 70 -9.369 -14.337 -10.781 1255 2HG1 ILE 70 1HG1 ILE 70 -9.951 -15.150 -9.327 1256 1HG2 ILE 70 1HG2 ILE 70 -11.583 -11.423 -10.579 1257 2HG2 ILE 70 2HG2 ILE 70 -12.013 -12.876 -11.475 1258 3HG2 ILE 70 3HG2 ILE 70 -10.364 -12.255 -11.542 1259 1HD1 ILE 70 1HD1 ILE 70 -11.152 -16.382 -10.834 1260 2HD1 ILE 70 2HD1 ILE 70 -11.101 -15.118 -12.063 1261 3HD1 ILE 70 3HD1 ILE 70 -12.261 -15.013 -10.738 1262 H THR 71 HN THR 71 -10.917 -10.280 -9.253 1263 HA THR 71 HA THR 71 -8.747 -9.228 -10.940 1264 HB THR 71 HB THR 71 -10.289 -7.337 -11.169 1265 HG1 THR 71 HG1 THR 71 -11.930 -8.598 -9.249 1266 1HG2 THR 71 1HG2 THR 71 -10.788 -9.693 -12.193 1267 2HG2 THR 71 2HG2 THR 71 -12.026 -8.437 -12.255 1268 3HG2 THR 71 3HG2 THR 71 -12.118 -9.708 -11.036 1269 H ASN 72 HN ASN 72 -8.602 -6.645 -10.240 1270 HA ASN 72 HA ASN 72 -7.706 -6.600 -7.388 1271 1HB ASN 72 2HB ASN 72 -5.892 -6.040 -8.803 1272 2HB ASN 72 1HB ASN 72 -6.922 -5.147 -9.913 1273 1HD2 ASN 72 1HD2 ASN 72 -5.697 -3.158 -9.741 1274 2HD2 ASN 72 2HD2 ASN 72 -5.678 -2.242 -8.307 1275 H LEU 73 HN LEU 73 -10.475 -6.290 -8.840 1276 HA LEU 73 HA LEU 73 -11.281 -3.533 -8.381 1277 1HB LEU 73 2HB LEU 73 -12.726 -6.180 -8.691 1278 2HB LEU 73 1HB LEU 73 -13.570 -4.640 -8.545 1279 HG LEU 73 HG LEU 73 -11.500 -5.269 -10.683 1280 1HD1 LEU 73 1HD1 LEU 73 -14.521 -5.319 -10.679 1281 2HD1 LEU 73 2HD1 LEU 73 -13.411 -6.585 -11.198 1282 3HD1 LEU 73 3HD1 LEU 73 -13.592 -5.120 -12.162 1283 1HD2 LEU 73 1HD2 LEU 73 -11.451 -2.986 -10.709 1284 2HD2 LEU 73 2HD2 LEU 73 -12.959 -2.847 -9.806 1285 3HD2 LEU 73 3HD2 LEU 73 -12.997 -3.148 -11.544 1286 H GLY 74 HN GLY 74 -11.429 -6.554 -6.463 1287 1HA GLY 74 2HA GLY 74 -12.944 -5.745 -4.292 1288 2HA GLY 74 1HA GLY 74 -11.556 -6.813 -4.142 1289 H ASP 75 HN ASP 75 -9.832 -4.536 -5.259 1290 HA ASP 75 HA ASP 75 -8.813 -3.634 -2.769 1291 1HB ASP 75 2HB ASP 75 -7.362 -2.299 -4.158 1292 2HB ASP 75 1HB ASP 75 -7.711 -3.775 -5.056 1293 H LEU 76 HN LEU 76 -11.489 -2.489 -4.607 1294 HA LEU 76 HA LEU 76 -11.420 0.292 -4.051 1295 1HB LEU 76 2HB LEU 76 -13.666 -1.674 -4.498 1296 2HB LEU 76 1HB LEU 76 -13.915 0.067 -4.455 1297 HG LEU 76 HG LEU 76 -11.916 -1.271 -6.290 1298 1HD1 LEU 76 1HD1 LEU 76 -14.805 -1.138 -6.469 1299 2HD1 LEU 76 2HD1 LEU 76 -13.661 -1.918 -7.561 1300 3HD1 LEU 76 3HD1 LEU 76 -14.064 -0.215 -7.776 1301 1HD2 LEU 76 1HD2 LEU 76 -12.821 1.496 -5.706 1302 2HD2 LEU 76 2HD2 LEU 76 -12.612 1.101 -7.413 1303 3HD2 LEU 76 3HD2 LEU 76 -11.260 0.923 -6.294 1304 H LYS 77 HN LYS 77 -12.286 1.528 -2.415 1305 HA LYS 77 HA LYS 77 -13.770 0.255 -0.198 1306 1HB LYS 77 2HB LYS 77 -11.132 1.727 0.132 1307 2HB LYS 77 1HB LYS 77 -12.183 1.251 1.467 1308 1HG LYS 77 2HG LYS 77 -11.969 -1.115 0.797 1309 2HG LYS 77 1HG LYS 77 -10.915 -0.641 -0.537 1310 1HD LYS 77 2HD LYS 77 -9.304 0.313 1.069 1311 2HD LYS 77 1HD LYS 77 -10.353 -0.163 2.404 1312 1HE LYS 77 2HE LYS 77 -10.060 -2.512 1.895 1313 2HE LYS 77 1HE LYS 77 -9.191 -2.124 0.397 1314 1HZ LYS 77 1HZ LYS 77 -7.397 -2.248 1.740 1315 2HZ LYS 77 2HZ LYS 77 -8.288 -1.952 3.156 1316 3HZ LYS 77 3HZ LYS 77 -7.831 -0.661 2.152 1317 H VAL 78 HN VAL 78 -15.267 1.711 0.626 1318 HA VAL 78 HA VAL 78 -15.884 4.037 -0.857 1319 HB VAL 78 HB VAL 78 -16.634 3.416 2.013 1320 1HG1 VAL 78 1HG1 VAL 78 -17.307 5.564 0.400 1321 2HG1 VAL 78 2HG1 VAL 78 -18.261 4.979 1.766 1322 3HG1 VAL 78 3HG1 VAL 78 -18.647 4.438 0.131 1323 1HG2 VAL 78 1HG2 VAL 78 -18.520 2.517 0.042 1324 2HG2 VAL 78 2HG2 VAL 78 -17.677 1.575 1.270 1325 3HG2 VAL 78 3HG2 VAL 78 -16.937 1.827 -0.310 1326 H GLY 79 HN GLY 79 -15.696 6.256 -0.331 1327 1HA GLY 79 2HA GLY 79 -14.770 8.139 0.831 1328 2HA GLY 79 1HA GLY 79 -13.864 7.029 1.861 1329 H ASP 80 HN ASP 80 -13.287 5.585 -0.871 1330 HA ASP 80 HA ASP 80 -10.849 7.189 -1.503 1331 1HB ASP 80 2HB ASP 80 -10.939 4.657 -0.920 1332 2HB ASP 80 1HB ASP 80 -11.596 4.454 -2.542 1333 H TRP 81 HN TRP 81 -10.321 7.255 -3.924 1334 HA TRP 81 HA TRP 81 -12.847 7.570 -5.513 1335 1HB TRP 81 2HB TRP 81 -10.226 9.083 -5.503 1336 2HB TRP 81 1HB TRP 81 -11.379 9.225 -6.823 1337 HD1 TRP 81 HD1 TRP 81 -11.856 9.186 -2.972 1338 HE1 TRP 81 HE1 TRP 81 -13.336 11.188 -2.336 1339 HE3 TRP 81 HE3 TRP 81 -12.504 11.305 -7.577 1340 HZ2 TRP 81 HZ2 TRP 81 -14.619 13.409 -3.599 1341 HZ3 TRP 81 HZ3 TRP 81 -13.859 13.368 -7.830 1342 HH2 TRP 81 HH2 TRP 81 -14.917 14.419 -5.846 1343 H VAL 82 HN VAL 82 -12.413 7.275 -7.923 1344 HA VAL 82 HA VAL 82 -10.333 5.180 -8.441 1345 HB VAL 82 HB VAL 82 -12.332 3.958 -8.058 1346 1HG1 VAL 82 1HG1 VAL 82 -14.360 4.933 -9.640 1347 2HG1 VAL 82 2HG1 VAL 82 -13.564 6.416 -9.111 1348 3HG1 VAL 82 3HG1 VAL 82 -14.185 5.275 -7.917 1349 1HG2 VAL 82 1HG2 VAL 82 -12.389 2.828 -10.023 1350 2HG2 VAL 82 2HG2 VAL 82 -11.249 4.042 -10.609 1351 3HG2 VAL 82 3HG2 VAL 82 -12.980 4.242 -10.899 1352 H ASN 83 HN ASN 83 -9.565 5.168 -10.574 1353 HA ASN 83 HA ASN 83 -9.990 7.527 -12.265 1354 1HB ASN 83 2HB ASN 83 -8.279 5.157 -12.039 1355 2HB ASN 83 1HB ASN 83 -8.719 5.496 -13.699 1356 1HD2 ASN 83 1HD2 ASN 83 -6.085 5.893 -13.254 1357 2HD2 ASN 83 2HD2 ASN 83 -5.705 7.538 -13.077 1358 H VAL 84 HN VAL 84 -12.100 7.586 -13.068 1359 HA VAL 84 HA VAL 84 -13.216 5.038 -14.157 1360 HB VAL 84 HB VAL 84 -15.355 6.625 -14.117 1361 1HG1 VAL 84 1HG1 VAL 84 -14.215 5.545 -11.536 1362 2HG1 VAL 84 2HG1 VAL 84 -14.800 4.500 -12.835 1363 3HG1 VAL 84 3HG1 VAL 84 -15.907 5.617 -12.035 1364 1HG2 VAL 84 1HG2 VAL 84 -15.287 8.213 -12.270 1365 2HG2 VAL 84 2HG2 VAL 84 -14.010 8.626 -13.415 1366 3HG2 VAL 84 3HG2 VAL 84 -13.612 7.785 -11.917 1367 H GLU 85 HN GLU 85 -13.866 4.859 -16.242 1368 HA GLU 85 HA GLU 85 -13.615 7.242 -18.039 1369 1HB GLU 85 2HB GLU 85 -11.453 6.056 -17.916 1370 2HB GLU 85 1HB GLU 85 -12.255 4.544 -18.344 1371 1HG GLU 85 2HG GLU 85 -12.950 5.520 -20.502 1372 2HG GLU 85 1HG GLU 85 -12.145 7.031 -20.078 1373 H ARG 86 HN ARG 86 -15.077 7.172 -19.769 1374 HA ARG 86 HA ARG 86 -17.328 5.419 -19.689 1375 1HB ARG 86 2HB ARG 86 -16.101 7.117 -21.887 1376 2HB ARG 86 1HB ARG 86 -17.704 6.390 -21.989 1377 1HG ARG 86 2HG ARG 86 -18.393 7.612 -19.958 1378 2HG ARG 86 1HG ARG 86 -16.790 8.342 -19.856 1379 1HD ARG 86 2HD ARG 86 -17.173 9.289 -22.181 1380 2HD ARG 86 1HD ARG 86 -18.856 8.746 -22.040 1381 HE ARG 86 HE ARG 86 -18.455 10.095 -19.676 1382 1HH1 ARG 86 1HH1 ARG 86 -17.923 10.823 -23.013 1383 2HH1 ARG 86 2HH1 ARG 86 -18.180 12.523 -22.814 1384 1HH2 ARG 86 1HH2 ARG 86 -18.790 12.311 -19.409 1385 2HH2 ARG 86 2HH2 ARG 86 -18.669 13.365 -20.779 1386 H ALA 87 HN ALA 87 -17.574 3.358 -20.485 1387 HA ALA 87 HA ALA 87 -15.479 2.312 -22.366 1388 1HB ALA 87 1HB ALA 87 -16.862 0.452 -20.523 1389 2HB ALA 87 2HB ALA 87 -15.795 1.625 -19.752 1390 3HB ALA 87 3HB ALA 87 -15.160 0.526 -20.976 1391 H ALA 88 HN ALA 88 -16.245 0.871 -23.972 1392 HA ALA 88 HA ALA 88 -19.195 0.416 -24.142 1393 1HB ALA 88 1HB ALA 88 -18.738 2.574 -25.179 1394 2HB ALA 88 2HB ALA 88 -19.094 1.400 -26.447 1395 3HB ALA 88 3HB ALA 88 -17.424 1.869 -26.122 1396 H LYS 89 HN LYS 89 -19.750 -1.213 -25.702 1397 HA LYS 89 HA LYS 89 -17.965 -3.427 -26.028 1398 1HB LYS 89 2HB LYS 89 -20.460 -2.529 -27.509 1399 2HB LYS 89 1HB LYS 89 -19.770 -4.150 -27.604 1400 1HG LYS 89 2HG LYS 89 -20.510 -4.730 -25.525 1401 2HG LYS 89 1HG LYS 89 -20.210 -3.123 -24.862 1402 1HD LYS 89 2HD LYS 89 -22.223 -2.257 -25.910 1403 2HD LYS 89 1HD LYS 89 -22.502 -3.796 -26.727 1404 1HE LYS 89 2HE LYS 89 -22.714 -4.905 -24.492 1405 2HE LYS 89 1HE LYS 89 -22.563 -3.311 -23.727 1406 1HZ LYS 89 1HZ LYS 89 -24.371 -2.738 -25.545 1407 2HZ LYS 89 2HZ LYS 89 -24.804 -3.348 -24.019 1408 3HZ LYS 89 3HZ LYS 89 -24.736 -4.384 -25.364 1409 H PHE 90 HN PHE 90 -18.845 -0.725 -28.180 1410 HA PHE 90 HA PHE 90 -16.568 -1.508 -29.971 1411 1HB PHE 90 2HB PHE 90 -18.010 -0.914 -31.848 1412 2HB PHE 90 1HB PHE 90 -18.861 -2.069 -30.824 1413 HD1 PHE 90 HD1 PHE 90 -18.667 1.440 -31.919 1414 HD2 PHE 90 HD2 PHE 90 -20.742 -1.374 -29.417 1415 HE1 PHE 90 HE1 PHE 90 -20.504 3.078 -31.600 1416 HE2 PHE 90 HE2 PHE 90 -22.580 0.264 -29.099 1417 HZ PHE 90 HZ PHE 90 -22.461 2.489 -30.191 1418 H SER 91 HN SER 91 -15.675 0.349 -31.185 1419 HA SER 91 HA SER 91 -14.998 2.499 -29.500 1420 1HB SER 91 2HB SER 91 -14.057 3.451 -31.603 1421 2HB SER 91 1HB SER 91 -13.707 1.733 -31.438 1422 HG SER 91 HG SER 91 -15.904 1.654 -32.648 1423 H ASP 92 HN ASP 92 -15.846 4.539 -29.171 1424 HA ASP 92 HA ASP 92 -18.389 5.233 -30.597 1425 1HB ASP 92 2HB ASP 92 -17.159 6.023 -27.940 1426 2HB ASP 92 1HB ASP 92 -18.608 6.788 -28.591 1427 H GLU 93 HN GLU 93 -15.068 6.019 -30.351 1428 HA GLU 93 HA GLU 93 -15.547 8.774 -31.428 1429 1HB GLU 93 2HB GLU 93 -13.278 7.478 -29.890 1430 2HB GLU 93 1HB GLU 93 -13.164 9.093 -30.591 1431 1HG GLU 93 2HG GLU 93 -15.130 9.806 -29.282 1432 2HG GLU 93 1HG GLU 93 -15.246 8.193 -28.578 1433 H ILE 94 HN ILE 94 -15.842 6.884 -33.342 1434 HA ILE 94 HA ILE 94 -13.508 5.925 -34.673 1435 HB ILE 94 HB ILE 94 -16.241 6.795 -35.662 1436 1HG1 ILE 94 2HG1 ILE 94 -16.382 4.990 -34.057 1437 2HG1 ILE 94 1HG1 ILE 94 -16.602 4.293 -35.662 1438 1HG2 ILE 94 1HG2 ILE 94 -14.920 6.743 -37.615 1439 2HG2 ILE 94 2HG2 ILE 94 -15.608 5.121 -37.542 1440 3HG2 ILE 94 3HG2 ILE 94 -13.945 5.396 -37.026 1441 1HD1 ILE 94 1HD1 ILE 94 -13.943 4.061 -35.509 1442 2HD1 ILE 94 2HD1 ILE 94 -15.017 2.829 -34.848 1443 3HD1 ILE 94 3HD1 ILE 94 -14.298 4.036 -33.782 1444 H GLY 95 HN GLY 95 -15.258 9.013 -34.912 1445 1HA GLY 95 2HA GLY 95 -14.729 10.988 -36.073 1446 2HA GLY 95 1HA GLY 95 -13.060 10.623 -35.631 1447 H GLY 96 HN GLY 96 -15.552 9.647 -38.009 1448 1HA GLY 96 2HA GLY 96 -14.216 10.171 -40.354 1449 2HA GLY 96 1HA GLY 96 -13.534 8.623 -39.851 1450 H HIS 97 HN HIS 97 -14.781 8.330 -42.126 1451 HA HIS 97 HA HIS 97 -17.487 7.236 -41.426 1452 1HB HIS 97 2HB HIS 97 -16.487 8.904 -43.720 1453 2HB HIS 97 1HB HIS 97 -17.857 7.820 -43.970 1454 HD1 HIS 97 HD1 HIS 97 -20.062 8.359 -42.721 1455 HD2 HIS 97 HD2 HIS 97 -17.013 11.103 -41.974 1456 HE1 HIS 97 HE1 HIS 97 -21.144 10.332 -41.560 1457 HN3 RBF 98 HN3 RBF 98 3.985 6.727 -13.283 1458 HC6 RBF 98 HC6 RBF 98 2.681 5.233 -19.932 1459 1HC7 RBF 98 1HC7 RBF 98 0.503 5.945 -22.702 1460 2HC7 RBF 98 2HC7 RBF 98 1.812 4.909 -22.091 1461 3HC7 RBF 98 3HC7 RBF 98 2.199 6.408 -22.968 1462 1HC8 RBF 98 1HC8 RBF 98 -0.518 9.325 -21.771 1463 2HC8 RBF 98 2HC8 RBF 98 -0.512 7.716 -22.525 1464 3HC8 RBF 98 3HC8 RBF 98 0.838 8.837 -22.809 1465 HC9 RBF 98 HC9 RBF 98 0.308 9.581 -19.597 1466 1HC1 RBF 98 1HC1 RBF 98 1.267 10.814 -17.822 1467 2HC1 RBF 98 2HC1 RBF 98 0.887 10.417 -16.134 1468 HC2* RBF 98 HC2* RBF 98 -0.838 8.978 -18.023 1469 HO2* RBF 98 HO2* RBF 98 -1.343 10.620 -19.272 1470 HC3* RBF 98 HC3* RBF 98 -0.908 9.861 -15.394 1471 HO3* RBF 98 HO3* RBF 98 -2.285 8.254 -15.729 1472 HC4* RBF 98 HC4* RBF 98 -2.873 11.397 -15.312 1473 HO4* RBF 98 HO4* RBF 98 -3.761 11.020 -17.373 1474 1HC5 RBF 98 1HC5 RBF 98 -0.562 12.278 -15.144 1475 2HC5 RBF 98 2HC5 RBF 98 -0.524 12.476 -16.906 1476 HO5* RBF 98 HO5* RBF 98 -1.371 14.264 -15.210 1477 HN3 RBF 99 HN3 RBF 99 -18.518 -6.570 -12.300 1478 HC6 RBF 99 HC6 RBF 99 -17.432 -5.684 -19.096 1479 1HC7 RBF 99 1HC7 RBF 99 -15.341 -6.646 -21.858 1480 2HC7 RBF 99 2HC7 RBF 99 -16.633 -5.560 -21.303 1481 3HC7 RBF 99 3HC7 RBF 99 -17.043 -7.130 -22.026 1482 1HC8 RBF 99 1HC8 RBF 99 -14.280 -9.926 -20.656 1483 2HC8 RBF 99 2HC8 RBF 99 -14.316 -8.392 -21.553 1484 3HC8 RBF 99 3HC8 RBF 99 -15.670 -9.533 -21.691 1485 HC9 RBF 99 HC9 RBF 99 -15.036 -9.983 -18.443 1486 1HC1 RBF 99 1HC1 RBF 99 -15.934 -11.049 -16.532 1487 2HC1 RBF 99 2HC1 RBF 99 -15.501 -10.498 -14.901 1488 HC2* RBF 99 HC2* RBF 99 -13.844 -9.238 -16.967 1489 HO2* RBF 99 HO2* RBF 99 -13.372 -10.987 -18.077 1490 HC3* RBF 99 HC3* RBF 99 -13.684 -9.878 -14.273 1491 HO3* RBF 99 HO3* RBF 99 -12.324 -8.309 -14.797 1492 HC4* RBF 99 HC4* RBF 99 -11.712 -11.398 -14.111 1493 HO4* RBF 99 HO4* RBF 99 -10.893 -11.212 -16.229 1494 1HC5 RBF 99 1HC5 RBF 99 -14.016 -12.263 -13.793 1495 2HC5 RBF 99 2HC5 RBF 99 -14.111 -12.619 -15.530 1496 HO5* RBF 99 HO5* RBF 99 -13.202 -14.247 -13.704 Start of MODEL 4 1 1H MET 1 1HT MET 1 -12.456 -0.225 -28.717 2 2H MET 1 2HT MET 1 -14.125 -0.250 -29.037 3 3H MET 1 3HT MET 1 -13.063 -1.187 -29.976 4 HA MET 1 HA MET 1 -14.467 -2.133 -27.878 5 1HB MET 1 2HB MET 1 -12.977 -4.053 -28.177 6 2HB MET 1 1HB MET 1 -13.262 -3.290 -29.743 7 1HG MET 1 2HG MET 1 -11.128 -2.019 -29.461 8 2HG MET 1 1HG MET 1 -10.830 -2.915 -27.972 9 1HE MET 1 1HE MET 1 -10.667 -3.540 -32.170 10 2HE MET 1 2HE MET 1 -12.163 -3.170 -31.316 11 3HE MET 1 3HE MET 1 -11.862 -4.812 -31.881 12 H PHE 2 HN PHE 2 -13.374 -3.318 -25.911 13 HA PHE 2 HA PHE 2 -11.061 -2.260 -24.641 14 1HB PHE 2 2HB PHE 2 -12.079 -0.726 -23.070 15 2HB PHE 2 1HB PHE 2 -12.584 -0.233 -24.679 16 HD1 PHE 2 HD1 PHE 2 -14.866 0.118 -25.095 17 HD2 PHE 2 HD2 PHE 2 -13.685 -2.435 -21.837 18 HE1 PHE 2 HE1 PHE 2 -17.235 -0.111 -24.405 19 HE2 PHE 2 HE2 PHE 2 -16.058 -2.660 -21.158 20 HZ PHE 2 HZ PHE 2 -17.834 -1.497 -22.441 21 H THR 3 HN THR 3 -10.608 -3.633 -22.901 22 HA THR 3 HA THR 3 -12.815 -5.522 -22.152 23 HB THR 3 HB THR 3 -11.165 -7.268 -22.326 24 HG1 THR 3 HG1 THR 3 -9.232 -5.257 -22.803 25 1HG2 THR 3 1HG2 THR 3 -11.765 -5.513 -24.486 26 2HG2 THR 3 2HG2 THR 3 -11.308 -7.217 -24.570 27 3HG2 THR 3 3HG2 THR 3 -10.066 -5.970 -24.643 28 H GLY 4 HN GLY 4 -9.863 -3.866 -21.066 29 1HA GLY 4 2HA GLY 4 -9.066 -3.447 -18.899 30 2HA GLY 4 1HA GLY 4 -10.750 -3.557 -18.378 31 H ILE 5 HN ILE 5 -9.551 -6.290 -20.073 32 HA ILE 5 HA ILE 5 -9.851 -7.915 -17.626 33 HB ILE 5 HB ILE 5 -9.150 -8.736 -20.464 34 1HG1 ILE 5 2HG1 ILE 5 -11.875 -8.297 -19.205 35 2HG1 ILE 5 1HG1 ILE 5 -11.153 -7.298 -20.463 36 1HG2 ILE 5 1HG2 ILE 5 -8.931 -10.592 -18.994 37 2HG2 ILE 5 2HG2 ILE 5 -10.540 -10.756 -19.699 38 3HG2 ILE 5 3HG2 ILE 5 -10.354 -10.121 -18.064 39 1HD1 ILE 5 1HD1 ILE 5 -10.913 -9.760 -21.595 40 2HD1 ILE 5 2HD1 ILE 5 -12.288 -8.691 -21.871 41 3HD1 ILE 5 3HD1 ILE 5 -12.397 -9.974 -20.667 42 H VAL 6 HN VAL 6 -8.081 -8.209 -16.337 43 HA VAL 6 HA VAL 6 -5.411 -7.587 -17.349 44 HB VAL 6 HB VAL 6 -6.728 -8.179 -14.713 45 1HG1 VAL 6 1HG1 VAL 6 -4.368 -7.800 -13.722 46 2HG1 VAL 6 2HG1 VAL 6 -3.770 -8.261 -15.315 47 3HG1 VAL 6 3HG1 VAL 6 -4.722 -9.404 -14.367 48 1HG2 VAL 6 1HG2 VAL 6 -6.704 -5.928 -14.703 49 2HG2 VAL 6 2HG2 VAL 6 -5.794 -5.907 -16.214 50 3HG2 VAL 6 3HG2 VAL 6 -4.941 -5.989 -14.673 51 H GLN 7 HN GLN 7 -3.689 -9.000 -17.560 52 HA GLN 7 HA GLN 7 -4.206 -11.814 -18.026 53 1HB GLN 7 2HB GLN 7 -1.672 -10.173 -17.709 54 2HB GLN 7 1HB GLN 7 -1.729 -11.823 -18.334 55 1HG GLN 7 2HG GLN 7 -3.261 -9.506 -19.546 56 2HG GLN 7 1HG GLN 7 -1.695 -10.067 -20.134 57 1HE2 GLN 7 1HE2 GLN 7 -4.605 -10.206 -21.277 58 2HE2 GLN 7 2HE2 GLN 7 -4.754 -11.830 -21.749 59 H GLY 8 HN GLY 8 -2.903 -9.912 -15.288 60 1HA GLY 8 2HA GLY 8 -3.321 -12.158 -13.471 61 2HA GLY 8 1HA GLY 8 -1.615 -11.912 -13.841 62 H THR 9 HN THR 9 -2.208 -11.563 -11.254 63 HA THR 9 HA THR 9 -2.599 -8.616 -10.890 64 HB THR 9 HB THR 9 -3.303 -9.330 -8.583 65 HG1 THR 9 HG1 THR 9 -2.062 -11.385 -8.894 66 1HG2 THR 9 1HG2 THR 9 -5.304 -10.806 -9.664 67 2HG2 THR 9 2HG2 THR 9 -4.636 -10.073 -11.122 68 3HG2 THR 9 3HG2 THR 9 -5.212 -9.049 -9.806 69 H ALA 10 HN ALA 10 -1.431 -7.777 -8.896 70 HA ALA 10 HA ALA 10 1.296 -9.002 -8.595 71 1HB ALA 10 1HB ALA 10 2.081 -7.252 -9.795 72 2HB ALA 10 2HB ALA 10 1.431 -6.156 -8.576 73 3HB ALA 10 3HB ALA 10 0.443 -6.612 -9.967 74 H LYS 11 HN LYS 11 2.277 -8.555 -6.559 75 HA LYS 11 HA LYS 11 0.372 -7.531 -4.483 76 1HB LYS 11 2HB LYS 11 1.226 -9.829 -4.252 77 2HB LYS 11 1HB LYS 11 2.877 -9.221 -4.309 78 1HG LYS 11 2HG LYS 11 2.530 -7.935 -2.270 79 2HG LYS 11 1HG LYS 11 0.833 -8.410 -2.229 80 1HD LYS 11 2HD LYS 11 1.300 -10.453 -1.366 81 2HD LYS 11 1HD LYS 11 2.710 -10.672 -2.405 82 1HE LYS 11 2HE LYS 11 4.018 -9.142 -0.944 83 2HE LYS 11 1HE LYS 11 2.607 -8.980 0.121 84 1HZ LYS 11 1HZ LYS 11 4.455 -10.920 0.358 85 2HZ LYS 11 2HZ LYS 11 3.284 -11.702 -0.591 86 3HZ LYS 11 3HZ LYS 11 2.860 -11.048 0.920 87 H LEU 12 HN LEU 12 0.784 -5.427 -3.927 88 HA LEU 12 HA LEU 12 3.252 -4.002 -4.329 89 1HB LEU 12 2HB LEU 12 0.779 -3.263 -3.749 90 2HB LEU 12 1HB LEU 12 1.301 -3.498 -2.094 91 HG LEU 12 HG LEU 12 3.057 -1.864 -2.335 92 1HD1 LEU 12 1HD1 LEU 12 4.043 -1.833 -4.382 93 2HD1 LEU 12 2HD1 LEU 12 2.778 -0.682 -4.814 94 3HD1 LEU 12 3HD1 LEU 12 2.580 -2.394 -5.189 95 1HD2 LEU 12 1HD2 LEU 12 0.289 -1.274 -2.750 96 2HD2 LEU 12 2HD2 LEU 12 1.229 -0.161 -3.743 97 3HD2 LEU 12 3HD2 LEU 12 1.517 -0.250 -2.005 98 H VAL 13 HN VAL 13 5.107 -4.247 -3.200 99 HA VAL 13 HA VAL 13 4.954 -5.536 -0.503 100 HB VAL 13 HB VAL 13 5.828 -7.154 -1.959 101 1HG1 VAL 13 1HG1 VAL 13 6.791 -4.846 -3.464 102 2HG1 VAL 13 2HG1 VAL 13 6.363 -6.464 -4.031 103 3HG1 VAL 13 3HG1 VAL 13 7.971 -6.152 -3.370 104 1HG2 VAL 13 1HG2 VAL 13 7.325 -6.413 0.054 105 2HG2 VAL 13 2HG2 VAL 13 8.410 -5.823 -1.205 106 3HG2 VAL 13 3HG2 VAL 13 7.987 -7.533 -1.136 107 H SER 14 HN SER 14 6.507 -3.181 -2.601 108 HA SER 14 HA SER 14 7.521 -1.801 -0.145 109 1HB SER 14 2HB SER 14 9.060 -3.467 -1.772 110 2HB SER 14 1HB SER 14 9.482 -1.840 -2.295 111 HG SER 14 HG SER 14 9.445 -2.771 0.391 112 H ILE 15 HN ILE 15 7.652 0.441 -0.384 113 HA ILE 15 HA ILE 15 6.920 1.562 -3.074 114 HB ILE 15 HB ILE 15 6.768 2.913 -0.365 115 1HG1 ILE 15 2HG1 ILE 15 4.679 1.334 -1.887 116 2HG1 ILE 15 1HG1 ILE 15 5.344 0.967 -0.300 117 1HG2 ILE 15 1HG2 ILE 15 6.685 4.564 -2.034 118 2HG2 ILE 15 2HG2 ILE 15 4.974 4.206 -1.768 119 3HG2 ILE 15 3HG2 ILE 15 5.816 3.519 -3.158 120 1HD1 ILE 15 1HD1 ILE 15 3.489 3.208 -1.080 121 2HD1 ILE 15 2HD1 ILE 15 4.473 3.315 0.379 122 3HD1 ILE 15 3HD1 ILE 15 3.292 2.017 0.204 123 H ASP 16 HN ASP 16 8.425 2.868 -4.036 124 HA ASP 16 HA ASP 16 10.862 3.603 -2.467 125 1HB ASP 16 2HB ASP 16 10.288 3.006 -5.365 126 2HB ASP 16 1HB ASP 16 11.751 3.873 -4.894 127 H GLU 17 HN GLU 17 10.703 5.724 -1.808 128 HA GLU 17 HA GLU 17 9.082 7.590 -3.478 129 1HB GLU 17 2HB GLU 17 8.539 7.156 -1.076 130 2HB GLU 17 1HB GLU 17 10.119 7.806 -0.634 131 1HG GLU 17 2HG GLU 17 9.529 9.962 -1.680 132 2HG GLU 17 1HG GLU 17 7.948 9.316 -2.119 133 H LYS 18 HN LYS 18 10.306 8.803 -4.875 134 HA LYS 18 HA LYS 18 12.942 9.856 -3.901 135 1HB LYS 18 2HB LYS 18 12.017 9.873 -6.771 136 2HB LYS 18 1HB LYS 18 13.662 9.815 -6.144 137 1HG LYS 18 2HG LYS 18 12.494 7.494 -5.139 138 2HG LYS 18 1HG LYS 18 11.844 7.620 -6.775 139 1HD LYS 18 2HD LYS 18 14.790 7.963 -6.194 140 2HD LYS 18 1HD LYS 18 14.081 6.384 -6.530 141 1HE LYS 18 2HE LYS 18 13.579 6.931 -8.747 142 2HE LYS 18 1HE LYS 18 13.528 8.671 -8.409 143 1HZ LYS 18 1HZ LYS 18 16.056 7.500 -7.738 144 2HZ LYS 18 2HZ LYS 18 15.716 8.855 -8.705 145 3HZ LYS 18 3HZ LYS 18 15.684 7.298 -9.381 146 HA PRO 19 HA PRO 19 10.748 13.691 -3.463 147 1HB PRO 19 2HB PRO 19 13.067 15.258 -3.866 148 2HB PRO 19 1HB PRO 19 12.433 14.703 -2.307 149 1HG PRO 19 2HG PRO 19 14.618 13.583 -3.965 150 2HG PRO 19 1HG PRO 19 14.428 13.605 -2.205 151 1HD PRO 19 2HD PRO 19 14.050 11.367 -3.640 152 2HD PRO 19 1HD PRO 19 13.078 11.726 -2.193 153 H ASN 20 HN ASN 20 12.795 12.795 -6.147 154 HA ASN 20 HA ASN 20 11.869 14.958 -7.919 155 1HB ASN 20 2HB ASN 20 13.151 12.326 -8.685 156 2HB ASN 20 1HB ASN 20 13.281 13.880 -9.507 157 1HD2 ASN 20 1HD2 ASN 20 14.903 11.822 -7.375 158 2HD2 ASN 20 2HD2 ASN 20 15.971 12.950 -6.695 159 H PHE 21 HN PHE 21 11.226 11.487 -7.437 160 HA PHE 21 HA PHE 21 8.543 11.789 -8.649 161 1HB PHE 21 2HB PHE 21 10.743 10.011 -9.756 162 2HB PHE 21 1HB PHE 21 9.059 9.948 -10.274 163 HD1 PHE 21 HD1 PHE 21 8.057 11.777 -11.559 164 HD2 PHE 21 HD2 PHE 21 12.173 11.914 -10.325 165 HE1 PHE 21 HE1 PHE 21 8.468 13.647 -13.139 166 HE2 PHE 21 HE2 PHE 21 12.584 13.784 -11.904 167 HZ PHE 21 HZ PHE 21 10.731 14.650 -13.311 168 H ARG 22 HN ARG 22 7.142 10.036 -8.019 169 HA ARG 22 HA ARG 22 8.137 8.469 -5.715 170 1HB ARG 22 2HB ARG 22 5.997 9.726 -5.642 171 2HB ARG 22 1HB ARG 22 5.387 8.725 -6.959 172 1HG ARG 22 2HG ARG 22 5.648 6.711 -5.580 173 2HG ARG 22 1HG ARG 22 6.298 7.687 -4.262 174 1HD ARG 22 2HD ARG 22 4.162 8.940 -4.135 175 2HD ARG 22 1HD ARG 22 3.503 7.929 -5.437 176 HE ARG 22 HE ARG 22 4.412 6.053 -3.664 177 1HH1 ARG 22 1HH1 ARG 22 2.468 8.895 -3.350 178 2HH1 ARG 22 2HH1 ARG 22 1.568 8.284 -2.004 179 1HH2 ARG 22 1HH2 ARG 22 3.242 5.252 -1.909 180 2HH2 ARG 22 2HH2 ARG 22 2.004 6.226 -1.189 181 H THR 23 HN THR 23 8.199 6.229 -5.702 182 HA THR 23 HA THR 23 7.817 4.834 -8.323 183 HB THR 23 HB THR 23 10.045 4.580 -6.276 184 HG1 THR 23 HG1 THR 23 9.727 6.000 -8.669 185 1HG2 THR 23 1HG2 THR 23 9.182 2.927 -8.517 186 2HG2 THR 23 2HG2 THR 23 10.384 2.585 -7.271 187 3HG2 THR 23 3HG2 THR 23 10.844 3.485 -8.717 188 H HIS 24 HN HIS 24 6.912 2.746 -8.135 189 HA HIS 24 HA HIS 24 6.458 1.742 -5.351 190 1HB HIS 24 2HB HIS 24 4.634 2.600 -7.450 191 2HB HIS 24 1HB HIS 24 4.288 0.962 -6.892 192 HD1 HIS 24 HD1 HIS 24 3.174 4.163 -6.135 193 HD2 HIS 24 HD2 HIS 24 4.788 1.163 -3.737 194 HE1 HIS 24 HE1 HIS 24 2.511 4.711 -3.749 195 H VAL 25 HN VAL 25 6.605 -0.512 -5.097 196 HA VAL 25 HA VAL 25 7.336 -2.065 -7.552 197 HB VAL 25 HB VAL 25 8.387 -2.468 -4.756 198 1HG1 VAL 25 1HG1 VAL 25 8.557 -4.286 -6.537 199 2HG1 VAL 25 2HG1 VAL 25 10.083 -3.779 -5.811 200 3HG1 VAL 25 3HG1 VAL 25 9.631 -3.194 -7.413 201 1HG2 VAL 25 1HG2 VAL 25 9.478 -0.498 -5.013 202 2HG2 VAL 25 2HG2 VAL 25 9.001 -0.372 -6.706 203 3HG2 VAL 25 3HG2 VAL 25 10.423 -1.313 -6.259 204 H VAL 26 HN VAL 26 6.255 -3.933 -7.839 205 HA VAL 26 HA VAL 26 4.522 -4.949 -5.614 206 HB VAL 26 HB VAL 26 3.058 -5.711 -7.459 207 1HG1 VAL 26 1HG1 VAL 26 3.006 -3.181 -8.540 208 2HG1 VAL 26 2HG1 VAL 26 3.821 -2.906 -7.003 209 3HG1 VAL 26 3HG1 VAL 26 2.219 -3.643 -7.033 210 1HG2 VAL 26 1HG2 VAL 26 3.589 -5.272 -9.757 211 2HG2 VAL 26 2HG2 VAL 26 5.021 -6.025 -9.055 212 3HG2 VAL 26 3HG2 VAL 26 4.978 -4.280 -9.313 213 H GLU 27 HN GLU 27 4.020 -7.394 -6.036 214 HA GLU 27 HA GLU 27 6.569 -8.820 -6.642 215 1HB GLU 27 2HB GLU 27 5.025 -8.813 -4.432 216 2HB GLU 27 1HB GLU 27 4.186 -10.051 -5.361 217 1HG GLU 27 2HG GLU 27 6.081 -11.455 -5.434 218 2HG GLU 27 1HG GLU 27 7.174 -10.144 -4.994 219 H LEU 28 HN LEU 28 6.570 -9.702 -8.655 220 HA LEU 28 HA LEU 28 4.110 -9.911 -10.191 221 1HB LEU 28 2HB LEU 28 6.774 -9.321 -10.502 222 2HB LEU 28 1HB LEU 28 6.669 -10.915 -11.218 223 HG LEU 28 HG LEU 28 6.291 -9.144 -12.899 224 1HD1 LEU 28 1HD1 LEU 28 3.539 -10.151 -12.612 225 2HD1 LEU 28 2HD1 LEU 28 4.788 -11.395 -12.577 226 3HD1 LEU 28 3HD1 LEU 28 4.662 -10.302 -13.956 227 1HD2 LEU 28 1HD2 LEU 28 4.614 -8.118 -10.742 228 2HD2 LEU 28 2HD2 LEU 28 3.757 -8.160 -12.284 229 3HD2 LEU 28 3HD2 LEU 28 5.276 -7.275 -12.144 230 HA PRO 29 HA PRO 29 3.620 -14.171 -8.901 231 1HB PRO 29 2HB PRO 29 1.561 -14.755 -10.633 232 2HB PRO 29 1HB PRO 29 1.355 -13.992 -9.050 233 1HG PRO 29 2HG PRO 29 1.322 -12.782 -11.746 234 2HG PRO 29 1HG PRO 29 0.447 -12.313 -10.283 235 1HD PRO 29 2HD PRO 29 2.638 -11.001 -11.252 236 2HD PRO 29 1HD PRO 29 2.140 -10.976 -9.551 237 H ASP 30 HN ASP 30 3.475 -16.326 -10.103 238 HA ASP 30 HA ASP 30 5.771 -16.642 -11.691 239 1HB ASP 30 2HB ASP 30 3.294 -18.330 -11.268 240 2HB ASP 30 1HB ASP 30 4.731 -18.930 -12.096 241 H HIS 31 HN HIS 31 2.362 -16.385 -12.737 242 HA HIS 31 HA HIS 31 3.165 -16.968 -15.497 243 1HB HIS 31 2HB HIS 31 0.763 -16.995 -15.893 244 2HB HIS 31 1HB HIS 31 1.097 -17.847 -14.391 245 HD1 HIS 31 HD1 HIS 31 1.585 -14.728 -13.119 246 HD2 HIS 31 HD2 HIS 31 -1.848 -16.529 -14.635 247 HE1 HIS 31 HE1 HIS 31 -0.375 -13.464 -12.137 248 H MET 32 HN MET 32 3.275 -14.209 -13.706 249 HA MET 32 HA MET 32 2.974 -12.553 -16.187 250 1HB MET 32 2HB MET 32 2.686 -11.855 -13.251 251 2HB MET 32 1HB MET 32 2.786 -10.638 -14.523 252 1HG MET 32 2HG MET 32 0.697 -12.830 -14.343 253 2HG MET 32 1HG MET 32 0.438 -11.126 -13.962 254 1HE MET 32 1HE MET 32 1.892 -9.420 -16.420 255 2HE MET 32 2HE MET 32 0.562 -9.326 -15.268 256 3HE MET 32 3HE MET 32 0.231 -9.218 -16.995 257 H LEU 33 HN LEU 33 5.086 -13.853 -13.796 258 HA LEU 33 HA LEU 33 7.226 -11.936 -13.847 259 1HB LEU 33 2HB LEU 33 6.855 -14.856 -13.264 260 2HB LEU 33 1HB LEU 33 8.498 -14.231 -13.403 261 HG LEU 33 HG LEU 33 6.430 -12.905 -11.630 262 1HD1 LEU 33 1HD1 LEU 33 6.721 -14.459 -10.014 263 2HD1 LEU 33 2HD1 LEU 33 8.464 -14.503 -10.272 264 3HD1 LEU 33 3HD1 LEU 33 7.400 -15.495 -11.269 265 1HD2 LEU 33 1HD2 LEU 33 8.678 -11.835 -12.441 266 2HD2 LEU 33 2HD2 LEU 33 9.426 -12.954 -11.301 267 3HD2 LEU 33 3HD2 LEU 33 8.270 -11.752 -10.726 268 H ASP 34 HN ASP 34 6.401 -14.705 -15.911 269 HA ASP 34 HA ASP 34 8.728 -14.534 -17.624 270 1HB ASP 34 2HB ASP 34 7.168 -16.490 -17.238 271 2HB ASP 34 1HB ASP 34 5.959 -15.630 -18.194 272 H GLY 35 HN GLY 35 9.077 -13.096 -19.284 273 1HA GLY 35 2HA GLY 35 8.345 -11.920 -21.268 274 2HA GLY 35 1HA GLY 35 6.721 -11.839 -20.588 275 H LEU 36 HN LEU 36 7.286 -10.786 -18.043 276 HA LEU 36 HA LEU 36 7.367 -8.005 -18.625 277 1HB LEU 36 2HB LEU 36 6.286 -9.016 -16.667 278 2HB LEU 36 1HB LEU 36 7.858 -9.523 -16.049 279 HG LEU 36 HG LEU 36 8.569 -7.142 -15.965 280 1HD1 LEU 36 1HD1 LEU 36 7.403 -5.711 -17.266 281 2HD1 LEU 36 2HD1 LEU 36 6.150 -5.757 -16.026 282 3HD1 LEU 36 3HD1 LEU 36 6.054 -6.839 -17.416 283 1HD2 LEU 36 1HD2 LEU 36 7.214 -6.531 -14.021 284 2HD2 LEU 36 2HD2 LEU 36 7.544 -8.263 -13.988 285 3HD2 LEU 36 3HD2 LEU 36 5.963 -7.676 -14.503 286 H GLU 37 HN GLU 37 8.987 -6.465 -18.403 287 HA GLU 37 HA GLU 37 11.639 -7.206 -17.352 288 1HB GLU 37 2HB GLU 37 12.793 -6.709 -19.427 289 2HB GLU 37 1HB GLU 37 11.530 -7.885 -19.794 290 1HG GLU 37 2HG GLU 37 10.042 -6.061 -20.536 291 2HG GLU 37 1HG GLU 37 11.305 -4.884 -20.175 292 H THR 38 HN THR 38 12.977 -5.217 -17.060 293 HA THR 38 HA THR 38 11.463 -2.982 -16.138 294 HB THR 38 HB THR 38 14.013 -2.056 -16.594 295 HG1 THR 38 HG1 THR 38 15.368 -3.721 -16.576 296 1HG2 THR 38 1HG2 THR 38 13.208 -1.890 -14.425 297 2HG2 THR 38 2HG2 THR 38 14.400 -3.177 -14.247 298 3HG2 THR 38 3HG2 THR 38 12.688 -3.573 -14.385 299 H GLY 39 HN GLY 39 11.147 -0.899 -17.099 300 1HA GLY 39 2HA GLY 39 11.055 0.683 -18.872 301 2HA GLY 39 1HA GLY 39 11.978 -0.428 -19.881 302 H ALA 40 HN ALA 40 9.763 -2.398 -18.596 303 HA ALA 40 HA ALA 40 8.058 -2.457 -20.960 304 1HB ALA 40 1HB ALA 40 8.525 -4.505 -19.839 305 2HB ALA 40 2HB ALA 40 6.857 -4.140 -19.394 306 3HB ALA 40 3HB ALA 40 8.166 -3.808 -18.258 307 H SER 41 HN SER 41 5.707 -1.989 -20.921 308 HA SER 41 HA SER 41 5.026 0.112 -18.903 309 1HB SER 41 2HB SER 41 3.020 0.157 -20.704 310 2HB SER 41 1HB SER 41 4.542 1.002 -20.969 311 HG SER 41 HG SER 41 4.985 -0.346 -22.513 312 H VAL 42 HN VAL 42 4.320 -1.086 -17.122 313 HA VAL 42 HA VAL 42 2.384 -3.290 -17.461 314 HB VAL 42 HB VAL 42 4.003 -2.031 -15.279 315 1HG1 VAL 42 1HG1 VAL 42 1.293 -3.177 -14.902 316 2HG1 VAL 42 2HG1 VAL 42 2.164 -1.982 -13.942 317 3HG1 VAL 42 3HG1 VAL 42 2.549 -3.694 -13.776 318 1HG2 VAL 42 1HG2 VAL 42 4.089 -4.567 -14.720 319 2HG2 VAL 42 2HG2 VAL 42 4.964 -3.986 -16.140 320 3HG2 VAL 42 3HG2 VAL 42 3.395 -4.774 -16.325 321 H ALA 43 HN ALA 43 0.205 -2.967 -17.351 322 HA ALA 43 HA ALA 43 -0.817 -0.289 -16.543 323 1HB ALA 43 1HB ALA 43 -2.979 -1.366 -17.426 324 2HB ALA 43 2HB ALA 43 -1.963 -2.700 -17.971 325 3HB ALA 43 3HB ALA 43 -1.712 -1.079 -18.618 326 H HIS 44 HN HIS 44 -1.372 -0.136 -14.409 327 HA HIS 44 HA HIS 44 -1.933 -2.578 -12.824 328 1HB HIS 44 2HB HIS 44 -1.384 0.335 -12.328 329 2HB HIS 44 1HB HIS 44 -2.181 -0.605 -11.068 330 HD1 HIS 44 HD1 HIS 44 0.430 -2.181 -13.318 331 HD2 HIS 44 HD2 HIS 44 0.112 -0.691 -9.425 332 HE1 HIS 44 HE1 HIS 44 2.530 -2.893 -12.092 333 HE2 HIS 44 HE2 HIS 44 2.345 -1.978 -9.747 334 H ASN 45 HN ASN 45 -3.979 -3.288 -13.150 335 HA ASN 45 HA ASN 45 -6.281 -3.318 -13.542 336 1HB ASN 45 2HB ASN 45 -5.893 -1.889 -11.299 337 2HB ASN 45 1HB ASN 45 -6.613 -0.632 -12.311 338 1HD2 ASN 45 1HD2 ASN 45 -7.282 -3.538 -10.526 339 2HD2 ASN 45 2HD2 ASN 45 -8.908 -3.689 -10.958 340 H GLY 46 HN GLY 46 -4.250 -1.572 -15.246 341 1HA GLY 46 2HA GLY 46 -5.028 -1.145 -17.542 342 2HA GLY 46 1HA GLY 46 -6.453 -0.373 -16.856 343 H CYS 47 HN CYS 47 -3.948 0.668 -14.938 344 HA CYS 47 HA CYS 47 -3.649 3.172 -16.528 345 1HB CYS 47 2HB CYS 47 -4.265 3.120 -14.044 346 2HB CYS 47 1HB CYS 47 -2.633 2.528 -13.741 347 HG CYS 47 HG CYS 47 -2.909 5.262 -13.692 348 H CYS 48 HN CYS 48 -2.024 2.890 -18.038 349 HA CYS 48 HA CYS 48 0.068 0.954 -17.693 350 1HB CYS 48 2HB CYS 48 0.787 1.806 -19.873 351 2HB CYS 48 1HB CYS 48 -0.971 1.677 -19.835 352 HG CYS 48 HG CYS 48 0.146 4.452 -19.079 353 H LEU 49 HN LEU 49 2.037 1.182 -16.781 354 HA LEU 49 HA LEU 49 3.364 3.825 -16.755 355 1HB LEU 49 2HB LEU 49 3.955 3.290 -14.281 356 2HB LEU 49 1HB LEU 49 2.332 3.885 -14.625 357 HG LEU 49 HG LEU 49 2.556 0.968 -14.849 358 1HD1 LEU 49 1HD1 LEU 49 2.414 1.191 -12.100 359 2HD1 LEU 49 2HD1 LEU 49 3.659 2.376 -12.515 360 3HD1 LEU 49 3HD1 LEU 49 3.846 0.689 -13.001 361 1HD2 LEU 49 1HD2 LEU 49 0.399 1.068 -14.007 362 2HD2 LEU 49 2HD2 LEU 49 0.533 2.722 -14.609 363 3HD2 LEU 49 3HD2 LEU 49 0.787 2.385 -12.898 364 H THR 50 HN THR 50 5.728 3.562 -16.314 365 HA THR 50 HA THR 50 6.614 1.037 -17.580 366 HB THR 50 HB THR 50 8.176 3.573 -17.035 367 HG1 THR 50 HG1 THR 50 6.926 3.095 -19.476 368 1HG2 THR 50 1HG2 THR 50 9.215 1.319 -17.883 369 2HG2 THR 50 2HG2 THR 50 9.642 2.823 -18.700 370 3HG2 THR 50 3HG2 THR 50 8.439 1.745 -19.409 371 H VAL 51 HN VAL 51 8.332 -0.218 -16.776 372 HA VAL 51 HA VAL 51 8.567 -0.337 -13.865 373 HB VAL 51 HB VAL 51 10.009 -1.833 -16.076 374 1HG1 VAL 51 1HG1 VAL 51 9.687 -3.606 -14.080 375 2HG1 VAL 51 2HG1 VAL 51 9.808 -2.120 -13.134 376 3HG1 VAL 51 3HG1 VAL 51 11.112 -2.579 -14.228 377 1HG2 VAL 51 1HG2 VAL 51 8.196 -3.508 -15.781 378 2HG2 VAL 51 2HG2 VAL 51 7.621 -1.970 -16.422 379 3HG2 VAL 51 3HG2 VAL 51 7.360 -2.369 -14.723 380 H THR 52 HN THR 52 9.975 1.039 -12.820 381 HA THR 52 HA THR 52 12.280 2.290 -14.067 382 HB THR 52 HB THR 52 12.637 3.140 -11.827 383 HG1 THR 52 HG1 THR 52 11.128 2.134 -10.189 384 1HG2 THR 52 1HG2 THR 52 10.209 3.341 -13.182 385 2HG2 THR 52 2HG2 THR 52 10.767 4.394 -11.882 386 3HG2 THR 52 3HG2 THR 52 9.746 3.002 -11.514 387 H GLU 53 HN GLU 53 11.770 -0.507 -11.913 388 HA GLU 53 HA GLU 53 14.277 -1.721 -12.872 389 1HB GLU 53 2HB GLU 53 14.958 -0.044 -11.142 390 2HB GLU 53 1HB GLU 53 13.961 -0.903 -9.967 391 1HG GLU 53 2HG GLU 53 15.291 -2.950 -10.329 392 2HG GLU 53 1HG GLU 53 16.291 -2.091 -11.501 393 H ILE 54 HN ILE 54 14.424 -3.967 -12.210 394 HA ILE 54 HA ILE 54 11.889 -5.083 -11.047 395 HB ILE 54 HB ILE 54 14.136 -6.180 -12.768 396 1HG1 ILE 54 2HG1 ILE 54 11.297 -6.589 -13.453 397 2HG1 ILE 54 1HG1 ILE 54 11.801 -4.901 -13.426 398 1HG2 ILE 54 1HG2 ILE 54 12.826 -8.340 -12.683 399 2HG2 ILE 54 2HG2 ILE 54 11.901 -7.655 -11.348 400 3HG2 ILE 54 3HG2 ILE 54 13.634 -7.924 -11.172 401 1HD1 ILE 54 1HD1 ILE 54 12.112 -6.459 -15.601 402 2HD1 ILE 54 2HD1 ILE 54 13.628 -6.825 -14.779 403 3HD1 ILE 54 3HD1 ILE 54 13.239 -5.159 -15.209 404 H ASN 55 HN ASN 55 11.985 -5.989 -9.058 405 HA ASN 55 HA ASN 55 14.645 -6.194 -7.714 406 1HB ASN 55 2HB ASN 55 11.811 -5.663 -6.913 407 2HB ASN 55 1HB ASN 55 12.872 -6.418 -5.723 408 1HD2 ASN 55 1HD2 ASN 55 12.992 -3.679 -8.082 409 2HD2 ASN 55 2HD2 ASN 55 13.834 -2.633 -7.043 410 H GLY 56 HN GLY 56 14.635 -8.282 -9.230 411 1HA GLY 56 2HA GLY 56 14.686 -10.655 -9.171 412 2HA GLY 56 1HA GLY 56 13.952 -10.600 -7.564 413 H ASN 57 HN ASN 57 11.896 -11.382 -7.521 414 HA ASN 57 HA ASN 57 10.304 -11.618 -9.968 415 1HB ASN 57 2HB ASN 57 9.171 -13.113 -8.684 416 2HB ASN 57 1HB ASN 57 10.432 -12.853 -7.502 417 1HD2 ASN 57 1HD2 ASN 57 7.406 -11.329 -8.560 418 2HD2 ASN 57 2HD2 ASN 57 6.877 -10.876 -7.015 419 H HIS 58 HN HIS 58 10.810 -9.279 -7.453 420 HA HIS 58 HA HIS 58 8.262 -7.919 -7.618 421 1HB HIS 58 2HB HIS 58 11.029 -7.327 -6.595 422 2HB HIS 58 1HB HIS 58 9.797 -6.069 -6.583 423 HD1 HIS 58 HD1 HIS 58 11.141 -8.230 -4.263 424 HD2 HIS 58 HD2 HIS 58 7.198 -7.594 -5.460 425 HE1 HIS 58 HE1 HIS 58 9.671 -9.057 -2.376 426 H VAL 59 HN VAL 59 7.959 -5.757 -8.546 427 HA VAL 59 HA VAL 59 10.019 -4.906 -10.496 428 HB VAL 59 HB VAL 59 7.110 -5.489 -11.075 429 1HG1 VAL 59 1HG1 VAL 59 7.183 -3.633 -12.382 430 2HG1 VAL 59 2HG1 VAL 59 8.229 -4.597 -13.427 431 3HG1 VAL 59 3HG1 VAL 59 8.937 -3.503 -12.238 432 1HG2 VAL 59 1HG2 VAL 59 9.688 -6.747 -11.570 433 2HG2 VAL 59 2HG2 VAL 59 8.841 -6.417 -13.084 434 3HG2 VAL 59 3HG2 VAL 59 8.067 -7.395 -11.835 435 H SER 60 HN SER 60 10.417 -2.800 -10.131 436 HA SER 60 HA SER 60 8.518 -1.138 -8.582 437 1HB SER 60 2HB SER 60 10.465 0.208 -8.183 438 2HB SER 60 1HB SER 60 11.005 -1.466 -8.086 439 HG SER 60 HG SER 60 12.144 0.232 -9.503 440 H PHE 61 HN PHE 61 7.222 0.331 -9.701 441 HA PHE 61 HA PHE 61 8.135 1.143 -12.443 442 1HB PHE 61 2HB PHE 61 5.539 1.502 -12.665 443 2HB PHE 61 1HB PHE 61 6.185 -0.135 -12.740 444 HD1 PHE 61 HD1 PHE 61 5.981 -1.667 -10.837 445 HD2 PHE 61 HD2 PHE 61 4.260 2.270 -10.730 446 HE1 PHE 61 HE1 PHE 61 4.628 -2.315 -8.865 447 HE2 PHE 61 HE2 PHE 61 2.900 1.620 -8.756 448 HZ PHE 61 HZ PHE 61 3.085 -0.673 -7.823 449 H ASP 62 HN ASP 62 7.655 3.360 -13.051 450 HA ASP 62 HA ASP 62 8.025 5.166 -10.766 451 1HB ASP 62 2HB ASP 62 8.571 6.774 -12.531 452 2HB ASP 62 1HB ASP 62 9.343 5.233 -12.897 453 H LEU 63 HN LEU 63 6.786 6.998 -10.328 454 HA LEU 63 HA LEU 63 4.132 7.332 -11.585 455 1HB LEU 63 2HB LEU 63 4.697 5.676 -9.310 456 2HB LEU 63 1HB LEU 63 3.752 7.054 -8.770 457 HG LEU 63 HG LEU 63 2.617 6.170 -11.226 458 1HD1 LEU 63 1HD1 LEU 63 3.191 3.971 -11.219 459 2HD1 LEU 63 2HD1 LEU 63 2.010 3.825 -9.916 460 3HD1 LEU 63 3HD1 LEU 63 3.726 4.021 -9.537 461 1HD2 LEU 63 1HD2 LEU 63 1.316 5.390 -8.674 462 2HD2 LEU 63 2HD2 LEU 63 0.678 6.362 -10.000 463 3HD2 LEU 63 3HD2 LEU 63 1.751 7.092 -8.807 464 H MET 64 HN MET 64 4.147 9.572 -11.782 465 HA MET 64 HA MET 64 5.752 11.265 -10.058 466 1HB MET 64 2HB MET 64 5.084 11.660 -12.470 467 2HB MET 64 1HB MET 64 3.459 12.021 -11.894 468 1HG MET 64 2HG MET 64 4.354 13.832 -10.480 469 2HG MET 64 1HG MET 64 5.982 13.475 -11.057 470 1HE MET 64 1HE MET 64 5.525 13.264 -14.606 471 2HE MET 64 2HE MET 64 6.592 13.182 -13.206 472 3HE MET 64 3HE MET 64 6.563 14.638 -14.199 473 H LYS 65 HN LYS 65 5.071 12.508 -8.288 474 HA LYS 65 HA LYS 65 3.024 11.503 -6.638 475 1HB LYS 65 2HB LYS 65 4.971 12.834 -5.916 476 2HB LYS 65 1HB LYS 65 4.308 14.253 -6.727 477 1HG LYS 65 2HG LYS 65 2.321 14.166 -5.266 478 2HG LYS 65 1HG LYS 65 2.984 12.749 -4.450 479 1HD LYS 65 2HD LYS 65 4.898 14.033 -3.668 480 2HD LYS 65 1HD LYS 65 4.366 15.443 -4.586 481 1HE LYS 65 2HE LYS 65 2.155 15.216 -3.205 482 2HE LYS 65 1HE LYS 65 3.154 14.252 -2.097 483 1HZ LYS 65 1HZ LYS 65 4.830 16.110 -2.283 484 2HZ LYS 65 2HZ LYS 65 3.421 16.474 -1.407 485 3HZ LYS 65 3HZ LYS 65 3.605 17.039 -2.999 486 H GLU 66 HN GLU 66 2.984 14.517 -8.595 487 HA GLU 66 HA GLU 66 0.247 15.171 -7.983 488 1HB GLU 66 2HB GLU 66 1.941 16.753 -8.848 489 2HB GLU 66 1HB GLU 66 2.015 15.851 -10.362 490 1HG GLU 66 2HG GLU 66 -0.374 16.326 -10.767 491 2HG GLU 66 1HG GLU 66 -0.447 17.233 -9.254 492 H THR 67 HN THR 67 1.759 13.321 -10.637 493 HA THR 67 HA THR 67 -0.654 12.765 -12.111 494 HB THR 67 HB THR 67 1.868 11.126 -11.688 495 HG1 THR 67 HG1 THR 67 1.387 12.635 -13.972 496 1HG2 THR 67 1HG2 THR 67 0.240 9.708 -12.683 497 2HG2 THR 67 2HG2 THR 67 1.223 10.298 -14.022 498 3HG2 THR 67 3HG2 THR 67 -0.364 11.003 -13.717 499 H LEU 68 HN LEU 68 0.942 11.186 -9.365 500 HA LEU 68 HA LEU 68 -0.724 8.903 -9.108 501 1HB LEU 68 2HB LEU 68 1.453 9.317 -7.999 502 2HB LEU 68 1HB LEU 68 0.727 10.622 -7.063 503 HG LEU 68 HG LEU 68 -0.963 8.850 -6.248 504 1HD1 LEU 68 1HD1 LEU 68 -0.117 7.229 -8.078 505 2HD1 LEU 68 2HD1 LEU 68 -0.373 6.561 -6.468 506 3HD1 LEU 68 3HD1 LEU 68 1.258 6.950 -7.009 507 1HD2 LEU 68 1HD2 LEU 68 1.455 7.895 -5.046 508 2HD2 LEU 68 2HD2 LEU 68 0.306 9.069 -4.402 509 3HD2 LEU 68 3HD2 LEU 68 1.653 9.611 -5.406 510 H ARG 69 HN ARG 69 -0.966 12.181 -7.754 511 HA ARG 69 HA ARG 69 -3.426 11.792 -6.296 512 1HB ARG 69 2HB ARG 69 -1.948 14.174 -7.453 513 2HB ARG 69 1HB ARG 69 -3.373 14.340 -6.431 514 1HG ARG 69 2HG ARG 69 -1.019 12.688 -5.533 515 2HG ARG 69 1HG ARG 69 -1.039 14.436 -5.296 516 1HD ARG 69 2HD ARG 69 -3.068 14.301 -3.970 517 2HD ARG 69 1HD ARG 69 -3.237 12.571 -4.333 518 HE ARG 69 HE ARG 69 -0.633 13.178 -3.208 519 1HH1 ARG 69 1HH1 ARG 69 -3.973 12.633 -2.503 520 2HH1 ARG 69 2HH1 ARG 69 -3.670 12.058 -0.898 521 1HH2 ARG 69 1HH2 ARG 69 -0.232 12.430 -1.119 522 2HH2 ARG 69 2HH2 ARG 69 -1.556 11.943 -0.116 523 H ILE 70 HN ILE 70 -2.657 12.952 -9.571 524 HA ILE 70 HA ILE 70 -5.296 13.772 -10.279 525 HB ILE 70 HB ILE 70 -2.725 13.920 -11.235 526 1HG1 ILE 70 2HG1 ILE 70 -5.188 14.497 -12.888 527 2HG1 ILE 70 1HG1 ILE 70 -4.681 15.488 -11.520 528 1HG2 ILE 70 1HG2 ILE 70 -4.285 12.090 -13.061 529 2HG2 ILE 70 2HG2 ILE 70 -2.673 11.841 -12.396 530 3HG2 ILE 70 3HG2 ILE 70 -2.935 13.071 -13.629 531 1HD1 ILE 70 1HD1 ILE 70 -2.377 15.107 -13.120 532 2HD1 ILE 70 2HD1 ILE 70 -3.287 16.600 -12.891 533 3HD1 ILE 70 3HD1 ILE 70 -3.688 15.518 -14.225 534 H THR 71 HN THR 71 -3.497 10.771 -10.701 535 HA THR 71 HA THR 71 -5.724 9.409 -12.040 536 HB THR 71 HB THR 71 -4.142 7.515 -12.000 537 HG1 THR 71 HG1 THR 71 -2.278 9.137 -10.683 538 1HG2 THR 71 1HG2 THR 71 -2.524 9.991 -12.574 539 2HG2 THR 71 2HG2 THR 71 -3.865 9.499 -13.609 540 3HG2 THR 71 3HG2 THR 71 -2.475 8.430 -13.396 541 H ASN 72 HN ASN 72 -5.876 7.011 -10.924 542 HA ASN 72 HA ASN 72 -6.557 7.439 -8.049 543 1HB ASN 72 2HB ASN 72 -8.452 6.665 -9.224 544 2HB ASN 72 1HB ASN 72 -7.494 5.622 -10.264 545 1HD2 ASN 72 1HD2 ASN 72 -8.654 3.668 -9.732 546 2HD2 ASN 72 2HD2 ASN 72 -8.591 2.971 -8.187 547 H LEU 73 HN LEU 73 -3.850 6.935 -9.500 548 HA LEU 73 HA LEU 73 -2.994 4.279 -8.669 549 1HB LEU 73 2HB LEU 73 -1.602 6.876 -9.389 550 2HB LEU 73 1HB LEU 73 -0.725 5.388 -9.040 551 HG LEU 73 HG LEU 73 -2.856 5.632 -11.201 552 1HD1 LEU 73 1HD1 LEU 73 -1.077 5.805 -12.790 553 2HD1 LEU 73 2HD1 LEU 73 0.145 5.480 -11.563 554 3HD1 LEU 73 3HD1 LEU 73 -0.736 7.007 -11.547 555 1HD2 LEU 73 1HD2 LEU 73 -0.731 3.525 -11.105 556 2HD2 LEU 73 2HD2 LEU 73 -2.377 3.427 -11.726 557 3HD2 LEU 73 3HD2 LEU 73 -2.086 3.368 -9.990 558 H GLY 74 HN GLY 74 -2.875 7.545 -7.230 559 1HA GLY 74 2HA GLY 74 -1.300 7.171 -4.998 560 2HA GLY 74 1HA GLY 74 -2.758 8.150 -4.969 561 H ASP 75 HN ASP 75 -4.373 5.649 -5.648 562 HA ASP 75 HA ASP 75 -5.123 5.068 -2.944 563 1HB ASP 75 2HB ASP 75 -6.751 3.634 -4.004 564 2HB ASP 75 1HB ASP 75 -6.524 5.031 -5.055 565 H LEU 76 HN LEU 76 -2.766 3.622 -5.044 566 HA LEU 76 HA LEU 76 -2.772 0.938 -4.144 567 1HB LEU 76 2HB LEU 76 -0.502 2.736 -5.009 568 2HB LEU 76 1HB LEU 76 -0.412 0.981 -4.936 569 HG LEU 76 HG LEU 76 -2.398 2.540 -6.611 570 1HD1 LEU 76 1HD1 LEU 76 -0.747 2.690 -8.135 571 2HD1 LEU 76 2HD1 LEU 76 -0.686 0.927 -8.187 572 3HD1 LEU 76 3HD1 LEU 76 0.355 1.813 -7.073 573 1HD2 LEU 76 1HD2 LEU 76 -1.986 -0.216 -7.348 574 2HD2 LEU 76 2HD2 LEU 76 -3.480 0.575 -6.843 575 3HD2 LEU 76 3HD2 LEU 76 -2.401 -0.126 -5.634 576 H LYS 77 HN LYS 77 -1.898 -0.076 -2.413 577 HA LYS 77 HA LYS 77 -0.184 1.436 -0.506 578 1HB LYS 77 2HB LYS 77 -2.783 0.009 0.153 579 2HB LYS 77 1HB LYS 77 -1.668 0.662 1.355 580 1HG LYS 77 2HG LYS 77 -1.941 2.916 0.390 581 2HG LYS 77 1HG LYS 77 -3.058 2.267 -0.810 582 1HD LYS 77 2HD LYS 77 -4.577 1.536 0.991 583 2HD LYS 77 1HD LYS 77 -3.463 2.188 2.195 584 1HE LYS 77 2HE LYS 77 -3.712 4.449 1.043 585 2HE LYS 77 1HE LYS 77 -5.044 3.732 0.117 586 1HZ LYS 77 1HZ LYS 77 -5.315 2.999 2.822 587 2HZ LYS 77 2HZ LYS 77 -6.363 3.942 1.874 588 3HZ LYS 77 3HZ LYS 77 -5.109 4.681 2.748 589 H VAL 78 HN VAL 78 1.366 0.094 0.416 590 HA VAL 78 HA VAL 78 1.945 -2.391 -0.799 591 HB VAL 78 HB VAL 78 2.784 -1.451 1.958 592 1HG1 VAL 78 1HG1 VAL 78 4.768 -2.650 0.168 593 2HG1 VAL 78 2HG1 VAL 78 3.420 -3.747 0.517 594 3HG1 VAL 78 3HG1 VAL 78 4.369 -3.062 1.839 595 1HG2 VAL 78 1HG2 VAL 78 3.758 0.320 0.980 596 2HG2 VAL 78 2HG2 VAL 78 3.018 -0.141 -0.553 597 3HG2 VAL 78 3HG2 VAL 78 4.615 -0.753 -0.127 598 H GLY 79 HN GLY 79 1.787 -4.533 0.001 599 1HA GLY 79 2HA GLY 79 0.925 -6.269 1.400 600 2HA GLY 79 1HA GLY 79 0.056 -5.050 2.336 601 H ASP 80 HN ASP 80 -0.670 -3.928 -0.511 602 HA ASP 80 HA ASP 80 -3.137 -5.576 -0.817 603 1HB ASP 80 2HB ASP 80 -3.071 -3.030 -0.571 604 2HB ASP 80 1HB ASP 80 -2.335 -2.986 -2.170 605 H TRP 81 HN TRP 81 -3.777 -6.027 -3.154 606 HA TRP 81 HA TRP 81 -1.343 -6.513 -4.841 607 1HB TRP 81 2HB TRP 81 -3.935 -8.038 -4.516 608 2HB TRP 81 1HB TRP 81 -2.831 -8.334 -5.852 609 HD1 TRP 81 HD1 TRP 81 -2.186 -7.793 -2.066 610 HE1 TRP 81 HE1 TRP 81 -0.664 -9.696 -1.243 611 HE3 TRP 81 HE3 TRP 81 -1.733 -10.489 -6.381 612 HZ2 TRP 81 HZ2 TRP 81 0.579 -12.060 -2.270 613 HZ3 TRP 81 HZ3 TRP 81 -0.374 -12.563 -6.432 614 HH2 TRP 81 HH2 TRP 81 0.780 -13.351 -4.381 615 H VAL 82 HN VAL 82 -1.864 -6.437 -7.226 616 HA VAL 82 HA VAL 82 -4.002 -4.444 -7.854 617 HB VAL 82 HB VAL 82 -1.989 -3.200 -7.866 618 1HG1 VAL 82 1HG1 VAL 82 -0.309 -4.783 -7.461 619 2HG1 VAL 82 2HG1 VAL 82 0.067 -4.225 -9.093 620 3HG1 VAL 82 3HG1 VAL 82 -0.773 -5.759 -8.856 621 1HG2 VAL 82 1HG2 VAL 82 -1.726 -4.213 -10.670 622 2HG2 VAL 82 2HG2 VAL 82 -1.713 -2.549 -10.078 623 3HG2 VAL 82 3HG2 VAL 82 -3.236 -3.427 -10.199 624 H ASN 83 HN ASN 83 -4.719 -4.534 -10.079 625 HA ASN 83 HA ASN 83 -4.530 -7.157 -11.419 626 1HB ASN 83 2HB ASN 83 -6.184 -4.740 -11.438 627 2HB ASN 83 1HB ASN 83 -5.787 -5.253 -13.067 628 1HD2 ASN 83 1HD2 ASN 83 -5.687 -8.141 -12.455 629 2HD2 ASN 83 2HD2 ASN 83 -7.281 -8.623 -12.149 630 H VAL 84 HN VAL 84 -2.507 -7.419 -12.369 631 HA VAL 84 HA VAL 84 -1.307 -5.030 -13.696 632 HB VAL 84 HB VAL 84 0.739 -6.757 -13.611 633 1HG1 VAL 84 1HG1 VAL 84 1.450 -5.601 -11.630 634 2HG1 VAL 84 2HG1 VAL 84 -0.217 -5.294 -11.136 635 3HG1 VAL 84 3HG1 VAL 84 0.450 -4.479 -12.554 636 1HG2 VAL 84 1HG2 VAL 84 -0.651 -8.584 -12.638 637 2HG2 VAL 84 2HG2 VAL 84 -0.978 -7.560 -11.240 638 3HG2 VAL 84 3HG2 VAL 84 0.667 -8.104 -11.570 639 H GLU 85 HN GLU 85 -0.830 -5.022 -15.810 640 HA GLU 85 HA GLU 85 -1.079 -7.557 -17.389 641 1HB GLU 85 2HB GLU 85 -3.251 -6.353 -17.338 642 2HB GLU 85 1HB GLU 85 -2.454 -4.913 -17.973 643 1HG GLU 85 2HG GLU 85 -1.846 -6.101 -20.015 644 2HG GLU 85 1HG GLU 85 -2.524 -7.599 -19.378 645 H ARG 86 HN ARG 86 0.250 -7.560 -19.270 646 HA ARG 86 HA ARG 86 2.470 -5.658 -19.196 647 1HB ARG 86 2HB ARG 86 2.800 -8.051 -19.560 648 2HB ARG 86 1HB ARG 86 1.764 -8.002 -20.987 649 1HG ARG 86 2HG ARG 86 3.340 -6.452 -22.084 650 2HG ARG 86 1HG ARG 86 4.377 -6.496 -20.659 651 1HD ARG 86 2HD ARG 86 5.192 -8.063 -22.408 652 2HD ARG 86 1HD ARG 86 4.666 -8.951 -20.964 653 HE ARG 86 HE ARG 86 2.516 -8.517 -22.895 654 1HH1 ARG 86 1HH1 ARG 86 5.172 -10.501 -21.913 655 2HH1 ARG 86 2HH1 ARG 86 4.547 -11.929 -22.666 656 1HH2 ARG 86 1HH2 ARG 86 1.696 -10.375 -23.879 657 2HH2 ARG 86 2HH2 ARG 86 2.584 -11.859 -23.776 658 H ALA 87 HN ALA 87 2.680 -3.869 -20.468 659 HA ALA 87 HA ALA 87 0.975 -3.649 -22.922 660 1HB ALA 87 1HB ALA 87 2.113 -1.268 -21.510 661 2HB ALA 87 2HB ALA 87 0.736 -2.091 -20.776 662 3HB ALA 87 3HB ALA 87 0.601 -1.419 -22.403 663 H ALA 88 HN ALA 88 2.033 -2.930 -24.793 664 HA ALA 88 HA ALA 88 5.027 -2.762 -24.620 665 1HB ALA 88 1HB ALA 88 3.338 -3.878 -26.874 666 2HB ALA 88 2HB ALA 88 3.936 -4.869 -25.543 667 3HB ALA 88 3HB ALA 88 5.073 -4.079 -26.635 668 H LYS 89 HN LYS 89 5.984 -1.087 -25.726 669 HA LYS 89 HA LYS 89 4.519 1.207 -26.561 670 1HB LYS 89 2HB LYS 89 7.299 0.176 -27.215 671 2HB LYS 89 1HB LYS 89 6.761 1.833 -27.501 672 1HG LYS 89 2HG LYS 89 6.783 2.373 -25.273 673 2HG LYS 89 1HG LYS 89 6.304 0.751 -24.769 674 1HD LYS 89 2HD LYS 89 8.517 -0.099 -25.062 675 2HD LYS 89 1HD LYS 89 9.037 1.356 -25.914 676 1HE LYS 89 2HE LYS 89 7.945 1.794 -23.182 677 2HE LYS 89 1HE LYS 89 9.515 0.971 -23.273 678 1HZ LYS 89 1HZ LYS 89 9.351 3.090 -25.170 679 2HZ LYS 89 2HZ LYS 89 10.498 2.833 -23.945 680 3HZ LYS 89 3HZ LYS 89 9.060 3.670 -23.603 681 H PHE 90 HN PHE 90 5.874 -1.517 -28.421 682 HA PHE 90 HA PHE 90 4.047 -0.800 -30.664 683 1HB PHE 90 2HB PHE 90 5.948 -1.067 -32.235 684 2HB PHE 90 1HB PHE 90 6.244 0.235 -31.085 685 HD1 PHE 90 HD1 PHE 90 7.161 -3.191 -32.083 686 HD2 PHE 90 HD2 PHE 90 7.884 -0.006 -29.286 687 HE1 PHE 90 HE1 PHE 90 9.231 -4.328 -31.321 688 HE2 PHE 90 HE2 PHE 90 9.954 -1.144 -28.525 689 HZ PHE 90 HZ PHE 90 10.628 -3.305 -29.543 690 H SER 91 HN SER 91 3.608 -2.638 -32.059 691 HA SER 91 HA SER 91 4.514 -5.280 -30.961 692 1HB SER 91 2HB SER 91 1.788 -4.346 -31.901 693 2HB SER 91 1HB SER 91 2.183 -6.044 -31.642 694 HG SER 91 HG SER 91 1.967 -3.934 -29.803 695 H ASP 92 HN ASP 92 5.449 -6.551 -32.519 696 HA ASP 92 HA ASP 92 5.863 -5.636 -35.199 697 1HB ASP 92 2HB ASP 92 7.341 -7.164 -33.946 698 2HB ASP 92 1HB ASP 92 6.074 -8.393 -33.943 699 H GLU 93 HN GLU 93 3.703 -8.149 -33.874 700 HA GLU 93 HA GLU 93 2.646 -8.665 -36.570 701 1HB GLU 93 2HB GLU 93 2.210 -9.933 -33.850 702 2HB GLU 93 1HB GLU 93 1.558 -10.573 -35.360 703 1HG GLU 93 2HG GLU 93 3.845 -10.789 -36.262 704 2HG GLU 93 1HG GLU 93 4.500 -10.155 -34.752 705 H ILE 94 HN ILE 94 1.887 -6.153 -35.678 706 HA ILE 94 HA ILE 94 -0.807 -6.037 -34.625 707 HB ILE 94 HB ILE 94 0.826 -4.304 -36.499 708 1HG1 ILE 94 2HG1 ILE 94 1.515 -4.578 -34.074 709 2HG1 ILE 94 1HG1 ILE 94 1.146 -2.919 -34.548 710 1HG2 ILE 94 1HG2 ILE 94 -1.843 -3.682 -35.194 711 2HG2 ILE 94 2HG2 ILE 94 -1.605 -4.004 -36.913 712 3HG2 ILE 94 3HG2 ILE 94 -0.883 -2.574 -36.175 713 1HD1 ILE 94 1HD1 ILE 94 -1.048 -3.044 -33.547 714 2HD1 ILE 94 2HD1 ILE 94 0.113 -3.619 -32.352 715 3HD1 ILE 94 3HD1 ILE 94 -0.869 -4.773 -33.252 716 H GLY 95 HN GLY 95 0.537 -6.418 -37.908 717 1HA GLY 95 2HA GLY 95 -0.696 -7.942 -39.441 718 2HA GLY 95 1HA GLY 95 -2.191 -7.272 -38.789 719 H GLY 96 HN GLY 96 -3.026 -5.426 -39.722 720 1HA GLY 96 2HA GLY 96 -3.106 -3.521 -41.137 721 2HA GLY 96 1HA GLY 96 -1.379 -3.710 -41.441 722 H HIS 97 HN HIS 97 -2.573 -3.187 -43.691 723 HA HIS 97 HA HIS 97 -2.300 -5.583 -45.288 724 1HB HIS 97 2HB HIS 97 -4.943 -4.767 -44.229 725 2HB HIS 97 1HB HIS 97 -4.915 -5.137 -45.954 726 HD1 HIS 97 HD1 HIS 97 -5.973 -6.879 -43.293 727 HD2 HIS 97 HD2 HIS 97 -2.799 -7.682 -45.874 728 HE1 HIS 97 HE1 HIS 97 -5.522 -9.366 -43.123 729 1H MET 1 1HT MET 1 -0.571 -0.925 -28.678 730 2H MET 1 2HT MET 1 -1.390 -0.432 -30.083 731 3H MET 1 3HT MET 1 -2.237 -1.205 -28.830 732 HA MET 1 HA MET 1 -0.838 1.357 -28.347 733 1HB MET 1 2HB MET 1 -2.337 1.415 -30.389 734 2HB MET 1 1HB MET 1 -3.680 0.971 -29.334 735 1HG MET 1 2HG MET 1 -3.289 2.982 -27.969 736 2HG MET 1 1HG MET 1 -1.931 3.426 -29.003 737 1HE MET 1 1HE MET 1 -3.117 2.950 -32.183 738 2HE MET 1 2HE MET 1 -1.894 3.756 -31.205 739 3HE MET 1 3HE MET 1 -3.076 4.715 -32.091 740 H PHE 2 HN PHE 2 -1.627 2.298 -26.376 741 HA PHE 2 HA PHE 2 -3.887 1.360 -24.927 742 1HB PHE 2 2HB PHE 2 -2.811 -0.026 -23.264 743 2HB PHE 2 1HB PHE 2 -2.358 -0.659 -24.840 744 HD1 PHE 2 HD1 PHE 2 -0.094 -1.038 -25.298 745 HD2 PHE 2 HD2 PHE 2 -1.172 1.790 -22.242 746 HE1 PHE 2 HE1 PHE 2 2.299 -0.755 -24.708 747 HE2 PHE 2 HE2 PHE 2 1.223 2.076 -21.665 748 HZ PHE 2 HZ PHE 2 2.958 0.802 -22.896 749 H THR 3 HN THR 3 -4.286 2.885 -23.310 750 HA THR 3 HA THR 3 -2.064 4.835 -22.809 751 HB THR 3 HB THR 3 -3.726 6.561 -23.083 752 HG1 THR 3 HG1 THR 3 -5.906 6.029 -23.264 753 1HG2 THR 3 1HG2 THR 3 -4.896 5.059 -25.239 754 2HG2 THR 3 2HG2 THR 3 -3.194 4.611 -25.097 755 3HG2 THR 3 3HG2 THR 3 -3.649 6.302 -25.318 756 H GLY 4 HN GLY 4 -4.972 3.283 -21.481 757 1HA GLY 4 2HA GLY 4 -5.698 3.064 -19.260 758 2HA GLY 4 1HA GLY 4 -3.999 3.217 -18.803 759 H ILE 5 HN ILE 5 -5.261 5.787 -20.701 760 HA ILE 5 HA ILE 5 -4.885 7.629 -18.424 761 HB ILE 5 HB ILE 5 -5.685 8.192 -21.299 762 1HG1 ILE 5 2HG1 ILE 5 -2.925 7.858 -20.098 763 2HG1 ILE 5 1HG1 ILE 5 -3.683 6.755 -21.236 764 1HG2 ILE 5 1HG2 ILE 5 -5.078 10.371 -20.890 765 2HG2 ILE 5 2HG2 ILE 5 -3.854 9.919 -19.700 766 3HG2 ILE 5 3HG2 ILE 5 -5.566 9.933 -19.252 767 1HD1 ILE 5 1HD1 ILE 5 -2.580 8.015 -22.792 768 2HD1 ILE 5 2HD1 ILE 5 -2.455 9.408 -21.718 769 3HD1 ILE 5 3HD1 ILE 5 -3.959 9.095 -22.585 770 H VAL 6 HN VAL 6 -6.612 8.037 -17.108 771 HA VAL 6 HA VAL 6 -9.312 7.324 -17.970 772 HB VAL 6 HB VAL 6 -7.910 8.155 -15.445 773 1HG1 VAL 6 1HG1 VAL 6 -9.908 9.403 -15.141 774 2HG1 VAL 6 2HG1 VAL 6 -10.237 7.863 -14.347 775 3HG1 VAL 6 3HG1 VAL 6 -10.888 8.183 -15.953 776 1HG2 VAL 6 1HG2 VAL 6 -9.759 5.959 -15.277 777 2HG2 VAL 6 2HG2 VAL 6 -8.004 5.934 -15.101 778 3HG2 VAL 6 3HG2 VAL 6 -8.733 5.751 -16.696 779 H GLN 7 HN GLN 7 -11.044 8.711 -18.252 780 HA GLN 7 HA GLN 7 -10.553 11.472 -18.988 781 1HB GLN 7 2HB GLN 7 -13.070 9.866 -18.441 782 2HB GLN 7 1HB GLN 7 -13.039 11.451 -19.214 783 1HG GLN 7 2HG GLN 7 -11.540 9.035 -20.260 784 2HG GLN 7 1HG GLN 7 -13.126 9.538 -20.844 785 1HE2 GLN 7 1HE2 GLN 7 -10.257 9.575 -22.092 786 2HE2 GLN 7 2HE2 GLN 7 -10.129 11.149 -22.713 787 H GLY 8 HN GLY 8 -11.744 9.834 -16.049 788 1HA GLY 8 2HA GLY 8 -11.287 12.227 -14.455 789 2HA GLY 8 1HA GLY 8 -13.004 11.949 -14.746 790 H THR 9 HN THR 9 -12.324 11.837 -12.159 791 HA THR 9 HA THR 9 -11.912 8.935 -11.543 792 HB THR 9 HB THR 9 -11.135 9.858 -9.334 793 HG1 THR 9 HG1 THR 9 -10.927 12.370 -10.482 794 1HG2 THR 9 1HG2 THR 9 -8.998 10.499 -10.152 795 2HG2 THR 9 2HG2 THR 9 -9.681 11.161 -11.637 796 3HG2 THR 9 3HG2 THR 9 -9.654 9.416 -11.380 797 H ALA 10 HN ALA 10 -13.004 8.272 -9.443 798 HA ALA 10 HA ALA 10 -15.729 9.525 -9.164 799 1HB ALA 10 1HB ALA 10 -16.531 7.681 -10.198 800 2HB ALA 10 2HB ALA 10 -15.884 6.704 -8.880 801 3HB ALA 10 3HB ALA 10 -14.904 7.004 -10.318 802 H LYS 11 HN LYS 11 -16.644 9.263 -7.061 803 HA LYS 11 HA LYS 11 -14.667 8.436 -4.967 804 1HB LYS 11 2HB LYS 11 -15.519 10.746 -4.918 805 2HB LYS 11 1HB LYS 11 -17.169 10.134 -4.866 806 1HG LYS 11 2HG LYS 11 -16.752 9.039 -2.730 807 2HG LYS 11 1HG LYS 11 -15.056 9.516 -2.788 808 1HD LYS 11 2HD LYS 11 -15.501 11.629 -2.098 809 2HD LYS 11 1HD LYS 11 -16.946 11.753 -3.106 810 1HE LYS 11 2HE LYS 11 -18.199 10.361 -1.470 811 2HE LYS 11 1HE LYS 11 -16.752 10.298 -0.442 812 1HZ LYS 11 1HZ LYS 11 -18.536 12.533 -0.991 813 2HZ LYS 11 2HZ LYS 11 -16.878 12.902 -0.943 814 3HZ LYS 11 3HZ LYS 11 -17.632 12.186 0.402 815 H LEU 12 HN LEU 12 -15.042 6.393 -4.206 816 HA LEU 12 HA LEU 12 -17.524 4.935 -4.397 817 1HB LEU 12 2HB LEU 12 -15.032 4.252 -3.834 818 2HB LEU 12 1HB LEU 12 -15.501 4.636 -2.192 819 HG LEU 12 HG LEU 12 -17.259 2.987 -2.226 820 1HD1 LEU 12 1HD1 LEU 12 -18.312 2.761 -4.224 821 2HD1 LEU 12 2HD1 LEU 12 -17.051 1.587 -4.599 822 3HD1 LEU 12 3HD1 LEU 12 -16.883 3.260 -5.128 823 1HD2 LEU 12 1HD2 LEU 12 -15.702 1.411 -1.800 824 2HD2 LEU 12 2HD2 LEU 12 -14.503 2.363 -2.678 825 3HD2 LEU 12 3HD2 LEU 12 -15.473 1.162 -3.531 826 H VAL 13 HN VAL 13 -19.344 5.284 -3.235 827 HA VAL 13 HA VAL 13 -19.106 6.811 -0.673 828 HB VAL 13 HB VAL 13 -20.035 8.289 -2.238 829 1HG1 VAL 13 1HG1 VAL 13 -21.036 5.853 -3.497 830 2HG1 VAL 13 2HG1 VAL 13 -20.636 7.414 -4.222 831 3HG1 VAL 13 3HG1 VAL 13 -22.219 7.159 -3.482 832 1HG2 VAL 13 1HG2 VAL 13 -21.591 7.375 -0.155 833 2HG2 VAL 13 2HG2 VAL 13 -22.696 7.291 -1.526 834 3HG2 VAL 13 3HG2 VAL 13 -21.926 8.822 -1.106 835 H SER 14 HN SER 14 -20.731 4.280 -2.483 836 HA SER 14 HA SER 14 -21.649 3.120 0.110 837 1HB SER 14 2HB SER 14 -23.244 4.631 -1.610 838 2HB SER 14 1HB SER 14 -23.678 2.963 -1.969 839 HG SER 14 HG SER 14 -24.347 2.683 0.064 840 H ILE 15 HN ILE 15 -21.777 0.868 0.078 841 HA ILE 15 HA ILE 15 -21.130 -0.494 -2.519 842 HB ILE 15 HB ILE 15 -20.884 -1.593 0.294 843 1HG1 ILE 15 2HG1 ILE 15 -18.853 -0.159 -1.435 844 2HG1 ILE 15 1HG1 ILE 15 -19.466 0.351 0.134 845 1HG2 ILE 15 1HG2 ILE 15 -19.134 -3.008 -1.045 846 2HG2 ILE 15 2HG2 ILE 15 -20.023 -2.451 -2.463 847 3HG2 ILE 15 3HG2 ILE 15 -20.850 -3.390 -1.219 848 1HD1 ILE 15 1HD1 ILE 15 -17.337 -1.553 -0.486 849 2HD1 ILE 15 2HD1 ILE 15 -18.543 -2.228 0.611 850 3HD1 ILE 15 3HD1 ILE 15 -17.700 -0.737 1.034 851 H ASP 16 HN ASP 16 -22.656 -1.887 -3.318 852 HA ASP 16 HA ASP 16 -25.040 -2.474 -1.599 853 1HB ASP 16 2HB ASP 16 -24.569 -2.143 -4.558 854 2HB ASP 16 1HB ASP 16 -26.012 -2.965 -3.960 855 H GLU 17 HN GLU 17 -24.854 -4.526 -0.757 856 HA GLU 17 HA GLU 17 -23.284 -6.536 -2.302 857 1HB GLU 17 2HB GLU 17 -22.663 -5.884 0.031 858 2HB GLU 17 1HB GLU 17 -24.224 -6.493 0.583 859 1HG GLU 17 2HG GLU 17 -23.662 -8.735 -0.281 860 2HG GLU 17 1HG GLU 17 -22.098 -8.130 -0.831 861 H LYS 18 HN LYS 18 -24.541 -7.869 -3.534 862 HA LYS 18 HA LYS 18 -27.144 -8.835 -2.390 863 1HB LYS 18 2HB LYS 18 -26.317 -9.110 -5.275 864 2HB LYS 18 1HB LYS 18 -27.940 -8.997 -4.599 865 1HG LYS 18 2HG LYS 18 -26.748 -6.594 -3.851 866 2HG LYS 18 1HG LYS 18 -26.151 -6.867 -5.488 867 1HD LYS 18 2HD LYS 18 -29.077 -7.155 -4.780 868 2HD LYS 18 1HD LYS 18 -28.382 -5.614 -5.285 869 1HE LYS 18 2HE LYS 18 -27.953 -6.363 -7.457 870 2HE LYS 18 1HE LYS 18 -27.885 -8.065 -6.962 871 1HZ LYS 18 1HZ LYS 18 -30.138 -6.555 -7.792 872 2HZ LYS 18 2HZ LYS 18 -30.388 -7.130 -6.213 873 3HZ LYS 18 3HZ LYS 18 -30.033 -8.216 -7.470 874 HA PRO 19 HA PRO 19 -24.925 -12.611 -1.677 875 1HB PRO 19 2HB PRO 19 -27.252 -14.210 -1.859 876 2HB PRO 19 1HB PRO 19 -26.567 -13.515 -0.377 877 1HG PRO 19 2HG PRO 19 -28.811 -12.552 -2.056 878 2HG PRO 19 1HG PRO 19 -28.561 -12.412 -0.309 879 1HD PRO 19 2HD PRO 19 -28.241 -10.315 -1.956 880 2HD PRO 19 1HD PRO 19 -27.218 -10.540 -0.515 881 H ASN 20 HN ASN 20 -27.063 -11.964 -4.362 882 HA ASN 20 HA ASN 20 -26.190 -14.279 -5.961 883 1HB ASN 20 2HB ASN 20 -27.504 -11.728 -6.918 884 2HB ASN 20 1HB ASN 20 -27.656 -13.350 -7.592 885 1HD2 ASN 20 1HD2 ASN 20 -29.215 -11.109 -5.602 886 2HD2 ASN 20 2HD2 ASN 20 -30.257 -12.172 -4.789 887 H PHE 21 HN PHE 21 -25.557 -10.774 -5.835 888 HA PHE 21 HA PHE 21 -22.901 -11.187 -7.085 889 1HB PHE 21 2HB PHE 21 -25.143 -9.520 -8.275 890 2HB PHE 21 1HB PHE 21 -23.477 -9.504 -8.852 891 HD1 PHE 21 HD1 PHE 21 -22.510 -11.440 -9.998 892 HD2 PHE 21 HD2 PHE 21 -26.582 -11.468 -8.620 893 HE1 PHE 21 HE1 PHE 21 -22.966 -13.446 -11.386 894 HE2 PHE 21 HE2 PHE 21 -27.039 -13.474 -10.008 895 HZ PHE 21 HZ PHE 21 -25.230 -14.463 -11.392 896 H ARG 22 HN ARG 22 -21.485 -9.384 -6.663 897 HA ARG 22 HA ARG 22 -22.410 -7.615 -4.478 898 1HB ARG 22 2HB ARG 22 -20.263 -8.856 -4.365 899 2HB ARG 22 1HB ARG 22 -19.703 -7.980 -5.787 900 1HG ARG 22 2HG ARG 22 -19.924 -5.850 -4.588 901 2HG ARG 22 1HG ARG 22 -20.526 -6.702 -3.166 902 1HD ARG 22 2HD ARG 22 -18.383 -7.937 -2.996 903 2HD ARG 22 1HD ARG 22 -17.771 -7.048 -4.407 904 HE ARG 22 HE ARG 22 -18.628 -5.018 -2.781 905 1HH1 ARG 22 1HH1 ARG 22 -16.663 -7.819 -2.276 906 2HH1 ARG 22 2HH1 ARG 22 -15.722 -7.088 -1.022 907 1HH2 ARG 22 1HH2 ARG 22 -17.403 -4.061 -1.147 908 2HH2 ARG 22 2HH2 ARG 22 -16.138 -4.965 -0.384 909 H THR 23 HN THR 23 -22.487 -5.381 -4.658 910 HA THR 23 HA THR 23 -22.189 -4.233 -7.415 911 HB THR 23 HB THR 23 -24.350 -3.794 -5.330 912 HG1 THR 23 HG1 THR 23 -25.496 -5.208 -6.430 913 1HG2 THR 23 1HG2 THR 23 -24.830 -2.986 -8.115 914 2HG2 THR 23 2HG2 THR 23 -23.541 -2.075 -7.326 915 3HG2 THR 23 3HG2 THR 23 -25.155 -2.112 -6.617 916 H HIS 24 HN HIS 24 -21.289 -2.134 -7.456 917 HA HIS 24 HA HIS 24 -20.745 -0.880 -4.787 918 1HB HIS 24 2HB HIS 24 -18.985 -1.925 -6.857 919 2HB HIS 24 1HB HIS 24 -18.627 -0.243 -6.461 920 HD1 HIS 24 HD1 HIS 24 -17.479 -3.363 -5.454 921 HD2 HIS 24 HD2 HIS 24 -19.023 -0.155 -3.290 922 HE1 HIS 24 HE1 HIS 24 -16.735 -3.688 -3.051 923 H VAL 25 HN VAL 25 -20.886 1.385 -4.731 924 HA VAL 25 HA VAL 25 -21.708 2.710 -7.293 925 HB VAL 25 HB VAL 25 -22.667 3.365 -4.511 926 1HG1 VAL 25 1HG1 VAL 25 -22.896 4.998 -6.475 927 2HG1 VAL 25 2HG1 VAL 25 -24.380 4.596 -5.610 928 3HG1 VAL 25 3HG1 VAL 25 -24.031 3.837 -7.164 929 1HG2 VAL 25 1HG2 VAL 25 -23.350 1.110 -6.260 930 2HG2 VAL 25 2HG2 VAL 25 -24.754 2.080 -5.811 931 3HG2 VAL 25 3HG2 VAL 25 -23.740 1.365 -4.558 932 H VAL 26 HN VAL 26 -20.649 4.550 -7.788 933 HA VAL 26 HA VAL 26 -18.844 5.757 -5.719 934 HB VAL 26 HB VAL 26 -17.441 6.351 -7.674 935 1HG1 VAL 26 1HG1 VAL 26 -16.581 4.330 -7.090 936 2HG1 VAL 26 2HG1 VAL 26 -17.417 3.733 -8.522 937 3HG1 VAL 26 3HG1 VAL 26 -18.180 3.599 -6.941 938 1HG2 VAL 26 1HG2 VAL 26 -19.329 6.592 -9.281 939 2HG2 VAL 26 2HG2 VAL 26 -19.538 4.841 -9.267 940 3HG2 VAL 26 3HG2 VAL 26 -18.054 5.547 -9.907 941 H GLU 27 HN GLU 27 -18.356 8.154 -6.375 942 HA GLU 27 HA GLU 27 -20.934 9.519 -7.027 943 1HB GLU 27 2HB GLU 27 -19.320 9.715 -4.878 944 2HB GLU 27 1HB GLU 27 -18.516 10.864 -5.941 945 1HG GLU 27 2HG GLU 27 -20.417 12.255 -6.081 946 2HG GLU 27 1HG GLU 27 -21.490 10.989 -5.488 947 H LEU 28 HN LEU 28 -21.006 10.214 -9.106 948 HA LEU 28 HA LEU 28 -18.600 10.284 -10.741 949 1HB LEU 28 2HB LEU 28 -21.270 9.667 -10.908 950 2HB LEU 28 1HB LEU 28 -21.195 11.189 -11.768 951 HG LEU 28 HG LEU 28 -20.866 9.273 -13.294 952 1HD1 LEU 28 1HD1 LEU 28 -19.277 10.331 -14.505 953 2HD1 LEU 28 2HD1 LEU 28 -18.109 10.304 -13.191 954 3HD1 LEU 28 3HD1 LEU 28 -19.362 11.545 -13.229 955 1HD2 LEU 28 1HD2 LEU 28 -19.569 8.131 -11.171 956 2HD2 LEU 28 2HD2 LEU 28 -18.211 8.607 -12.190 957 3HD2 LEU 28 3HD2 LEU 28 -19.464 7.543 -12.831 958 HA PRO 29 HA PRO 29 -18.082 14.644 -9.860 959 1HB PRO 29 2HB PRO 29 -16.082 15.070 -11.706 960 2HB PRO 29 1HB PRO 29 -15.822 14.453 -10.067 961 1HG PRO 29 2HG PRO 29 -15.874 13.003 -12.643 962 2HG PRO 29 1HG PRO 29 -14.950 12.670 -11.171 963 1HD PRO 29 2HD PRO 29 -17.167 11.276 -11.946 964 2HD PRO 29 1HD PRO 29 -16.613 11.404 -10.267 965 H ASP 30 HN ASP 30 -17.985 16.682 -11.258 966 HA ASP 30 HA ASP 30 -20.333 16.849 -12.790 967 1HB ASP 30 2HB ASP 30 -17.851 18.571 -12.606 968 2HB ASP 30 1HB ASP 30 -19.317 19.093 -13.437 969 H HIS 31 HN HIS 31 -16.960 16.502 -13.922 970 HA HIS 31 HA HIS 31 -17.856 16.830 -16.695 971 1HB HIS 31 2HB HIS 31 -15.469 16.821 -17.172 972 2HB HIS 31 1HB HIS 31 -15.756 17.807 -15.744 973 HD1 HIS 31 HD1 HIS 31 -16.190 14.817 -14.178 974 HD2 HIS 31 HD2 HIS 31 -12.817 16.476 -15.964 975 HE1 HIS 31 HE1 HIS 31 -14.193 13.648 -13.151 976 H MET 32 HN MET 32 -17.896 14.245 -14.658 977 HA MET 32 HA MET 32 -17.673 12.369 -16.987 978 1HB MET 32 2HB MET 32 -17.285 11.943 -14.010 979 2HB MET 32 1HB MET 32 -17.423 10.615 -15.163 980 1HG MET 32 2HG MET 32 -15.337 12.816 -15.251 981 2HG MET 32 1HG MET 32 -15.058 11.154 -14.726 982 1HE MET 32 1HE MET 32 -15.054 9.217 -15.933 983 2HE MET 32 2HE MET 32 -15.099 8.977 -17.678 984 3HE MET 32 3HE MET 32 -16.598 9.255 -16.796 985 H LEU 33 HN LEU 33 -19.708 13.881 -14.655 986 HA LEU 33 HA LEU 33 -21.842 11.967 -14.460 987 1HB LEU 33 2HB LEU 33 -21.462 14.927 -14.158 988 2HB LEU 33 1HB LEU 33 -23.106 14.293 -14.185 989 HG LEU 33 HG LEU 33 -20.977 13.133 -12.368 990 1HD1 LEU 33 1HD1 LEU 33 -22.358 14.551 -10.631 991 2HD1 LEU 33 2HD1 LEU 33 -22.724 15.555 -12.032 992 3HD1 LEU 33 3HD1 LEU 33 -21.050 15.313 -11.535 993 1HD2 LEU 33 1HD2 LEU 33 -23.247 11.995 -13.004 994 2HD2 LEU 33 2HD2 LEU 33 -23.960 13.211 -11.944 995 3HD2 LEU 33 3HD2 LEU 33 -22.782 12.066 -11.304 996 H ASP 34 HN ASP 34 -21.096 14.537 -16.794 997 HA ASP 34 HA ASP 34 -23.477 14.209 -18.405 998 1HB ASP 34 2HB ASP 34 -21.911 16.193 -18.251 999 2HB ASP 34 1HB ASP 34 -20.733 15.251 -19.164 1000 H GLY 35 HN GLY 35 -23.875 12.626 -19.916 1001 1HA GLY 35 2HA GLY 35 -23.206 11.274 -21.808 1002 2HA GLY 35 1HA GLY 35 -21.560 11.257 -21.178 1003 H LEU 36 HN LEU 36 -22.036 10.440 -18.530 1004 HA LEU 36 HA LEU 36 -22.126 7.617 -18.854 1005 1HB LEU 36 2HB LEU 36 -20.984 8.801 -17.034 1006 2HB LEU 36 1HB LEU 36 -22.537 9.363 -16.411 1007 HG LEU 36 HG LEU 36 -23.237 7.000 -16.088 1008 1HD1 LEU 36 1HD1 LEU 36 -20.468 6.522 -17.184 1009 2HD1 LEU 36 2HD1 LEU 36 -21.990 5.772 -17.668 1010 3HD1 LEU 36 3HD1 LEU 36 -21.244 5.338 -16.131 1011 1HD2 LEU 36 1HD2 LEU 36 -22.390 7.959 -14.116 1012 2HD2 LEU 36 2HD2 LEU 36 -20.752 8.068 -14.760 1013 3HD2 LEU 36 3HD2 LEU 36 -21.410 6.502 -14.289 1014 H GLU 37 HN GLU 37 -23.733 6.103 -18.438 1015 HA GLU 37 HA GLU 37 -26.350 6.935 -17.371 1016 1HB GLU 37 2HB GLU 37 -27.571 6.250 -19.353 1017 2HB GLU 37 1HB GLU 37 -26.325 7.389 -19.868 1018 1HG GLU 37 2HG GLU 37 -24.856 5.506 -20.490 1019 2HG GLU 37 1HG GLU 37 -26.102 4.365 -19.980 1020 H THR 38 HN THR 38 -27.672 4.979 -16.857 1021 HA THR 38 HA THR 38 -26.119 2.838 -15.785 1022 HB THR 38 HB THR 38 -28.679 1.873 -16.070 1023 HG1 THR 38 HG1 THR 38 -29.963 3.768 -15.733 1024 1HG2 THR 38 1HG2 THR 38 -28.993 3.208 -13.824 1025 2HG2 THR 38 2HG2 THR 38 -27.286 3.583 -14.053 1026 3HG2 THR 38 3HG2 THR 38 -27.809 1.905 -13.922 1027 H GLY 39 HN GLY 39 -25.825 0.679 -16.561 1028 1HA GLY 39 2HA GLY 39 -25.789 -1.060 -18.186 1029 2HA GLY 39 1HA GLY 39 -26.749 -0.046 -19.261 1030 H ALA 40 HN ALA 40 -24.497 2.037 -18.235 1031 HA ALA 40 HA ALA 40 -22.873 1.877 -20.649 1032 1HB ALA 40 1HB ALA 40 -21.628 3.697 -19.285 1033 2HB ALA 40 2HB ALA 40 -22.898 3.472 -18.080 1034 3HB ALA 40 3HB ALA 40 -23.310 4.019 -19.706 1035 H SER 41 HN SER 41 -20.540 1.408 -20.639 1036 HA SER 41 HA SER 41 -19.765 -0.492 -18.471 1037 1HB SER 41 2HB SER 41 -17.821 -0.696 -20.325 1038 2HB SER 41 1HB SER 41 -19.346 -1.565 -20.462 1039 HG SER 41 HG SER 41 -19.958 -0.261 -22.020 1040 H VAL 42 HN VAL 42 -19.010 0.864 -16.827 1041 HA VAL 42 HA VAL 42 -17.092 3.029 -17.432 1042 HB VAL 42 HB VAL 42 -18.633 1.975 -15.090 1043 1HG1 VAL 42 1HG1 VAL 42 -15.916 3.152 -14.911 1044 2HG1 VAL 42 2HG1 VAL 42 -16.748 2.047 -13.817 1045 3HG1 VAL 42 3HG1 VAL 42 -17.135 3.769 -13.795 1046 1HG2 VAL 42 1HG2 VAL 42 -18.443 4.675 -14.863 1047 2HG2 VAL 42 2HG2 VAL 42 -19.699 3.858 -15.799 1048 3HG2 VAL 42 3HG2 VAL 42 -18.254 4.477 -16.604 1049 H ALA 43 HN ALA 43 -14.908 2.726 -17.367 1050 HA ALA 43 HA ALA 43 -13.850 0.128 -16.352 1051 1HB ALA 43 1HB ALA 43 -13.111 0.846 -18.568 1052 2HB ALA 43 2HB ALA 43 -11.754 0.978 -17.450 1053 3HB ALA 43 3HB ALA 43 -12.643 2.423 -17.933 1054 H HIS 44 HN HIS 44 -13.224 0.164 -14.233 1055 HA HIS 44 HA HIS 44 -12.621 2.745 -12.899 1056 1HB HIS 44 2HB HIS 44 -13.143 -0.110 -12.119 1057 2HB HIS 44 1HB HIS 44 -12.307 0.942 -10.977 1058 HD1 HIS 44 HD1 HIS 44 -14.995 2.303 -13.272 1059 HD2 HIS 44 HD2 HIS 44 -14.545 1.177 -9.272 1060 HE1 HIS 44 HE1 HIS 44 -17.057 3.122 -12.048 1061 HE2 HIS 44 HE2 HIS 44 -16.792 2.427 -9.636 1062 H ASN 45 HN ASN 45 -10.594 3.423 -13.367 1063 HA ASN 45 HA ASN 45 -8.300 3.419 -13.831 1064 1HB ASN 45 2HB ASN 45 -8.610 2.203 -11.447 1065 2HB ASN 45 1HB ASN 45 -7.919 0.859 -12.363 1066 1HD2 ASN 45 1HD2 ASN 45 -7.203 3.912 -10.875 1067 2HD2 ASN 45 2HD2 ASN 45 -5.590 4.022 -11.364 1068 H GLY 46 HN GLY 46 -10.380 1.527 -15.292 1069 1HA GLY 46 2HA GLY 46 -9.682 0.891 -17.564 1070 2HA GLY 46 1HA GLY 46 -8.229 0.188 -16.861 1071 H CYS 47 HN CYS 47 -10.671 -0.671 -14.772 1072 HA CYS 47 HA CYS 47 -11.008 -3.315 -16.117 1073 1HB CYS 47 2HB CYS 47 -10.308 -3.038 -13.668 1074 2HB CYS 47 1HB CYS 47 -11.933 -2.421 -13.366 1075 HG CYS 47 HG CYS 47 -11.316 -5.279 -13.416 1076 H CYS 48 HN CYS 48 -12.681 -3.174 -17.590 1077 HA CYS 48 HA CYS 48 -14.767 -1.214 -17.353 1078 1HB CYS 48 2HB CYS 48 -15.559 -2.263 -19.418 1079 2HB CYS 48 1HB CYS 48 -13.802 -2.129 -19.458 1080 HG CYS 48 HG CYS 48 -13.631 -4.599 -19.533 1081 H LEU 49 HN LEU 49 -16.707 -1.353 -16.363 1082 HA LEU 49 HA LEU 49 -18.019 -3.991 -16.050 1083 1HB LEU 49 2HB LEU 49 -18.533 -3.233 -13.616 1084 2HB LEU 49 1HB LEU 49 -16.920 -3.858 -13.958 1085 HG LEU 49 HG LEU 49 -17.159 -0.974 -14.439 1086 1HD1 LEU 49 1HD1 LEU 49 -18.364 -2.065 -12.063 1087 2HD1 LEU 49 2HD1 LEU 49 -18.201 -0.373 -12.534 1088 3HD1 LEU 49 3HD1 LEU 49 -16.917 -1.160 -11.616 1089 1HD2 LEU 49 1HD2 LEU 49 -15.107 -2.629 -14.171 1090 2HD2 LEU 49 2HD2 LEU 49 -15.329 -2.293 -12.454 1091 3HD2 LEU 49 3HD2 LEU 49 -14.988 -0.974 -13.574 1092 H THR 50 HN THR 50 -20.370 -3.692 -15.560 1093 HA THR 50 HA THR 50 -21.308 -1.293 -17.017 1094 HB THR 50 HB THR 50 -22.841 -3.769 -16.190 1095 HG1 THR 50 HG1 THR 50 -22.074 -4.723 -18.010 1096 1HG2 THR 50 1HG2 THR 50 -24.148 -1.856 -17.080 1097 2HG2 THR 50 2HG2 THR 50 -24.180 -3.233 -18.180 1098 3HG2 THR 50 3HG2 THR 50 -23.138 -1.854 -18.525 1099 H VAL 51 HN VAL 51 -23.013 0.027 -16.273 1100 HA VAL 51 HA VAL 51 -23.140 0.412 -13.379 1101 HB VAL 51 HB VAL 51 -24.660 1.702 -15.667 1102 1HG1 VAL 51 1HG1 VAL 51 -24.364 2.255 -12.772 1103 2HG1 VAL 51 2HG1 VAL 51 -25.704 2.612 -13.860 1104 3HG1 VAL 51 3HG1 VAL 51 -24.278 3.648 -13.852 1105 1HG2 VAL 51 1HG2 VAL 51 -22.433 3.217 -14.638 1106 2HG2 VAL 51 2HG2 VAL 51 -22.771 2.712 -16.295 1107 3HG2 VAL 51 3HG2 VAL 51 -21.891 1.638 -15.208 1108 H THR 52 HN THR 52 -24.502 -0.863 -12.162 1109 HA THR 52 HA THR 52 -26.846 -2.223 -13.218 1110 HB THR 52 HB THR 52 -27.128 -2.867 -10.899 1111 HG1 THR 52 HG1 THR 52 -26.887 -1.226 -9.603 1112 1HG2 THR 52 1HG2 THR 52 -25.236 -4.099 -10.843 1113 2HG2 THR 52 2HG2 THR 52 -24.211 -2.666 -10.748 1114 3HG2 THR 52 3HG2 THR 52 -24.783 -3.241 -12.315 1115 H GLU 53 HN GLU 53 -26.282 0.760 -11.342 1116 HA GLU 53 HA GLU 53 -28.819 1.879 -12.325 1117 1HB GLU 53 2HB GLU 53 -29.437 0.365 -10.429 1118 2HB GLU 53 1HB GLU 53 -28.404 1.328 -9.371 1119 1HG GLU 53 2HG GLU 53 -29.754 3.334 -9.873 1120 2HG GLU 53 1HG GLU 53 -30.789 2.371 -10.929 1121 H ILE 54 HN ILE 54 -28.952 4.174 -11.867 1122 HA ILE 54 HA ILE 54 -26.384 5.394 -10.895 1123 HB ILE 54 HB ILE 54 -28.692 6.328 -12.632 1124 1HG1 ILE 54 2HG1 ILE 54 -25.878 6.675 -13.446 1125 2HG1 ILE 54 1HG1 ILE 54 -26.375 4.996 -13.250 1126 1HG2 ILE 54 1HG2 ILE 54 -26.409 7.931 -11.442 1127 2HG2 ILE 54 2HG2 ILE 54 -28.135 8.205 -11.208 1128 3HG2 ILE 54 3HG2 ILE 54 -27.403 8.490 -12.787 1129 1HD1 ILE 54 1HD1 ILE 54 -26.764 6.354 -15.544 1130 2HD1 ILE 54 2HD1 ILE 54 -28.257 6.784 -14.709 1131 3HD1 ILE 54 3HD1 ILE 54 -27.868 5.089 -15.001 1132 H ASN 55 HN ASN 55 -26.409 6.478 -8.993 1133 HA ASN 55 HA ASN 55 -29.033 6.802 -7.589 1134 1HB ASN 55 2HB ASN 55 -26.173 6.349 -6.834 1135 2HB ASN 55 1HB ASN 55 -27.198 7.207 -5.685 1136 1HD2 ASN 55 1HD2 ASN 55 -27.385 4.265 -7.780 1137 2HD2 ASN 55 2HD2 ASN 55 -28.187 3.318 -6.622 1138 H GLY 56 HN GLY 56 -29.079 8.743 -9.287 1139 1HA GLY 56 2HA GLY 56 -29.139 11.113 -9.440 1140 2HA GLY 56 1HA GLY 56 -28.351 11.204 -7.861 1141 H ASN 57 HN ASN 57 -26.298 11.987 -7.959 1142 HA ASN 57 HA ASN 57 -24.787 12.002 -10.468 1143 1HB ASN 57 2HB ASN 57 -23.620 13.607 -9.363 1144 2HB ASN 57 1HB ASN 57 -24.840 13.455 -8.120 1145 1HD2 ASN 57 1HD2 ASN 57 -21.845 11.843 -9.137 1146 2HD2 ASN 57 2HD2 ASN 57 -21.263 11.534 -7.575 1147 H HIS 58 HN HIS 58 -25.197 9.906 -7.735 1148 HA HIS 58 HA HIS 58 -22.657 8.531 -7.859 1149 1HB HIS 58 2HB HIS 58 -25.387 8.036 -6.697 1150 2HB HIS 58 1HB HIS 58 -24.152 6.784 -6.611 1151 HD1 HIS 58 HD1 HIS 58 -25.425 9.146 -4.454 1152 HD2 HIS 58 HD2 HIS 58 -21.520 8.406 -5.719 1153 HE1 HIS 58 HE1 HIS 58 -23.895 10.143 -2.700 1154 H VAL 59 HN VAL 59 -22.374 6.293 -8.596 1155 HA VAL 59 HA VAL 59 -24.497 5.270 -10.392 1156 HB VAL 59 HB VAL 59 -21.611 5.799 -11.118 1157 1HG1 VAL 59 1HG1 VAL 59 -21.720 3.831 -12.248 1158 2HG1 VAL 59 2HG1 VAL 59 -22.804 4.695 -13.342 1159 3HG1 VAL 59 3HG1 VAL 59 -23.467 3.713 -12.034 1160 1HG2 VAL 59 1HG2 VAL 59 -24.211 7.002 -11.644 1161 2HG2 VAL 59 2HG2 VAL 59 -23.404 6.542 -13.146 1162 3HG2 VAL 59 3HG2 VAL 59 -22.602 7.628 -12.012 1163 H SER 60 HN SER 60 -24.889 3.206 -9.832 1164 HA SER 60 HA SER 60 -22.921 1.695 -8.195 1165 1HB SER 60 2HB SER 60 -24.848 0.387 -7.611 1166 2HB SER 60 1HB SER 60 -25.390 2.062 -7.648 1167 HG SER 60 HG SER 60 -26.775 0.604 -8.796 1168 H PHE 61 HN PHE 61 -21.655 0.129 -9.201 1169 HA PHE 61 HA PHE 61 -22.657 -0.930 -11.839 1170 1HB PHE 61 2HB PHE 61 -20.069 -1.307 -12.117 1171 2HB PHE 61 1HB PHE 61 -20.724 0.315 -12.319 1172 HD1 PHE 61 HD1 PHE 61 -20.461 2.015 -10.572 1173 HD2 PHE 61 HD2 PHE 61 -18.723 -1.895 -10.163 1174 HE1 PHE 61 HE1 PHE 61 -19.046 2.839 -8.713 1175 HE2 PHE 61 HE2 PHE 61 -17.301 -1.067 -8.303 1176 HZ PHE 61 HZ PHE 61 -17.463 1.302 -7.578 1177 H ASP 62 HN ASP 62 -22.192 -3.199 -12.260 1178 HA ASP 62 HA ASP 62 -22.481 -4.787 -9.812 1179 1HB ASP 62 2HB ASP 62 -23.076 -6.546 -11.405 1180 2HB ASP 62 1HB ASP 62 -23.864 -5.044 -11.884 1181 H LEU 63 HN LEU 63 -21.220 -6.568 -9.245 1182 HA LEU 63 HA LEU 63 -18.607 -7.013 -10.559 1183 1HB LEU 63 2HB LEU 63 -19.100 -5.156 -8.428 1184 2HB LEU 63 1HB LEU 63 -18.135 -6.479 -7.795 1185 HG LEU 63 HG LEU 63 -17.082 -5.824 -10.356 1186 1HD1 LEU 63 1HD1 LEU 63 -17.489 -3.615 -10.562 1187 2HD1 LEU 63 2HD1 LEU 63 -16.496 -3.364 -9.127 1188 3HD1 LEU 63 3HD1 LEU 63 -18.245 -3.552 -8.969 1189 1HD2 LEU 63 1HD2 LEU 63 -15.720 -4.825 -7.905 1190 2HD2 LEU 63 2HD2 LEU 63 -15.095 -5.868 -9.183 1191 3HD2 LEU 63 3HD2 LEU 63 -16.121 -6.541 -7.916 1192 H MET 64 HN MET 64 -18.617 -9.263 -10.551 1193 HA MET 64 HA MET 64 -20.159 -10.792 -8.628 1194 1HB MET 64 2HB MET 64 -19.570 -11.405 -11.014 1195 2HB MET 64 1HB MET 64 -17.926 -11.711 -10.462 1196 1HG MET 64 2HG MET 64 -18.767 -13.385 -8.860 1197 2HG MET 64 1HG MET 64 -20.414 -13.084 -9.413 1198 1HE MET 64 1HE MET 64 -20.918 -12.796 -11.676 1199 2HE MET 64 2HE MET 64 -21.245 -14.451 -12.182 1200 3HE MET 64 3HE MET 64 -20.102 -13.468 -13.095 1201 H LYS 65 HN LYS 65 -19.415 -11.869 -6.775 1202 HA LYS 65 HA LYS 65 -17.318 -10.716 -5.294 1203 1HB LYS 65 2HB LYS 65 -19.236 -11.978 -4.388 1204 2HB LYS 65 1HB LYS 65 -18.594 -13.464 -5.089 1205 1HG LYS 65 2HG LYS 65 -16.561 -13.242 -3.707 1206 2HG LYS 65 1HG LYS 65 -17.202 -11.758 -3.002 1207 1HD LYS 65 2HD LYS 65 -19.084 -12.967 -2.044 1208 2HD LYS 65 1HD LYS 65 -18.578 -14.454 -2.847 1209 1HE LYS 65 2HE LYS 65 -16.324 -14.101 -1.566 1210 2HE LYS 65 1HE LYS 65 -17.288 -13.040 -0.519 1211 1HZ LYS 65 1HZ LYS 65 -17.275 -15.460 0.124 1212 2HZ LYS 65 2HZ LYS 65 -18.160 -15.767 -1.293 1213 3HZ LYS 65 3HZ LYS 65 -18.811 -14.771 -0.080 1214 H GLU 66 HN GLU 66 -17.333 -13.897 -6.967 1215 HA GLU 66 HA GLU 66 -14.575 -14.490 -6.390 1216 1HB GLU 66 2HB GLU 66 -16.290 -16.146 -7.050 1217 2HB GLU 66 1HB GLU 66 -16.417 -15.384 -8.636 1218 1HG GLU 66 2HG GLU 66 -14.043 -15.893 -9.075 1219 2HG GLU 66 1HG GLU 66 -13.915 -16.659 -7.491 1220 H THR 67 HN THR 67 -16.179 -12.889 -9.150 1221 HA THR 67 HA THR 67 -13.818 -12.469 -10.748 1222 HB THR 67 HB THR 67 -16.330 -10.800 -10.392 1223 HG1 THR 67 HG1 THR 67 -15.851 -12.586 -12.495 1224 1HG2 THR 67 1HG2 THR 67 -13.972 -10.575 -12.121 1225 2HG2 THR 67 2HG2 THR 67 -15.208 -9.376 -11.745 1226 3HG2 THR 67 3HG2 THR 67 -15.497 -10.574 -13.008 1227 H LEU 68 HN LEU 68 -15.344 -10.649 -8.105 1228 HA LEU 68 HA LEU 68 -13.666 -8.349 -8.112 1229 1HB LEU 68 2HB LEU 68 -15.803 -8.664 -6.897 1230 2HB LEU 68 1HB LEU 68 -15.039 -9.876 -5.871 1231 HG LEU 68 HG LEU 68 -13.330 -8.035 -5.278 1232 1HD1 LEU 68 1HD1 LEU 68 -15.588 -6.224 -6.150 1233 2HD1 LEU 68 2HD1 LEU 68 -14.230 -6.584 -7.216 1234 3HD1 LEU 68 3HD1 LEU 68 -13.952 -5.772 -5.678 1235 1HD2 LEU 68 1HD2 LEU 68 -15.668 -6.959 -4.061 1236 2HD2 LEU 68 2HD2 LEU 68 -14.545 -8.140 -3.385 1237 3HD2 LEU 68 3HD2 LEU 68 -15.949 -8.684 -4.305 1238 H ARG 69 HN ARG 69 -13.369 -11.494 -6.477 1239 HA ARG 69 HA ARG 69 -10.861 -10.970 -5.141 1240 1HB ARG 69 2HB ARG 69 -12.367 -13.448 -6.026 1241 2HB ARG 69 1HB ARG 69 -10.908 -13.518 -5.041 1242 1HG ARG 69 2HG ARG 69 -13.237 -11.794 -4.219 1243 2HG ARG 69 1HG ARG 69 -13.202 -13.512 -3.824 1244 1HD ARG 69 2HD ARG 69 -11.131 -13.255 -2.586 1245 2HD ARG 69 1HD ARG 69 -10.982 -11.565 -3.109 1246 HE ARG 69 HE ARG 69 -13.543 -12.071 -1.848 1247 1HH1 ARG 69 1HH1 ARG 69 -10.185 -11.461 -1.306 1248 2HH1 ARG 69 2HH1 ARG 69 -10.437 -10.742 0.248 1249 1HH2 ARG 69 1HH2 ARG 69 -13.879 -11.134 0.176 1250 2HH2 ARG 69 2HH2 ARG 69 -12.523 -10.557 1.087 1251 H ILE 70 HN ILE 70 -11.744 -12.428 -8.269 1252 HA ILE 70 HA ILE 70 -9.117 -13.303 -8.988 1253 HB ILE 70 HB ILE 70 -11.717 -13.539 -9.841 1254 1HG1 ILE 70 2HG1 ILE 70 -9.308 -14.262 -11.513 1255 2HG1 ILE 70 1HG1 ILE 70 -9.766 -15.124 -10.045 1256 1HG2 ILE 70 1HG2 ILE 70 -10.222 -11.886 -11.878 1257 2HG2 ILE 70 2HG2 ILE 70 -11.808 -11.569 -11.180 1258 3HG2 ILE 70 3HG2 ILE 70 -11.593 -12.908 -12.306 1259 1HD1 ILE 70 1HD1 ILE 70 -10.664 -15.801 -12.523 1260 2HD1 ILE 70 2HD1 ILE 70 -11.951 -14.716 -12.000 1261 3HD1 ILE 70 3HD1 ILE 70 -11.551 -16.139 -11.038 1262 H THR 71 HN THR 71 -10.952 -10.353 -9.620 1263 HA THR 71 HA THR 71 -8.764 -9.120 -11.147 1264 HB THR 71 HB THR 71 -10.347 -7.228 -11.231 1265 HG1 THR 71 HG1 THR 71 -12.078 -8.774 -9.629 1266 1HG2 THR 71 1HG2 THR 71 -12.055 -8.268 -12.483 1267 2HG2 THR 71 2HG2 THR 71 -11.977 -9.746 -11.523 1268 3HG2 THR 71 3HG2 THR 71 -10.672 -9.352 -12.642 1269 H ASN 72 HN ASN 72 -8.583 -6.628 -10.261 1270 HA ASN 72 HA ASN 72 -7.806 -6.793 -7.384 1271 1HB ASN 72 2HB ASN 72 -5.951 -6.129 -8.682 1272 2HB ASN 72 1HB ASN 72 -6.942 -5.191 -9.787 1273 1HD2 ASN 72 1HD2 ASN 72 -5.794 -3.176 -9.481 1274 2HD2 ASN 72 2HD2 ASN 72 -5.810 -2.347 -7.996 1275 H LEU 73 HN LEU 73 -10.560 -6.424 -8.786 1276 HA LEU 73 HA LEU 73 -11.400 -3.702 -8.176 1277 1HB LEU 73 2HB LEU 73 -12.802 -6.357 -8.605 1278 2HB LEU 73 1HB LEU 73 -13.673 -4.844 -8.364 1279 HG LEU 73 HG LEU 73 -11.614 -5.282 -10.564 1280 1HD1 LEU 73 1HD1 LEU 73 -13.756 -6.678 -10.698 1281 2HD1 LEU 73 2HD1 LEU 73 -13.432 -5.619 -12.069 1282 3HD1 LEU 73 3HD1 LEU 73 -14.622 -5.150 -10.857 1283 1HD2 LEU 73 1HD2 LEU 73 -13.058 -2.976 -9.500 1284 2HD2 LEU 73 2HD2 LEU 73 -13.406 -3.229 -11.211 1285 3HD2 LEU 73 3HD2 LEU 73 -11.739 -3.024 -10.670 1286 H GLY 74 HN GLY 74 -11.457 -6.826 -6.438 1287 1HA GLY 74 2HA GLY 74 -12.960 -6.247 -4.199 1288 2HA GLY 74 1HA GLY 74 -11.499 -7.221 -4.128 1289 H ASP 75 HN ASP 75 -9.914 -4.791 -5.087 1290 HA ASP 75 HA ASP 75 -9.077 -3.966 -2.471 1291 1HB ASP 75 2HB ASP 75 -7.491 -2.632 -3.711 1292 2HB ASP 75 1HB ASP 75 -7.746 -4.121 -4.622 1293 H LEU 76 HN LEU 76 -11.508 -2.720 -4.615 1294 HA LEU 76 HA LEU 76 -11.482 0.036 -3.965 1295 1HB LEU 76 2HB LEU 76 -13.772 -1.836 -4.586 1296 2HB LEU 76 1HB LEU 76 -13.868 -0.081 -4.670 1297 HG LEU 76 HG LEU 76 -11.931 -1.785 -6.262 1298 1HD1 LEU 76 1HD1 LEU 76 -13.780 -2.153 -7.534 1299 2HD1 LEU 76 2HD1 LEU 76 -13.562 -0.480 -8.045 1300 3HD1 LEU 76 3HD1 LEU 76 -14.691 -0.865 -6.745 1301 1HD2 LEU 76 1HD2 LEU 76 -12.341 0.867 -7.267 1302 2HD2 LEU 76 2HD2 LEU 76 -10.850 0.154 -6.648 1303 3HD2 LEU 76 3HD2 LEU 76 -11.957 0.981 -5.549 1304 H LYS 77 HN LYS 77 -12.302 1.202 -2.305 1305 HA LYS 77 HA LYS 77 -13.950 -0.132 -0.211 1306 1HB LYS 77 2HB LYS 77 -11.333 1.352 0.229 1307 2HB LYS 77 1HB LYS 77 -12.405 0.810 1.522 1308 1HG LYS 77 2HG LYS 77 -12.154 -1.523 0.757 1309 2HG LYS 77 1HG LYS 77 -11.080 -0.984 -0.534 1310 1HD LYS 77 2HD LYS 77 -9.504 -0.092 1.143 1311 2HD LYS 77 1HD LYS 77 -10.575 -0.634 2.436 1312 1HE LYS 77 2HE LYS 77 -10.358 -2.990 1.486 1313 2HE LYS 77 1HE LYS 77 -9.058 -2.359 0.456 1314 1HZ LYS 77 1HZ LYS 77 -8.574 -3.244 2.881 1315 2HZ LYS 77 2HZ LYS 77 -9.012 -1.656 3.295 1316 3HZ LYS 77 3HZ LYS 77 -7.719 -1.932 2.228 1317 H VAL 78 HN VAL 78 -15.470 1.289 0.636 1318 HA VAL 78 HA VAL 78 -16.097 3.652 -0.781 1319 HB VAL 78 HB VAL 78 -16.841 2.966 2.077 1320 1HG1 VAL 78 1HG1 VAL 78 -18.447 4.551 1.863 1321 2HG1 VAL 78 2HG1 VAL 78 -18.882 3.999 0.243 1322 3HG1 VAL 78 3HG1 VAL 78 -17.533 5.126 0.465 1323 1HG2 VAL 78 1HG2 VAL 78 -17.905 1.140 1.311 1324 2HG2 VAL 78 2HG2 VAL 78 -17.121 1.395 -0.248 1325 3HG2 VAL 78 3HG2 VAL 78 -18.709 2.092 0.064 1326 H GLY 79 HN GLY 79 -15.925 5.856 -0.189 1327 1HA GLY 79 2HA GLY 79 -15.020 7.716 1.018 1328 2HA GLY 79 1HA GLY 79 -14.119 6.589 2.034 1329 H ASP 80 HN ASP 80 -13.487 5.221 -0.721 1330 HA ASP 80 HA ASP 80 -11.031 6.825 -1.258 1331 1HB ASP 80 2HB ASP 80 -11.080 4.312 -0.778 1332 2HB ASP 80 1HB ASP 80 -11.868 4.121 -2.342 1333 H TRP 81 HN TRP 81 -10.471 7.062 -3.646 1334 HA TRP 81 HA TRP 81 -12.961 7.391 -5.287 1335 1HB TRP 81 2HB TRP 81 -10.364 8.941 -5.190 1336 2HB TRP 81 1HB TRP 81 -11.513 9.112 -6.509 1337 HD1 TRP 81 HD1 TRP 81 -12.030 8.919 -2.670 1338 HE1 TRP 81 HE1 TRP 81 -13.532 10.887 -1.974 1339 HE3 TRP 81 HE3 TRP 81 -12.636 11.210 -7.196 1340 HZ2 TRP 81 HZ2 TRP 81 -14.816 13.148 -3.170 1341 HZ3 TRP 81 HZ3 TRP 81 -14.003 13.272 -7.390 1342 HH2 TRP 81 HH2 TRP 81 -15.093 14.241 -5.382 1343 H VAL 82 HN VAL 82 -12.530 7.106 -7.671 1344 HA VAL 82 HA VAL 82 -10.395 5.061 -8.188 1345 HB VAL 82 HB VAL 82 -12.390 3.815 -8.022 1346 1HG1 VAL 82 1HG1 VAL 82 -13.654 6.286 -9.164 1347 2HG1 VAL 82 2HG1 VAL 82 -14.089 5.396 -7.705 1348 3HG1 VAL 82 3HG1 VAL 82 -14.493 4.740 -9.293 1349 1HG2 VAL 82 1HG2 VAL 82 -12.712 4.595 -10.901 1350 2HG2 VAL 82 2HG2 VAL 82 -12.785 2.989 -10.167 1351 3HG2 VAL 82 3HG2 VAL 82 -11.226 3.790 -10.377 1352 H ASN 83 HN ASN 83 -9.756 4.945 -10.432 1353 HA ASN 83 HA ASN 83 -9.993 7.436 -12.001 1354 1HB ASN 83 2HB ASN 83 -8.333 5.036 -11.835 1355 2HB ASN 83 1HB ASN 83 -8.783 5.374 -13.491 1356 1HD2 ASN 83 1HD2 ASN 83 -8.875 8.323 -13.158 1357 2HD2 ASN 83 2HD2 ASN 83 -7.272 8.831 -12.950 1358 H VAL 84 HN VAL 84 -12.052 7.613 -12.898 1359 HA VAL 84 HA VAL 84 -13.285 5.109 -13.964 1360 HB VAL 84 HB VAL 84 -15.334 6.835 -13.969 1361 1HG1 VAL 84 1HG1 VAL 84 -14.271 5.579 -11.422 1362 2HG1 VAL 84 2HG1 VAL 84 -15.033 4.668 -12.729 1363 3HG1 VAL 84 3HG1 VAL 84 -15.959 5.882 -11.843 1364 1HG2 VAL 84 1HG2 VAL 84 -13.917 8.742 -13.213 1365 2HG2 VAL 84 2HG2 VAL 84 -13.542 7.850 -11.740 1366 3HG2 VAL 84 3HG2 VAL 84 -15.198 8.362 -12.062 1367 H GLU 85 HN GLU 85 -13.855 4.914 -16.056 1368 HA GLU 85 HA GLU 85 -13.646 7.289 -17.863 1369 1HB GLU 85 2HB GLU 85 -11.466 6.096 -17.774 1370 2HB GLU 85 1HB GLU 85 -12.279 4.604 -18.249 1371 1HG GLU 85 2HG GLU 85 -12.959 5.599 -20.371 1372 2HG GLU 85 1HG GLU 85 -12.264 7.150 -19.895 1373 H ARG 86 HN ARG 86 -15.032 7.120 -19.690 1374 HA ARG 86 HA ARG 86 -17.243 5.231 -19.372 1375 1HB ARG 86 2HB ARG 86 -17.592 7.580 -19.940 1376 2HB ARG 86 1HB ARG 86 -16.605 7.401 -21.391 1377 1HG ARG 86 2HG ARG 86 -18.210 5.758 -22.289 1378 2HG ARG 86 1HG ARG 86 -19.200 5.931 -20.839 1379 1HD ARG 86 2HD ARG 86 -20.078 7.332 -22.697 1380 2HD ARG 86 1HD ARG 86 -19.507 8.349 -21.357 1381 HE ARG 86 HE ARG 86 -17.423 7.741 -23.313 1382 1HH1 ARG 86 1HH1 ARG 86 -20.051 9.805 -22.427 1383 2HH1 ARG 86 2HH1 ARG 86 -19.455 11.160 -23.326 1384 1HH2 ARG 86 1HH2 ARG 86 -16.642 9.503 -24.487 1385 2HH2 ARG 86 2HH2 ARG 86 -17.530 10.989 -24.489 1386 H ALA 87 HN ALA 87 -17.494 3.335 -20.466 1387 HA ALA 87 HA ALA 87 -15.863 2.887 -22.949 1388 1HB ALA 87 1HB ALA 87 -15.569 1.534 -20.664 1389 2HB ALA 87 2HB ALA 87 -15.448 0.730 -22.229 1390 3HB ALA 87 3HB ALA 87 -16.945 0.638 -21.305 1391 H ALA 88 HN ALA 88 -16.980 2.001 -24.708 1392 HA ALA 88 HA ALA 88 -19.968 1.851 -24.421 1393 1HB ALA 88 1HB ALA 88 -20.034 2.901 -26.635 1394 2HB ALA 88 2HB ALA 88 -18.275 2.822 -26.746 1395 3HB ALA 88 3HB ALA 88 -19.037 3.875 -25.554 1396 H LYS 89 HN LYS 89 -20.954 0.081 -25.337 1397 HA LYS 89 HA LYS 89 -19.508 -2.277 -26.009 1398 1HB LYS 89 2HB LYS 89 -22.313 -1.312 -26.660 1399 2HB LYS 89 1HB LYS 89 -21.779 -2.986 -26.813 1400 1HG LYS 89 2HG LYS 89 -21.725 -3.323 -24.546 1401 2HG LYS 89 1HG LYS 89 -21.236 -1.662 -24.208 1402 1HD LYS 89 2HD LYS 89 -23.461 -0.845 -24.504 1403 2HD LYS 89 1HD LYS 89 -24.003 -2.374 -25.200 1404 1HE LYS 89 2HE LYS 89 -22.820 -2.556 -22.477 1405 2HE LYS 89 1HE LYS 89 -24.395 -1.747 -22.591 1406 1HZ LYS 89 1HZ LYS 89 -23.846 -4.287 -24.005 1407 2HZ LYS 89 2HZ LYS 89 -25.350 -3.584 -23.643 1408 3HZ LYS 89 3HZ LYS 89 -24.412 -4.274 -22.406 1409 H PHE 90 HN PHE 90 -20.935 0.264 -28.063 1410 HA PHE 90 HA PHE 90 -19.180 -0.653 -30.291 1411 1HB PHE 90 2HB PHE 90 -21.133 -0.530 -31.816 1412 2HB PHE 90 1HB PHE 90 -21.385 -1.722 -30.543 1413 HD1 PHE 90 HD1 PHE 90 -22.348 1.597 -31.816 1414 HD2 PHE 90 HD2 PHE 90 -22.966 -1.320 -28.720 1415 HE1 PHE 90 HE1 PHE 90 -24.397 2.798 -31.094 1416 HE2 PHE 90 HE2 PHE 90 -25.014 -0.119 -27.997 1417 HZ PHE 90 HZ PHE 90 -25.730 1.940 -29.184 1418 H SER 91 HN SER 91 -18.795 1.051 -31.862 1419 HA SER 91 HA SER 91 -19.673 3.781 -30.978 1420 1HB SER 91 2HB SER 91 -16.976 2.769 -31.920 1421 2HB SER 91 1HB SER 91 -17.369 4.482 -31.803 1422 HG SER 91 HG SER 91 -16.936 2.589 -29.816 1423 H ASP 92 HN ASP 92 -20.668 4.901 -32.611 1424 HA ASP 92 HA ASP 92 -21.166 3.752 -35.187 1425 1HB ASP 92 2HB ASP 92 -22.604 5.387 -34.026 1426 2HB ASP 92 1HB ASP 92 -21.342 6.610 -34.178 1427 H GLU 93 HN GLU 93 -18.935 6.315 -34.132 1428 HA GLU 93 HA GLU 93 -16.972 5.836 -36.177 1429 1HB GLU 93 2HB GLU 93 -17.576 7.802 -37.568 1430 2HB GLU 93 1HB GLU 93 -18.882 6.622 -37.522 1431 1HG GLU 93 2HG GLU 93 -19.642 8.053 -35.418 1432 2HG GLU 93 1HG GLU 93 -18.736 9.317 -36.251 1433 H ILE 94 HN ILE 94 -16.746 6.259 -33.455 1434 HA ILE 94 HA ILE 94 -16.401 9.008 -32.680 1435 HB ILE 94 HB ILE 94 -15.395 6.357 -31.604 1436 1HG1 ILE 94 2HG1 ILE 94 -17.493 8.160 -30.396 1437 2HG1 ILE 94 1HG1 ILE 94 -17.916 7.020 -31.676 1438 1HG2 ILE 94 1HG2 ILE 94 -14.657 9.070 -30.878 1439 2HG2 ILE 94 2HG2 ILE 94 -14.020 7.542 -30.269 1440 3HG2 ILE 94 3HG2 ILE 94 -15.456 8.253 -29.534 1441 1HD1 ILE 94 1HD1 ILE 94 -16.440 5.422 -30.027 1442 2HD1 ILE 94 2HD1 ILE 94 -18.197 5.561 -29.950 1443 3HD1 ILE 94 3HD1 ILE 94 -17.188 6.510 -28.857 1444 H GLY 95 HN GLY 95 -14.060 6.501 -33.682 1445 1HA GLY 95 2HA GLY 95 -11.738 6.683 -34.079 1446 2HA GLY 95 1HA GLY 95 -12.232 8.061 -35.063 1447 H GLY 96 HN GLY 96 -11.857 7.343 -31.555 1448 1HA GLY 96 2HA GLY 96 -10.902 10.142 -31.221 1449 2HA GLY 96 1HA GLY 96 -11.530 9.119 -29.928 1450 H HIS 97 HN HIS 97 -10.130 7.609 -28.934 1451 HA HIS 97 HA HIS 97 -7.395 7.189 -29.875 1452 1HB HIS 97 2HB HIS 97 -6.350 8.507 -28.069 1453 2HB HIS 97 1HB HIS 97 -7.365 9.539 -29.076 1454 HD1 HIS 97 HD1 HIS 97 -7.673 7.526 -25.846 1455 HD2 HIS 97 HD2 HIS 97 -9.233 10.962 -27.618 1456 HE1 HIS 97 HE1 HIS 97 -9.180 8.602 -24.118 1457 HN3 RBF 98 HN3 RBF 98 4.098 6.516 -13.515 1458 HC6 RBF 98 HC6 RBF 98 3.063 4.875 -20.191 1459 1HC7 RBF 98 1HC7 RBF 98 2.324 4.462 -22.371 1460 2HC7 RBF 98 2HC7 RBF 98 2.190 6.018 -23.217 1461 3HC7 RBF 98 3HC7 RBF 98 0.731 5.064 -22.878 1462 1HC8 RBF 98 1HC8 RBF 98 0.332 7.337 -23.143 1463 2HC8 RBF 98 2HC8 RBF 98 -0.471 8.564 -22.138 1464 3HC8 RBF 98 3HC8 RBF 98 -1.136 6.919 -22.234 1465 HC9 RBF 98 HC9 RBF 98 -0.234 8.552 -19.713 1466 1HC1 RBF 98 1HC1 RBF 98 0.262 9.496 -16.278 1467 2HC1 RBF 98 2HC1 RBF 98 -0.826 8.727 -17.450 1468 HC2* RBF 98 HC2* RBF 98 -0.369 10.302 -18.995 1469 HO2* RBF 98 HO2* RBF 98 1.666 10.406 -19.854 1470 HC3* RBF 98 HC3* RBF 98 0.992 12.316 -18.214 1471 HO3* RBF 98 HO3* RBF 98 2.309 10.946 -16.737 1472 HC4* RBF 98 HC4* RBF 98 -1.190 11.206 -16.402 1473 HO4* RBF 98 HO4* RBF 98 -2.044 11.427 -18.425 1474 1HC5 RBF 98 1HC5 RBF 98 -1.595 13.648 -15.921 1475 2HC5 RBF 98 2HC5 RBF 98 -0.055 13.039 -15.278 1476 HO5* RBF 98 HO5* RBF 98 1.001 13.953 -17.112 1477 HN3 RBF 99 HN3 RBF 99 -18.638 -6.380 -12.556 1478 HC6 RBF 99 HC6 RBF 99 -17.830 -5.349 -19.384 1479 1HC7 RBF 99 1HC7 RBF 99 -17.165 -5.137 -21.616 1480 2HC7 RBF 99 2HC7 RBF 99 -17.053 -6.764 -22.321 1481 3HC7 RBF 99 3HC7 RBF 99 -15.587 -5.781 -22.117 1482 1HC8 RBF 99 1HC8 RBF 99 -15.189 -8.068 -22.188 1483 2HC8 RBF 99 2HC8 RBF 99 -14.349 -9.198 -21.104 1484 3HC8 RBF 99 3HC8 RBF 99 -13.693 -7.569 -21.370 1485 HC9 RBF 99 HC9 RBF 99 -14.503 -8.965 -18.684 1486 1HC1 RBF 99 1HC1 RBF 99 -14.884 -9.593 -15.161 1487 2HC1 RBF 99 2HC1 RBF 99 -13.838 -8.934 -16.435 1488 HC2* RBF 99 HC2* RBF 99 -14.344 -10.644 -17.813 1489 HO2* RBF 99 HO2* RBF 99 -16.403 -10.827 -18.591 1490 HC3* RBF 99 HC3* RBF 99 -15.667 -12.578 -16.809 1491 HO3* RBF 99 HO3* RBF 99 -16.940 -11.081 -15.419 1492 HC4* RBF 99 HC4* RBF 99 -13.431 -11.306 -15.177 1493 HO4* RBF 99 HO4* RBF 99 -12.643 -11.711 -17.200 1494 1HC5 RBF 99 1HC5 RBF 99 -13.001 -13.695 -14.489 1495 2HC5 RBF 99 2HC5 RBF 99 -14.522 -13.030 -13.855 1496 HO5* RBF 99 HO5* RBF 99 -15.635 -14.108 -15.562 Start of MODEL 5 1 1H MET 1 1HT MET 1 -15.522 -1.247 -29.860 2 2H MET 1 2HT MET 1 -13.841 -1.161 -30.086 3 3H MET 1 3HT MET 1 -14.590 -0.214 -28.891 4 HA MET 1 HA MET 1 -15.368 -2.563 -28.011 5 1HB MET 1 2HB MET 1 -12.821 -2.993 -29.608 6 2HB MET 1 1HB MET 1 -13.536 -4.183 -28.520 7 1HG MET 1 2HG MET 1 -15.602 -4.179 -29.871 8 2HG MET 1 1HG MET 1 -14.887 -2.992 -30.961 9 1HE MET 1 1HE MET 1 -14.788 -6.178 -29.262 10 2HE MET 1 2HE MET 1 -13.052 -6.446 -29.396 11 3HE MET 1 3HE MET 1 -14.160 -7.382 -30.395 12 H PHE 2 HN PHE 2 -14.137 -3.208 -26.038 13 HA PHE 2 HA PHE 2 -11.643 -1.974 -25.332 14 1HB PHE 2 2HB PHE 2 -12.494 -0.315 -23.758 15 2HB PHE 2 1HB PHE 2 -13.196 0.005 -25.342 16 HD1 PHE 2 HD1 PHE 2 -13.885 -1.907 -22.184 17 HD2 PHE 2 HD2 PHE 2 -15.541 0.247 -25.526 18 HE1 PHE 2 HE1 PHE 2 -16.159 -2.153 -21.224 19 HE2 PHE 2 HE2 PHE 2 -17.796 -0.022 -24.560 20 HZ PHE 2 HZ PHE 2 -18.114 -1.217 -22.424 21 H THR 3 HN THR 3 -10.973 -2.743 -23.219 22 HA THR 3 HA THR 3 -12.940 -4.250 -21.625 23 HB THR 3 HB THR 3 -11.739 -6.332 -21.816 24 HG1 THR 3 HG1 THR 3 -9.838 -4.859 -23.319 25 1HG2 THR 3 1HG2 THR 3 -13.218 -5.703 -23.745 26 2HG2 THR 3 2HG2 THR 3 -11.914 -6.803 -24.195 27 3HG2 THR 3 3HG2 THR 3 -11.795 -5.086 -24.584 28 H GLY 4 HN GLY 4 -9.576 -3.210 -22.115 29 1HA GLY 4 2HA GLY 4 -7.893 -2.704 -20.563 30 2HA GLY 4 1HA GLY 4 -9.194 -1.973 -19.620 31 H ILE 5 HN ILE 5 -9.403 -5.334 -20.464 32 HA ILE 5 HA ILE 5 -9.525 -6.032 -17.620 33 HB ILE 5 HB ILE 5 -9.633 -7.705 -20.155 34 1HG1 ILE 5 2HG1 ILE 5 -11.845 -6.505 -18.455 35 2HG1 ILE 5 1HG1 ILE 5 -11.350 -5.917 -20.042 36 1HG2 ILE 5 1HG2 ILE 5 -9.479 -8.486 -17.443 37 2HG2 ILE 5 2HG2 ILE 5 -9.906 -9.500 -18.822 38 3HG2 ILE 5 3HG2 ILE 5 -11.170 -8.676 -17.908 39 1HD1 ILE 5 1HD1 ILE 5 -12.963 -7.327 -20.815 40 2HD1 ILE 5 2HD1 ILE 5 -12.971 -8.280 -19.331 41 3HD1 ILE 5 3HD1 ILE 5 -11.742 -8.574 -20.560 42 H VAL 6 HN VAL 6 -7.920 -6.961 -16.422 43 HA VAL 6 HA VAL 6 -5.238 -6.881 -17.567 44 HB VAL 6 HB VAL 6 -6.590 -6.932 -14.924 45 1HG1 VAL 6 1HG1 VAL 6 -5.006 -8.821 -14.667 46 2HG1 VAL 6 2HG1 VAL 6 -4.505 -7.430 -13.707 47 3HG1 VAL 6 3HG1 VAL 6 -3.694 -7.789 -15.231 48 1HG2 VAL 6 1HG2 VAL 6 -4.193 -5.441 -14.947 49 2HG2 VAL 6 2HG2 VAL 6 -5.838 -4.821 -15.105 50 3HG2 VAL 6 3HG2 VAL 6 -4.910 -5.238 -16.544 51 H GLN 7 HN GLN 7 -3.864 -8.560 -17.924 52 HA GLN 7 HA GLN 7 -4.873 -11.250 -18.230 53 1HB GLN 7 2HB GLN 7 -2.100 -10.021 -18.240 54 2HB GLN 7 1HB GLN 7 -2.455 -11.667 -18.763 55 1HG GLN 7 2HG GLN 7 -3.667 -9.153 -19.953 56 2HG GLN 7 1HG GLN 7 -2.375 -10.107 -20.684 57 1HE2 GLN 7 1HE2 GLN 7 -3.211 -12.717 -20.354 58 2HE2 GLN 7 2HE2 GLN 7 -4.709 -12.968 -21.115 59 H GLY 8 HN GLY 8 -2.893 -9.606 -15.740 60 1HA GLY 8 2HA GLY 8 -3.279 -11.948 -13.949 61 2HA GLY 8 1HA GLY 8 -1.625 -11.574 -14.429 62 H THR 9 HN THR 9 -2.150 -11.461 -11.761 63 HA THR 9 HA THR 9 -2.651 -8.570 -11.173 64 HB THR 9 HB THR 9 -3.095 -9.645 -8.840 65 HG1 THR 9 HG1 THR 9 -3.911 -11.904 -9.455 66 1HG2 THR 9 1HG2 THR 9 -5.225 -10.737 -10.413 67 2HG2 THR 9 2HG2 THR 9 -4.680 -9.240 -11.171 68 3HG2 THR 9 3HG2 THR 9 -5.207 -9.235 -9.487 69 H ALA 10 HN ALA 10 -1.529 -7.897 -9.048 70 HA ALA 10 HA ALA 10 1.246 -8.995 -8.806 71 1HB ALA 10 1HB ALA 10 1.373 -6.173 -8.706 72 2HB ALA 10 2HB ALA 10 0.340 -6.550 -10.088 73 3HB ALA 10 3HB ALA 10 1.975 -7.212 -9.997 74 H LYS 11 HN LYS 11 2.157 -8.584 -6.730 75 HA LYS 11 HA LYS 11 0.186 -7.587 -4.695 76 1HB LYS 11 2HB LYS 11 0.945 -9.876 -4.390 77 2HB LYS 11 1HB LYS 11 2.625 -9.367 -4.524 78 1HG LYS 11 2HG LYS 11 2.449 -8.037 -2.501 79 2HG LYS 11 1HG LYS 11 0.722 -8.372 -2.390 80 1HD LYS 11 2HD LYS 11 1.042 -10.483 -1.584 81 2HD LYS 11 1HD LYS 11 2.506 -10.740 -2.538 82 1HE LYS 11 2HE LYS 11 3.714 -9.142 -1.002 83 2HE LYS 11 1HE LYS 11 2.261 -9.116 0.019 84 1HZ LYS 11 1HZ LYS 11 3.835 -10.844 0.722 85 2HZ LYS 11 2HZ LYS 11 3.721 -11.570 -0.810 86 3HZ LYS 11 3HZ LYS 11 2.361 -11.508 0.207 87 H LEU 12 HN LEU 12 0.619 -5.494 -4.104 88 HA LEU 12 HA LEU 12 3.132 -4.123 -4.404 89 1HB LEU 12 2HB LEU 12 0.657 -3.333 -3.896 90 2HB LEU 12 1HB LEU 12 1.127 -3.586 -2.232 91 HG LEU 12 HG LEU 12 2.954 -2.012 -2.437 92 1HD1 LEU 12 1HD1 LEU 12 2.348 -2.349 -5.337 93 2HD1 LEU 12 2HD1 LEU 12 3.904 -2.159 -4.530 94 3HD1 LEU 12 3HD1 LEU 12 2.881 -0.752 -4.813 95 1HD2 LEU 12 1HD2 LEU 12 0.200 -1.335 -2.895 96 2HD2 LEU 12 2HD2 LEU 12 1.212 -0.214 -3.809 97 3HD2 LEU 12 3HD2 LEU 12 1.436 -0.386 -2.067 98 H VAL 13 HN VAL 13 4.938 -4.434 -3.217 99 HA VAL 13 HA VAL 13 4.664 -5.795 -0.563 100 HB VAL 13 HB VAL 13 5.633 -7.349 -2.033 101 1HG1 VAL 13 1HG1 VAL 13 6.666 -4.959 -3.378 102 2HG1 VAL 13 2HG1 VAL 13 6.217 -6.529 -4.050 103 3HG1 VAL 13 3HG1 VAL 13 7.809 -6.299 -3.322 104 1HG2 VAL 13 1HG2 VAL 13 7.626 -7.783 -0.982 105 2HG2 VAL 13 2HG2 VAL 13 7.082 -6.468 0.059 106 3HG2 VAL 13 3HG2 VAL 13 8.229 -6.146 -1.241 107 H SER 14 HN SER 14 6.297 -3.349 -2.495 108 HA SER 14 HA SER 14 7.142 -2.029 0.055 109 1HB SER 14 2HB SER 14 8.806 -3.637 -1.554 110 2HB SER 14 1HB SER 14 9.287 -1.975 -1.880 111 HG SER 14 HG SER 14 9.553 -1.666 0.336 112 H ILE 15 HN ILE 15 7.361 0.221 -0.136 113 HA ILE 15 HA ILE 15 6.811 1.395 -2.846 114 HB ILE 15 HB ILE 15 6.560 2.775 -0.165 115 1HG1 ILE 15 2HG1 ILE 15 4.533 1.126 -1.695 116 2HG1 ILE 15 1HG1 ILE 15 5.120 0.861 -0.055 117 1HG2 ILE 15 1HG2 ILE 15 6.479 4.422 -1.792 118 2HG2 ILE 15 2HG2 ILE 15 4.773 3.968 -1.752 119 3HG2 ILE 15 3HG2 ILE 15 5.826 3.331 -3.013 120 1HD1 ILE 15 1HD1 ILE 15 4.170 3.493 -0.037 121 2HD1 ILE 15 2HD1 ILE 15 3.374 2.089 0.673 122 3HD1 ILE 15 3HD1 ILE 15 2.970 2.593 -0.967 123 H ASP 16 HN ASP 16 8.347 2.737 -3.678 124 HA ASP 16 HA ASP 16 10.704 3.431 -1.979 125 1HB ASP 16 2HB ASP 16 10.295 2.870 -4.907 126 2HB ASP 16 1HB ASP 16 11.689 3.810 -4.372 127 H GLU 17 HN GLU 17 10.498 5.522 -1.271 128 HA GLU 17 HA GLU 17 8.891 7.422 -2.909 129 1HB GLU 17 2HB GLU 17 9.809 7.305 -0.021 130 2HB GLU 17 1HB GLU 17 8.922 8.674 -0.694 131 1HG GLU 17 2HG GLU 17 7.069 7.175 -1.321 132 2HG GLU 17 1HG GLU 17 7.953 5.799 -0.662 133 H LYS 18 HN LYS 18 10.161 8.645 -4.275 134 HA LYS 18 HA LYS 18 12.758 9.694 -3.195 135 1HB LYS 18 2HB LYS 18 12.031 9.601 -6.118 136 2HB LYS 18 1HB LYS 18 13.625 9.518 -5.372 137 1HG LYS 18 2HG LYS 18 11.529 7.333 -5.164 138 2HG LYS 18 1HG LYS 18 12.866 7.324 -6.316 139 1HD LYS 18 2HD LYS 18 13.164 7.450 -3.301 140 2HD LYS 18 1HD LYS 18 13.407 6.008 -4.284 141 1HE LYS 18 2HE LYS 18 15.228 7.154 -5.517 142 2HE LYS 18 1HE LYS 18 14.999 8.589 -4.498 143 1HZ LYS 18 1HZ LYS 18 15.343 7.179 -2.540 144 2HZ LYS 18 2HZ LYS 18 16.708 7.187 -3.552 145 3HZ LYS 18 3HZ LYS 18 15.658 5.851 -3.547 146 HA PRO 19 HA PRO 19 10.653 13.589 -3.064 147 1HB PRO 19 2HB PRO 19 13.019 15.084 -3.466 148 2HB PRO 19 1HB PRO 19 12.321 14.625 -1.902 149 1HG PRO 19 2HG PRO 19 14.534 13.373 -3.425 150 2HG PRO 19 1HG PRO 19 14.288 13.495 -1.676 151 1HD PRO 19 2HD PRO 19 13.907 11.190 -2.999 152 2HD PRO 19 1HD PRO 19 12.893 11.650 -1.610 153 H ASN 20 HN ASN 20 12.951 12.684 -5.584 154 HA ASN 20 HA ASN 20 12.077 14.700 -7.510 155 1HB ASN 20 2HB ASN 20 13.398 12.032 -8.053 156 2HB ASN 20 1HB ASN 20 13.567 13.533 -8.966 157 1HD2 ASN 20 1HD2 ASN 20 14.932 11.660 -6.437 158 2HD2 ASN 20 2HD2 ASN 20 16.010 12.824 -5.844 159 H PHE 21 HN PHE 21 11.326 11.280 -6.848 160 HA PHE 21 HA PHE 21 8.765 11.537 -8.309 161 1HB PHE 21 2HB PHE 21 10.957 9.599 -9.126 162 2HB PHE 21 1HB PHE 21 9.359 9.720 -9.861 163 HD1 PHE 21 HD1 PHE 21 8.715 11.727 -11.167 164 HD2 PHE 21 HD2 PHE 21 12.683 11.231 -9.589 165 HE1 PHE 21 HE1 PHE 21 9.537 13.522 -12.671 166 HE2 PHE 21 HE2 PHE 21 13.506 13.026 -11.093 167 HZ PHE 21 HZ PHE 21 11.933 14.171 -12.633 168 H ARG 22 HN ARG 22 7.297 9.833 -7.737 169 HA ARG 22 HA ARG 22 8.087 8.273 -5.344 170 1HB ARG 22 2HB ARG 22 5.988 9.601 -5.406 171 2HB ARG 22 1HB ARG 22 5.427 8.609 -6.745 172 1HG ARG 22 2HG ARG 22 5.464 6.615 -5.361 173 2HG ARG 22 1HG ARG 22 6.168 7.522 -4.021 174 1HD ARG 22 2HD ARG 22 4.151 8.937 -3.899 175 2HD ARG 22 1HD ARG 22 3.433 8.034 -5.248 176 HE ARG 22 HE ARG 22 4.084 6.015 -3.540 177 1HH1 ARG 22 1HH1 ARG 22 2.487 9.053 -3.100 178 2HH1 ARG 22 2HH1 ARG 22 1.548 8.505 -1.754 179 1HH2 ARG 22 1HH2 ARG 22 2.856 5.298 -1.790 180 2HH2 ARG 22 2HH2 ARG 22 1.752 6.387 -1.016 181 H THR 23 HN THR 23 8.188 6.074 -5.351 182 HA THR 23 HA THR 23 7.916 4.676 -7.985 183 HB THR 23 HB THR 23 10.038 4.452 -5.822 184 HG1 THR 23 HG1 THR 23 10.258 5.409 -8.478 185 1HG2 THR 23 1HG2 THR 23 10.906 3.299 -8.241 186 2HG2 THR 23 2HG2 THR 23 9.267 2.697 -7.991 187 3HG2 THR 23 3HG2 THR 23 10.494 2.453 -6.749 188 H HIS 24 HN HIS 24 6.963 2.617 -7.866 189 HA HIS 24 HA HIS 24 6.395 1.555 -5.124 190 1HB HIS 24 2HB HIS 24 4.652 2.476 -7.273 191 2HB HIS 24 1HB HIS 24 4.265 0.836 -6.749 192 HD1 HIS 24 HD1 HIS 24 3.094 3.994 -6.015 193 HD2 HIS 24 HD2 HIS 24 4.709 1.044 -3.555 194 HE1 HIS 24 HE1 HIS 24 2.354 4.540 -3.653 195 H VAL 25 HN VAL 25 6.600 -0.689 -4.918 196 HA VAL 25 HA VAL 25 7.354 -2.181 -7.405 197 HB VAL 25 HB VAL 25 8.308 -2.692 -4.591 198 1HG1 VAL 25 1HG1 VAL 25 8.558 -4.506 -6.273 199 2HG1 VAL 25 2HG1 VAL 25 10.114 -3.890 -5.720 200 3HG1 VAL 25 3HG1 VAL 25 9.483 -3.402 -7.292 201 1HG2 VAL 25 1HG2 VAL 25 9.155 -0.651 -6.583 202 2HG2 VAL 25 2HG2 VAL 25 10.445 -1.532 -5.764 203 3HG2 VAL 25 3HG2 VAL 25 9.267 -0.616 -4.824 204 H VAL 26 HN VAL 26 6.230 -4.004 -7.791 205 HA VAL 26 HA VAL 26 4.426 -5.061 -5.639 206 HB VAL 26 HB VAL 26 2.997 -5.747 -7.545 207 1HG1 VAL 26 1HG1 VAL 26 3.158 -3.116 -8.532 208 2HG1 VAL 26 2HG1 VAL 26 3.698 -3.019 -6.855 209 3HG1 VAL 26 3HG1 VAL 26 2.114 -3.695 -7.233 210 1HG2 VAL 26 1HG2 VAL 26 4.284 -4.239 -9.631 211 2HG2 VAL 26 2HG2 VAL 26 3.875 -5.956 -9.608 212 3HG2 VAL 26 3HG2 VAL 26 5.429 -5.412 -8.978 213 H GLU 27 HN GLU 27 3.913 -7.486 -6.116 214 HA GLU 27 HA GLU 27 6.464 -8.927 -6.649 215 1HB GLU 27 2HB GLU 27 4.799 -8.905 -4.519 216 2HB GLU 27 1HB GLU 27 4.032 -10.161 -5.482 217 1HG GLU 27 2HG GLU 27 5.949 -11.539 -5.438 218 2HG GLU 27 1HG GLU 27 6.995 -10.209 -4.942 219 H LEU 28 HN LEU 28 6.527 -9.742 -8.693 220 HA LEU 28 HA LEU 28 4.120 -9.961 -10.301 221 1HB LEU 28 2HB LEU 28 6.661 -9.289 -10.754 222 2HB LEU 28 1HB LEU 28 6.801 -11.006 -11.116 223 HG LEU 28 HG LEU 28 5.059 -10.847 -12.806 224 1HD1 LEU 28 1HD1 LEU 28 4.701 -8.130 -11.581 225 2HD1 LEU 28 2HD1 LEU 28 3.479 -9.310 -12.054 226 3HD1 LEU 28 3HD1 LEU 28 4.305 -8.357 -13.285 227 1HD2 LEU 28 1HD2 LEU 28 6.988 -8.515 -13.062 228 2HD2 LEU 28 2HD2 LEU 28 6.153 -9.317 -14.392 229 3HD2 LEU 28 3HD2 LEU 28 7.370 -10.189 -13.460 230 HA PRO 29 HA PRO 29 3.388 -14.204 -9.123 231 1HB PRO 29 2HB PRO 29 1.407 -14.650 -10.974 232 2HB PRO 29 1HB PRO 29 1.145 -13.861 -9.410 233 1HG PRO 29 2HG PRO 29 1.437 -12.657 -12.109 234 2HG PRO 29 1HG PRO 29 0.408 -12.164 -10.756 235 1HD PRO 29 2HD PRO 29 2.713 -10.890 -11.412 236 2HD PRO 29 1HD PRO 29 2.080 -10.961 -9.754 237 H ASP 30 HN ASP 30 3.120 -16.327 -10.481 238 HA ASP 30 HA ASP 30 5.512 -16.760 -11.907 239 1HB ASP 30 2HB ASP 30 4.163 -18.471 -10.764 240 2HB ASP 30 1HB ASP 30 2.885 -18.275 -11.964 241 H HIS 31 HN HIS 31 2.225 -16.126 -13.189 242 HA HIS 31 HA HIS 31 3.206 -16.498 -15.935 243 1HB HIS 31 2HB HIS 31 0.855 -16.276 -16.507 244 2HB HIS 31 1HB HIS 31 0.991 -17.303 -15.086 245 HD1 HIS 31 HD1 HIS 31 1.598 -14.378 -13.447 246 HD2 HIS 31 HD2 HIS 31 -1.813 -15.729 -15.417 247 HE1 HIS 31 HE1 HIS 31 -0.352 -13.064 -12.496 248 H MET 32 HN MET 32 3.388 -13.973 -13.819 249 HA MET 32 HA MET 32 3.366 -11.976 -16.060 250 1HB MET 32 2HB MET 32 3.027 -11.702 -13.062 251 2HB MET 32 1HB MET 32 3.280 -10.320 -14.128 252 1HG MET 32 2HG MET 32 1.018 -12.324 -14.360 253 2HG MET 32 1HG MET 32 0.873 -10.690 -13.716 254 1HE MET 32 1HE MET 32 1.215 -8.314 -16.486 255 2HE MET 32 2HE MET 32 2.733 -8.874 -15.789 256 3HE MET 32 3HE MET 32 1.315 -8.690 -14.760 257 H LEU 33 HN LEU 33 5.255 -13.790 -13.846 258 HA LEU 33 HA LEU 33 7.548 -12.036 -13.610 259 1HB LEU 33 2HB LEU 33 6.920 -14.951 -13.222 260 2HB LEU 33 1HB LEU 33 8.592 -14.398 -13.124 261 HG LEU 33 HG LEU 33 6.409 -13.013 -11.564 262 1HD1 LEU 33 1HD1 LEU 33 7.396 -14.486 -9.641 263 2HD1 LEU 33 2HD1 LEU 33 7.872 -15.572 -10.947 264 3HD1 LEU 33 3HD1 LEU 33 6.169 -15.183 -10.699 265 1HD2 LEU 33 1HD2 LEU 33 8.654 -11.956 -11.878 266 2HD2 LEU 33 2HD2 LEU 33 9.383 -13.358 -11.093 267 3HD2 LEU 33 3HD2 LEU 33 8.286 -12.311 -10.191 268 H ASP 34 HN ASP 34 6.644 -14.646 -15.855 269 HA ASP 34 HA ASP 34 9.164 -14.544 -17.315 270 1HB ASP 34 2HB ASP 34 7.744 -16.555 -17.083 271 2HB ASP 34 1HB ASP 34 6.447 -15.738 -17.957 272 H GLY 35 HN GLY 35 9.657 -13.144 -18.964 273 1HA GLY 35 2HA GLY 35 9.127 -12.086 -21.065 274 2HA GLY 35 1HA GLY 35 7.433 -12.036 -20.584 275 H LEU 36 HN LEU 36 7.690 -10.824 -18.041 276 HA LEU 36 HA LEU 36 7.717 -8.084 -18.832 277 1HB LEU 36 2HB LEU 36 6.511 -9.284 -16.908 278 2HB LEU 36 1HB LEU 36 8.026 -9.141 -16.015 279 HG LEU 36 HG LEU 36 6.882 -6.705 -17.340 280 1HD1 LEU 36 1HD1 LEU 36 6.120 -7.358 -14.517 281 2HD1 LEU 36 2HD1 LEU 36 5.173 -8.053 -15.832 282 3HD1 LEU 36 3HD1 LEU 36 5.314 -6.302 -15.676 283 1HD2 LEU 36 1HD2 LEU 36 9.027 -7.365 -15.549 284 2HD2 LEU 36 2HD2 LEU 36 7.909 -6.284 -14.718 285 3HD2 LEU 36 3HD2 LEU 36 8.631 -5.796 -16.252 286 H GLU 37 HN GLU 37 9.232 -6.434 -18.452 287 HA GLU 37 HA GLU 37 11.857 -7.116 -17.235 288 1HB GLU 37 2HB GLU 37 13.009 -6.408 -19.303 289 2HB GLU 37 1HB GLU 37 11.922 -7.757 -19.639 290 1HG GLU 37 2HG GLU 37 10.192 -6.170 -20.413 291 2HG GLU 37 1HG GLU 37 11.286 -4.826 -20.091 292 H THR 38 HN THR 38 13.194 -5.077 -16.997 293 HA THR 38 HA THR 38 11.614 -2.880 -16.026 294 HB THR 38 HB THR 38 14.163 -1.926 -16.426 295 HG1 THR 38 HG1 THR 38 15.394 -3.542 -16.870 296 1HG2 THR 38 1HG2 THR 38 14.511 -3.070 -14.077 297 2HG2 THR 38 2HG2 THR 38 12.800 -3.459 -14.252 298 3HG2 THR 38 3HG2 THR 38 13.328 -1.778 -14.270 299 H GLY 39 HN GLY 39 11.336 -0.779 -16.977 300 1HA GLY 39 2HA GLY 39 11.205 0.793 -18.750 301 2HA GLY 39 1HA GLY 39 12.184 -0.283 -19.743 302 H ALA 40 HN ALA 40 9.971 -2.301 -18.480 303 HA ALA 40 HA ALA 40 8.334 -2.400 -20.898 304 1HB ALA 40 1HB ALA 40 8.985 -4.419 -19.722 305 2HB ALA 40 2HB ALA 40 7.243 -4.235 -19.523 306 3HB ALA 40 3HB ALA 40 8.332 -3.798 -18.204 307 H SER 41 HN SER 41 5.989 -1.985 -20.923 308 HA SER 41 HA SER 41 5.179 0.032 -18.880 309 1HB SER 41 2HB SER 41 3.208 -0.092 -20.762 310 2HB SER 41 1HB SER 41 4.621 0.944 -20.887 311 HG SER 41 HG SER 41 3.929 -0.954 -22.525 312 H VAL 42 HN VAL 42 4.262 -0.967 -17.125 313 HA VAL 42 HA VAL 42 2.406 -3.259 -17.537 314 HB VAL 42 HB VAL 42 3.987 -2.070 -15.288 315 1HG1 VAL 42 1HG1 VAL 42 1.231 -3.104 -15.012 316 2HG1 VAL 42 2HG1 VAL 42 2.152 -2.032 -13.956 317 3HG1 VAL 42 3HG1 VAL 42 2.421 -3.774 -13.894 318 1HG2 VAL 42 1HG2 VAL 42 4.944 -4.106 -15.348 319 2HG2 VAL 42 2HG2 VAL 42 3.984 -4.433 -16.792 320 3HG2 VAL 42 3HG2 VAL 42 3.371 -4.892 -15.201 321 H ALA 43 HN ALA 43 0.225 -2.904 -17.442 322 HA ALA 43 HA ALA 43 -0.749 -0.197 -16.655 323 1HB ALA 43 1HB ALA 43 -2.894 -1.113 -17.634 324 2HB ALA 43 2HB ALA 43 -2.009 -2.583 -18.046 325 3HB ALA 43 3HB ALA 43 -1.559 -1.046 -18.783 326 H HIS 44 HN HIS 44 -1.347 -0.037 -14.532 327 HA HIS 44 HA HIS 44 -1.963 -2.477 -12.970 328 1HB HIS 44 2HB HIS 44 -1.353 0.412 -12.461 329 2HB HIS 44 1HB HIS 44 -2.232 -0.481 -11.220 330 HD1 HIS 44 HD1 HIS 44 0.389 -2.151 -13.386 331 HD2 HIS 44 HD2 HIS 44 -0.008 -0.695 -9.488 332 HE1 HIS 44 HE1 HIS 44 2.413 -2.967 -12.097 333 HE2 HIS 44 HE2 HIS 44 2.179 -2.082 -9.737 334 H ASN 45 HN ASN 45 -3.975 -3.176 -13.436 335 HA ASN 45 HA ASN 45 -6.275 -3.222 -13.827 336 1HB ASN 45 2HB ASN 45 -5.920 -1.806 -11.563 337 2HB ASN 45 1HB ASN 45 -6.656 -0.557 -12.572 338 1HD2 ASN 45 1HD2 ASN 45 -7.280 -3.505 -10.820 339 2HD2 ASN 45 2HD2 ASN 45 -8.911 -3.662 -11.250 340 H GLY 46 HN GLY 46 -4.217 -1.342 -15.426 341 1HA GLY 46 2HA GLY 46 -4.982 -0.936 -17.755 342 2HA GLY 46 1HA GLY 46 -6.406 -0.158 -17.074 343 H CYS 47 HN CYS 47 -3.905 0.816 -15.114 344 HA CYS 47 HA CYS 47 -3.582 3.354 -16.646 345 1HB CYS 47 2HB CYS 47 -4.235 3.290 -14.204 346 2HB CYS 47 1HB CYS 47 -2.651 2.598 -13.853 347 HG CYS 47 HG CYS 47 -3.099 5.484 -14.088 348 H CYS 48 HN CYS 48 -1.924 3.192 -18.122 349 HA CYS 48 HA CYS 48 0.143 1.212 -17.897 350 1HB CYS 48 2HB CYS 48 0.984 2.392 -19.955 351 2HB CYS 48 1HB CYS 48 -0.732 1.985 -20.026 352 HG CYS 48 HG CYS 48 0.084 4.658 -20.541 353 H LEU 49 HN LEU 49 2.069 1.337 -16.884 354 HA LEU 49 HA LEU 49 3.452 3.947 -16.662 355 1HB LEU 49 2HB LEU 49 3.932 3.351 -14.225 356 2HB LEU 49 1HB LEU 49 2.264 3.802 -14.575 357 HG LEU 49 HG LEU 49 2.827 0.931 -14.920 358 1HD1 LEU 49 1HD1 LEU 49 3.855 0.569 -12.950 359 2HD1 LEU 49 2HD1 LEU 49 2.451 1.249 -12.124 360 3HD1 LEU 49 3HD1 LEU 49 3.800 2.294 -12.582 361 1HD2 LEU 49 1HD2 LEU 49 0.781 1.748 -13.000 362 2HD2 LEU 49 2HD2 LEU 49 0.596 0.853 -14.510 363 3HD2 LEU 49 3HD2 LEU 49 0.627 2.617 -14.527 364 H THR 50 HN THR 50 5.804 3.610 -16.258 365 HA THR 50 HA THR 50 6.639 1.062 -17.532 366 HB THR 50 HB THR 50 7.997 3.741 -17.112 367 HG1 THR 50 HG1 THR 50 7.363 4.141 -19.133 368 1HG2 THR 50 1HG2 THR 50 8.953 1.132 -18.165 369 2HG2 THR 50 2HG2 THR 50 9.863 2.449 -17.426 370 3HG2 THR 50 3HG2 THR 50 9.375 2.555 -19.117 371 H VAL 51 HN VAL 51 8.382 -0.177 -16.743 372 HA VAL 51 HA VAL 51 8.566 -0.353 -13.846 373 HB VAL 51 HB VAL 51 10.142 -1.759 -16.024 374 1HG1 VAL 51 1HG1 VAL 51 9.772 -2.116 -13.116 375 2HG1 VAL 51 2HG1 VAL 51 11.108 -2.616 -14.152 376 3HG1 VAL 51 3HG1 VAL 51 9.638 -3.587 -14.078 377 1HG2 VAL 51 1HG2 VAL 51 7.307 -1.978 -15.148 378 2HG2 VAL 51 2HG2 VAL 51 8.171 -3.481 -15.472 379 3HG2 VAL 51 3HG2 VAL 51 8.026 -2.257 -16.734 380 H THR 52 HN THR 52 9.975 0.879 -12.660 381 HA THR 52 HA THR 52 12.284 2.253 -13.800 382 HB THR 52 HB THR 52 12.595 2.955 -11.488 383 HG1 THR 52 HG1 THR 52 11.629 1.909 -9.834 384 1HG2 THR 52 1HG2 THR 52 9.775 2.783 -12.505 385 2HG2 THR 52 2HG2 THR 52 10.844 4.184 -12.408 386 3HG2 THR 52 3HG2 THR 52 10.108 3.532 -10.942 387 H GLU 53 HN GLU 53 11.774 -0.583 -11.685 388 HA GLU 53 HA GLU 53 14.333 -1.750 -12.603 389 1HB GLU 53 2HB GLU 53 14.977 -0.123 -10.867 390 2HB GLU 53 1HB GLU 53 13.845 -0.871 -9.740 391 1HG GLU 53 2HG GLU 53 15.091 -2.996 -9.895 392 2HG GLU 53 1HG GLU 53 16.225 -2.248 -11.020 393 H ILE 54 HN ILE 54 14.475 -3.993 -12.055 394 HA ILE 54 HA ILE 54 11.960 -5.194 -10.930 395 HB ILE 54 HB ILE 54 14.226 -6.214 -12.679 396 1HG1 ILE 54 2HG1 ILE 54 11.399 -6.538 -13.446 397 2HG1 ILE 54 1HG1 ILE 54 11.927 -4.861 -13.322 398 1HG2 ILE 54 1HG2 ILE 54 12.210 -7.659 -11.036 399 2HG2 ILE 54 2HG2 ILE 54 13.809 -8.180 -11.570 400 3HG2 ILE 54 3HG2 ILE 54 12.444 -8.241 -12.684 401 1HD1 ILE 54 1HD1 ILE 54 12.269 -6.337 -15.562 402 2HD1 ILE 54 2HD1 ILE 54 13.775 -6.720 -14.726 403 3HD1 ILE 54 3HD1 ILE 54 13.374 -5.043 -15.098 404 H ASN 55 HN ASN 55 12.071 -6.187 -8.996 405 HA ASN 55 HA ASN 55 14.753 -6.481 -7.701 406 1HB ASN 55 2HB ASN 55 11.940 -5.956 -6.754 407 2HB ASN 55 1HB ASN 55 13.151 -6.578 -5.633 408 1HD2 ASN 55 1HD2 ASN 55 12.061 -3.739 -7.333 409 2HD2 ASN 55 2HD2 ASN 55 13.272 -2.689 -6.774 410 H GLY 56 HN GLY 56 14.619 -8.529 -9.245 411 1HA GLY 56 2HA GLY 56 14.594 -10.903 -9.210 412 2HA GLY 56 1HA GLY 56 13.877 -10.843 -7.598 413 H ASN 57 HN ASN 57 11.777 -11.490 -7.518 414 HA ASN 57 HA ASN 57 10.195 -11.697 -9.976 415 1HB ASN 57 2HB ASN 57 9.034 -13.194 -8.717 416 2HB ASN 57 1HB ASN 57 10.307 -12.979 -7.538 417 1HD2 ASN 57 1HD2 ASN 57 7.300 -11.384 -8.550 418 2HD2 ASN 57 2HD2 ASN 57 6.786 -10.952 -6.991 419 H HIS 58 HN HIS 58 10.732 -9.397 -7.446 420 HA HIS 58 HA HIS 58 8.192 -8.012 -7.593 421 1HB HIS 58 2HB HIS 58 10.953 -7.507 -6.525 422 2HB HIS 58 1HB HIS 58 9.767 -6.205 -6.517 423 HD1 HIS 58 HD1 HIS 58 10.996 -8.410 -4.189 424 HD2 HIS 58 HD2 HIS 58 7.090 -7.688 -5.467 425 HE1 HIS 58 HE1 HIS 58 9.468 -9.219 -2.340 426 H VAL 59 HN VAL 59 7.929 -5.824 -8.475 427 HA VAL 59 HA VAL 59 10.032 -4.950 -10.363 428 HB VAL 59 HB VAL 59 7.129 -5.477 -11.019 429 1HG1 VAL 59 1HG1 VAL 59 9.089 -3.573 -12.171 430 2HG1 VAL 59 2HG1 VAL 59 7.325 -3.512 -12.180 431 3HG1 VAL 59 3HG1 VAL 59 8.181 -4.545 -13.328 432 1HG2 VAL 59 1HG2 VAL 59 8.852 -6.404 -13.016 433 2HG2 VAL 59 2HG2 VAL 59 8.094 -7.389 -11.765 434 3HG2 VAL 59 3HG2 VAL 59 9.719 -6.741 -11.513 435 H SER 60 HN SER 60 10.471 -2.887 -9.853 436 HA SER 60 HA SER 60 8.556 -1.203 -8.358 437 1HB SER 60 2HB SER 60 11.319 -0.505 -9.361 438 2HB SER 60 1HB SER 60 10.485 0.126 -7.947 439 HG SER 60 HG SER 60 12.029 -2.084 -8.211 440 H PHE 61 HN PHE 61 7.292 0.315 -9.451 441 HA PHE 61 HA PHE 61 8.168 1.115 -12.202 442 1HB PHE 61 2HB PHE 61 5.575 1.383 -12.477 443 2HB PHE 61 1HB PHE 61 6.268 -0.236 -12.526 444 HD1 PHE 61 HD1 PHE 61 6.247 -1.655 -10.439 445 HD2 PHE 61 HD2 PHE 61 4.038 2.018 -10.755 446 HE1 PHE 61 HE1 PHE 61 4.853 -2.328 -8.505 447 HE2 PHE 61 HE2 PHE 61 2.637 1.342 -8.822 448 HZ PHE 61 HZ PHE 61 3.045 -0.833 -7.695 449 H ASP 62 HN ASP 62 7.616 3.318 -12.795 450 HA ASP 62 HA ASP 62 7.980 5.079 -10.472 451 1HB ASP 62 2HB ASP 62 8.618 6.688 -12.168 452 2HB ASP 62 1HB ASP 62 9.282 5.127 -12.638 453 H LEU 63 HN LEU 63 6.791 6.954 -10.042 454 HA LEU 63 HA LEU 63 4.129 7.319 -11.281 455 1HB LEU 63 2HB LEU 63 4.736 5.685 -8.972 456 2HB LEU 63 1HB LEU 63 3.715 7.030 -8.494 457 HG LEU 63 HG LEU 63 2.860 5.778 -11.003 458 1HD1 LEU 63 1HD1 LEU 63 2.331 3.644 -10.241 459 2HD1 LEU 63 2HD1 LEU 63 2.367 4.130 -8.547 460 3HD1 LEU 63 3HD1 LEU 63 3.879 3.910 -9.434 461 1HD2 LEU 63 1HD2 LEU 63 1.680 7.415 -9.263 462 2HD2 LEU 63 2HD2 LEU 63 1.223 5.897 -8.492 463 3HD2 LEU 63 3HD2 LEU 63 0.733 6.222 -10.155 464 H MET 64 HN MET 64 3.885 9.570 -11.298 465 HA MET 64 HA MET 64 5.584 11.236 -9.570 466 1HB MET 64 2HB MET 64 3.413 11.759 -11.610 467 2HB MET 64 1HB MET 64 4.213 13.061 -10.735 468 1HG MET 64 2HG MET 64 6.391 12.284 -11.574 469 2HG MET 64 1HG MET 64 5.591 10.982 -12.451 470 1HE MET 64 1HE MET 64 5.760 15.432 -13.271 471 2HE MET 64 2HE MET 64 6.225 14.525 -11.834 472 3HE MET 64 3HE MET 64 4.536 14.960 -12.085 473 H LYS 65 HN LYS 65 4.825 12.511 -7.820 474 HA LYS 65 HA LYS 65 2.698 11.489 -6.219 475 1HB LYS 65 2HB LYS 65 4.608 12.841 -5.419 476 2HB LYS 65 1HB LYS 65 4.000 14.232 -6.316 477 1HG LYS 65 2HG LYS 65 1.999 14.316 -4.959 478 2HG LYS 65 1HG LYS 65 2.422 12.800 -4.163 479 1HD LYS 65 2HD LYS 65 2.991 14.719 -2.727 480 2HD LYS 65 1HD LYS 65 4.449 13.861 -3.226 481 1HE LYS 65 2HE LYS 65 5.138 15.574 -4.639 482 2HE LYS 65 1HE LYS 65 3.480 16.140 -4.926 483 1HZ LYS 65 1HZ LYS 65 4.638 16.214 -2.216 484 2HZ LYS 65 2HZ LYS 65 3.361 17.132 -2.856 485 3HZ LYS 65 3HZ LYS 65 4.963 17.468 -3.310 486 H GLU 66 HN GLU 66 2.834 14.366 -8.351 487 HA GLU 66 HA GLU 66 0.066 15.083 -7.943 488 1HB GLU 66 2HB GLU 66 1.840 16.639 -8.670 489 2HB GLU 66 1HB GLU 66 2.040 15.720 -10.163 490 1HG GLU 66 2HG GLU 66 -0.296 16.216 -10.786 491 2HG GLU 66 1HG GLU 66 -0.497 17.139 -9.296 492 H THR 67 HN THR 67 1.739 13.169 -10.478 493 HA THR 67 HA THR 67 -0.647 12.724 -12.066 494 HB THR 67 HB THR 67 1.770 10.929 -11.697 495 HG1 THR 67 HG1 THR 67 1.402 13.372 -13.021 496 1HG2 THR 67 1HG2 THR 67 0.808 9.726 -13.328 497 2HG2 THR 67 2HG2 THR 67 0.868 11.138 -14.384 498 3HG2 THR 67 3HG2 THR 67 -0.550 10.852 -13.376 499 H LEU 68 HN LEU 68 0.788 11.181 -9.250 500 HA LEU 68 HA LEU 68 -0.800 8.829 -9.096 501 1HB LEU 68 2HB LEU 68 1.257 9.320 -7.822 502 2HB LEU 68 1HB LEU 68 0.426 10.625 -6.979 503 HG LEU 68 HG LEU 68 -1.298 8.622 -6.465 504 1HD1 LEU 68 1HD1 LEU 68 1.249 7.380 -7.313 505 2HD1 LEU 68 2HD1 LEU 68 -0.369 6.682 -7.229 506 3HD1 LEU 68 3HD1 LEU 68 0.620 6.795 -5.772 507 1HD2 LEU 68 1HD2 LEU 68 0.469 10.173 -5.059 508 2HD2 LEU 68 2HD2 LEU 68 1.077 8.553 -4.710 509 3HD2 LEU 68 3HD2 LEU 68 -0.594 8.971 -4.325 510 H ARG 69 HN ARG 69 -1.275 12.108 -7.727 511 HA ARG 69 HA ARG 69 -3.850 11.510 -6.533 512 1HB ARG 69 2HB ARG 69 -2.363 13.352 -5.836 513 2HB ARG 69 1HB ARG 69 -2.562 14.115 -7.414 514 1HG ARG 69 2HG ARG 69 -4.070 15.144 -5.757 515 2HG ARG 69 1HG ARG 69 -4.992 14.314 -7.011 516 1HD ARG 69 2HD ARG 69 -5.254 12.347 -5.529 517 2HD ARG 69 1HD ARG 69 -4.334 13.186 -4.264 518 HE ARG 69 HE ARG 69 -6.376 14.956 -5.083 519 1HH1 ARG 69 1HH1 ARG 69 -6.014 11.846 -3.615 520 2HH1 ARG 69 2HH1 ARG 69 -7.497 11.951 -2.731 521 1HH2 ARG 69 1HH2 ARG 69 -8.313 15.097 -3.935 522 2HH2 ARG 69 2HH2 ARG 69 -8.798 13.786 -2.911 523 H ILE 70 HN ILE 70 -2.859 12.936 -9.648 524 HA ILE 70 HA ILE 70 -5.450 13.686 -10.553 525 HB ILE 70 HB ILE 70 -2.831 13.912 -11.324 526 1HG1 ILE 70 2HG1 ILE 70 -5.244 14.407 -13.080 527 2HG1 ILE 70 1HG1 ILE 70 -4.721 15.460 -11.766 528 1HG2 ILE 70 1HG2 ILE 70 -2.668 13.010 -13.626 529 2HG2 ILE 70 2HG2 ILE 70 -4.187 12.149 -13.378 530 3HG2 ILE 70 3HG2 ILE 70 -2.768 11.730 -12.418 531 1HD1 ILE 70 1HD1 ILE 70 -3.867 16.309 -13.900 532 2HD1 ILE 70 2HD1 ILE 70 -3.106 14.753 -14.234 533 3HD1 ILE 70 3HD1 ILE 70 -2.529 15.749 -12.898 534 H THR 71 HN THR 71 -3.550 10.737 -10.959 535 HA THR 71 HA THR 71 -5.732 9.313 -12.321 536 HB THR 71 HB THR 71 -4.106 7.540 -12.439 537 HG1 THR 71 HG1 THR 71 -2.341 8.901 -10.751 538 1HG2 THR 71 1HG2 THR 71 -3.473 10.199 -13.209 539 2HG2 THR 71 2HG2 THR 71 -2.888 8.696 -13.921 540 3HG2 THR 71 3HG2 THR 71 -1.988 9.459 -12.614 541 H ASN 72 HN ASN 72 -5.855 6.927 -11.169 542 HA ASN 72 HA ASN 72 -6.497 7.402 -8.289 543 1HB ASN 72 2HB ASN 72 -8.443 6.652 -9.359 544 2HB ASN 72 1HB ASN 72 -7.548 5.650 -10.490 545 1HD2 ASN 72 1HD2 ASN 72 -8.644 3.672 -10.027 546 2HD2 ASN 72 2HD2 ASN 72 -8.545 2.900 -8.519 547 H LEU 73 HN LEU 73 -3.841 6.911 -9.712 548 HA LEU 73 HA LEU 73 -2.953 4.227 -9.056 549 1HB LEU 73 2HB LEU 73 -1.596 6.906 -9.503 550 2HB LEU 73 1HB LEU 73 -0.703 5.401 -9.285 551 HG LEU 73 HG LEU 73 -2.815 5.811 -11.429 552 1HD1 LEU 73 1HD1 LEU 73 -0.616 7.217 -11.533 553 2HD1 LEU 73 2HD1 LEU 73 -1.120 6.318 -12.964 554 3HD1 LEU 73 3HD1 LEU 73 0.151 5.677 -11.921 555 1HD2 LEU 73 1HD2 LEU 73 -2.588 3.491 -11.010 556 2HD2 LEU 73 2HD2 LEU 73 -0.853 3.625 -10.724 557 3HD2 LEU 73 3HD2 LEU 73 -1.492 3.784 -12.360 558 H GLY 74 HN GLY 74 -2.907 7.363 -7.354 559 1HA GLY 74 2HA GLY 74 -1.317 6.761 -5.168 560 2HA GLY 74 1HA GLY 74 -2.706 7.835 -5.072 561 H ASP 75 HN ASP 75 -4.470 5.489 -5.911 562 HA ASP 75 HA ASP 75 -5.334 4.782 -3.288 563 1HB ASP 75 2HB ASP 75 -6.904 3.388 -4.477 564 2HB ASP 75 1HB ASP 75 -6.613 4.807 -5.482 565 H LEU 76 HN LEU 76 -2.833 3.458 -5.266 566 HA LEU 76 HA LEU 76 -2.822 0.737 -4.450 567 1HB LEU 76 2HB LEU 76 -0.614 2.666 -5.186 568 2HB LEU 76 1HB LEU 76 -0.376 0.929 -5.038 569 HG LEU 76 HG LEU 76 -2.427 2.201 -6.868 570 1HD1 LEU 76 1HD1 LEU 76 0.368 2.136 -7.178 571 2HD1 LEU 76 2HD1 LEU 76 -0.827 2.459 -8.433 572 3HD1 LEU 76 3HD1 LEU 76 -0.241 0.816 -8.176 573 1HD2 LEU 76 1HD2 LEU 76 -3.218 0.075 -6.807 574 2HD2 LEU 76 2HD2 LEU 76 -1.766 -0.528 -6.008 575 3HD2 LEU 76 3HD2 LEU 76 -1.797 -0.344 -7.763 576 H LYS 77 HN LYS 77 -1.875 -0.307 -2.722 577 HA LYS 77 HA LYS 77 -0.385 1.236 -0.673 578 1HB LYS 77 2HB LYS 77 -3.020 -0.206 -0.216 579 2HB LYS 77 1HB LYS 77 -1.982 0.386 1.081 580 1HG LYS 77 2HG LYS 77 -2.175 2.682 0.195 581 2HG LYS 77 1HG LYS 77 -3.216 2.093 -1.101 582 1HD LYS 77 2HD LYS 77 -4.854 1.302 0.564 583 2HD LYS 77 1HD LYS 77 -3.818 1.893 1.864 584 1HE LYS 77 2HE LYS 77 -4.301 4.120 1.422 585 2HE LYS 77 1HE LYS 77 -4.603 3.818 -0.300 586 1HZ LYS 77 1HZ LYS 77 -6.740 3.972 0.475 587 2HZ LYS 77 2HZ LYS 77 -6.360 3.339 2.005 588 3HZ LYS 77 3HZ LYS 77 -6.483 2.306 0.661 589 H VAL 78 HN VAL 78 1.123 -0.098 0.336 590 HA VAL 78 HA VAL 78 1.744 -2.597 -0.859 591 HB VAL 78 HB VAL 78 2.537 -1.450 1.839 592 1HG1 VAL 78 1HG1 VAL 78 3.142 -3.946 0.610 593 2HG1 VAL 78 2HG1 VAL 78 3.866 -3.255 2.064 594 3HG1 VAL 78 3HG1 VAL 78 4.592 -2.940 0.484 595 1HG2 VAL 78 1HG2 VAL 78 4.600 -0.945 0.176 596 2HG2 VAL 78 2HG2 VAL 78 3.273 0.192 0.419 597 3HG2 VAL 78 3HG2 VAL 78 3.271 -0.877 -0.982 598 H GLY 79 HN GLY 79 1.447 -4.729 -0.122 599 1HA GLY 79 2HA GLY 79 0.504 -6.438 1.285 600 2HA GLY 79 1HA GLY 79 -0.328 -5.181 2.203 601 H ASP 80 HN ASP 80 -0.854 -4.059 -0.725 602 HA ASP 80 HA ASP 80 -3.395 -5.584 -1.104 603 1HB ASP 80 2HB ASP 80 -3.245 -3.043 -0.794 604 2HB ASP 80 1HB ASP 80 -2.496 -2.992 -2.385 605 H TRP 81 HN TRP 81 -3.971 -6.068 -3.389 606 HA TRP 81 HA TRP 81 -1.533 -6.565 -5.071 607 1HB TRP 81 2HB TRP 81 -4.153 -8.048 -4.743 608 2HB TRP 81 1HB TRP 81 -3.036 -8.384 -6.060 609 HD1 TRP 81 HD1 TRP 81 -2.399 -7.764 -2.284 610 HE1 TRP 81 HE1 TRP 81 -0.920 -9.669 -1.406 611 HE3 TRP 81 HE3 TRP 81 -2.007 -10.600 -6.516 612 HZ2 TRP 81 HZ2 TRP 81 0.264 -12.092 -2.353 613 HZ3 TRP 81 HZ3 TRP 81 -0.698 -12.708 -6.497 614 HH2 TRP 81 HH2 TRP 81 0.438 -13.454 -4.419 615 H VAL 82 HN VAL 82 -1.906 -6.340 -7.414 616 HA VAL 82 HA VAL 82 -4.099 -4.425 -8.097 617 HB VAL 82 HB VAL 82 -2.125 -3.126 -8.024 618 1HG1 VAL 82 1HG1 VAL 82 -0.812 -5.657 -8.946 619 2HG1 VAL 82 2HG1 VAL 82 -0.391 -4.620 -7.582 620 3HG1 VAL 82 3HG1 VAL 82 -0.008 -4.112 -9.228 621 1HG2 VAL 82 1HG2 VAL 82 -1.829 -2.423 -10.208 622 2HG2 VAL 82 2HG2 VAL 82 -3.282 -3.401 -10.415 623 3HG2 VAL 82 3HG2 VAL 82 -1.699 -4.072 -10.824 624 H ASN 83 HN ASN 83 -4.775 -4.519 -10.329 625 HA ASN 83 HA ASN 83 -4.480 -7.141 -11.669 626 1HB ASN 83 2HB ASN 83 -6.226 -4.780 -11.700 627 2HB ASN 83 1HB ASN 83 -5.842 -5.348 -13.312 628 1HD2 ASN 83 1HD2 ASN 83 -8.300 -5.902 -13.193 629 2HD2 ASN 83 2HD2 ASN 83 -8.699 -7.433 -12.583 630 H VAL 84 HN VAL 84 -2.407 -7.275 -12.574 631 HA VAL 84 HA VAL 84 -1.374 -4.840 -13.943 632 HB VAL 84 HB VAL 84 0.787 -6.397 -13.839 633 1HG1 VAL 84 1HG1 VAL 84 -0.230 -5.125 -11.300 634 2HG1 VAL 84 2HG1 VAL 84 0.191 -4.163 -12.720 635 3HG1 VAL 84 3HG1 VAL 84 1.419 -5.157 -11.934 636 1HG2 VAL 84 1HG2 VAL 84 -0.870 -7.366 -11.486 637 2HG2 VAL 84 2HG2 VAL 84 0.805 -7.794 -11.837 638 3HG2 VAL 84 3HG2 VAL 84 -0.488 -8.342 -12.904 639 H GLU 85 HN GLU 85 -0.873 -4.808 -16.043 640 HA GLU 85 HA GLU 85 -1.139 -7.342 -17.640 641 1HB GLU 85 2HB GLU 85 -3.181 -5.954 -17.751 642 2HB GLU 85 1HB GLU 85 -2.214 -4.568 -18.255 643 1HG GLU 85 2HG GLU 85 -1.497 -5.796 -20.271 644 2HG GLU 85 1HG GLU 85 -2.466 -7.183 -19.772 645 H ARG 86 HN ARG 86 0.286 -7.455 -19.456 646 HA ARG 86 HA ARG 86 2.629 -5.674 -19.290 647 1HB ARG 86 2HB ARG 86 3.628 -7.350 -20.721 648 2HB ARG 86 1HB ARG 86 2.666 -8.194 -19.507 649 1HG ARG 86 2HG ARG 86 0.799 -8.378 -21.114 650 2HG ARG 86 1HG ARG 86 1.769 -7.549 -22.331 651 1HD ARG 86 2HD ARG 86 3.491 -9.374 -22.119 652 2HD ARG 86 1HD ARG 86 2.360 -10.242 -21.062 653 HE ARG 86 HE ARG 86 0.923 -9.468 -23.379 654 1HH1 ARG 86 1HH1 ARG 86 3.560 -11.495 -22.437 655 2HH1 ARG 86 2HH1 ARG 86 3.298 -12.642 -23.707 656 1HH2 ARG 86 1HH2 ARG 86 0.575 -10.961 -25.036 657 2HH2 ARG 86 2HH2 ARG 86 1.611 -12.342 -25.174 658 H ALA 87 HN ALA 87 3.017 -4.005 -20.694 659 HA ALA 87 HA ALA 87 1.394 -3.857 -23.210 660 1HB ALA 87 1HB ALA 87 0.922 -2.320 -21.104 661 2HB ALA 87 2HB ALA 87 0.888 -1.637 -22.731 662 3HB ALA 87 3HB ALA 87 2.312 -1.425 -21.714 663 H ALA 88 HN ALA 88 2.499 -3.093 -25.024 664 HA ALA 88 HA ALA 88 5.418 -2.477 -24.720 665 1HB ALA 88 1HB ALA 88 4.008 -4.721 -26.010 666 2HB ALA 88 2HB ALA 88 5.682 -4.612 -25.469 667 3HB ALA 88 3HB ALA 88 5.219 -3.953 -27.038 668 H LYS 89 HN LYS 89 6.280 -1.206 -26.475 669 HA LYS 89 HA LYS 89 4.589 0.814 -27.561 670 1HB LYS 89 2HB LYS 89 7.328 -0.265 -28.277 671 2HB LYS 89 1HB LYS 89 6.657 1.199 -28.997 672 1HG LYS 89 2HG LYS 89 6.952 2.421 -27.099 673 2HG LYS 89 1HG LYS 89 6.479 1.083 -26.051 674 1HD LYS 89 2HD LYS 89 8.811 1.504 -25.638 675 2HD LYS 89 1HD LYS 89 8.713 0.012 -26.575 676 1HE LYS 89 2HE LYS 89 9.143 1.331 -28.659 677 2HE LYS 89 1HE LYS 89 9.364 2.778 -27.655 678 1HZ LYS 89 1HZ LYS 89 10.886 1.067 -26.336 679 2HZ LYS 89 2HZ LYS 89 11.487 2.029 -27.601 680 3HZ LYS 89 3HZ LYS 89 11.054 0.412 -27.892 681 H PHE 90 HN PHE 90 5.818 -2.221 -28.974 682 HA PHE 90 HA PHE 90 3.842 -1.884 -31.205 683 1HB PHE 90 2HB PHE 90 5.568 -2.662 -32.731 684 2HB PHE 90 1HB PHE 90 6.223 -1.320 -31.794 685 HD1 PHE 90 HD1 PHE 90 7.755 -1.764 -29.865 686 HD2 PHE 90 HD2 PHE 90 6.445 -4.885 -32.515 687 HE1 PHE 90 HE1 PHE 90 9.581 -3.228 -29.042 688 HE2 PHE 90 HE2 PHE 90 8.271 -6.351 -31.692 689 HZ PHE 90 HZ PHE 90 9.840 -5.522 -29.955 690 H SER 91 HN SER 91 3.240 -3.979 -32.206 691 HA SER 91 HA SER 91 3.391 -6.213 -30.207 692 1HB SER 91 2HB SER 91 1.246 -5.288 -32.134 693 2HB SER 91 1HB SER 91 1.137 -6.789 -31.220 694 HG SER 91 HG SER 91 0.225 -4.683 -30.334 695 H ASP 92 HN ASP 92 3.873 -8.278 -30.976 696 HA ASP 92 HA ASP 92 5.354 -8.599 -33.397 697 1HB ASP 92 2HB ASP 92 3.939 -10.507 -31.516 698 2HB ASP 92 1HB ASP 92 4.994 -11.053 -32.819 699 H GLU 93 HN GLU 93 1.957 -9.271 -32.604 700 HA GLU 93 HA GLU 93 0.089 -9.776 -34.058 701 1HB GLU 93 2HB GLU 93 2.045 -8.206 -35.742 702 2HB GLU 93 1HB GLU 93 0.460 -8.679 -36.354 703 1HG GLU 93 2HG GLU 93 -0.610 -7.521 -34.447 704 2HG GLU 93 1HG GLU 93 0.981 -7.040 -33.856 705 H ILE 94 HN ILE 94 1.733 -11.939 -33.663 706 HA ILE 94 HA ILE 94 2.799 -13.167 -36.035 707 HB ILE 94 HB ILE 94 1.619 -14.305 -33.477 708 1HG1 ILE 94 2HG1 ILE 94 4.542 -13.949 -34.135 709 2HG1 ILE 94 1HG1 ILE 94 3.610 -12.628 -33.429 710 1HG2 ILE 94 1HG2 ILE 94 3.463 -16.107 -34.206 711 2HG2 ILE 94 2HG2 ILE 94 3.030 -15.519 -35.811 712 3HG2 ILE 94 3HG2 ILE 94 1.794 -16.213 -34.763 713 1HD1 ILE 94 1HD1 ILE 94 4.474 -13.723 -31.537 714 2HD1 ILE 94 2HD1 ILE 94 4.253 -15.323 -32.247 715 3HD1 ILE 94 3HD1 ILE 94 2.855 -14.408 -31.681 716 H GLY 95 HN GLY 95 -0.414 -13.296 -34.489 717 1HA GLY 95 2HA GLY 95 -2.308 -13.412 -36.229 718 2HA GLY 95 1HA GLY 95 -1.418 -14.790 -36.876 719 H GLY 96 HN GLY 96 -1.235 -16.712 -35.525 720 1HA GLY 96 2HA GLY 96 -1.859 -18.146 -33.742 721 2HA GLY 96 1HA GLY 96 -2.751 -16.808 -33.019 722 H HIS 97 HN HIS 97 -4.319 -18.727 -32.737 723 HA HIS 97 HA HIS 97 -6.339 -19.785 -33.358 724 1HB HIS 97 2HB HIS 97 -6.848 -17.346 -33.616 725 2HB HIS 97 1HB HIS 97 -6.368 -17.459 -35.309 726 HD1 HIS 97 HD1 HIS 97 -8.813 -19.200 -32.945 727 HD2 HIS 97 HD2 HIS 97 -8.471 -18.138 -36.961 728 HE1 HIS 97 HE1 HIS 97 -10.994 -19.863 -34.048 729 1H MET 1 1HT MET 1 0.074 -0.017 -30.315 730 2H MET 1 2HT MET 1 -0.357 -0.868 -28.909 731 3H MET 1 3HT MET 1 1.081 0.034 -28.952 732 HA MET 1 HA MET 1 0.049 1.976 -28.508 733 1HB MET 1 2HB MET 1 -2.047 2.547 -29.667 734 2HB MET 1 1HB MET 1 -0.905 1.830 -30.805 735 1HG MET 1 2HG MET 1 -2.012 -0.374 -30.490 736 2HG MET 1 1HG MET 1 -3.190 0.392 -29.424 737 1HE MET 1 1HE MET 1 -4.412 3.256 -31.510 738 2HE MET 1 2HE MET 1 -4.018 2.573 -29.934 739 3HE MET 1 3HE MET 1 -5.477 2.051 -30.772 740 H PHE 2 HN PHE 2 -0.852 2.361 -26.502 741 HA PHE 2 HA PHE 2 -3.312 1.171 -25.609 742 1HB PHE 2 2HB PHE 2 -2.387 -0.329 -23.920 743 2HB PHE 2 1HB PHE 2 -1.731 -0.783 -25.491 744 HD1 PHE 2 HD1 PHE 2 -0.969 1.416 -22.541 745 HD2 PHE 2 HD2 PHE 2 0.597 -0.994 -25.740 746 HE1 PHE 2 HE1 PHE 2 1.329 1.768 -21.682 747 HE2 PHE 2 HE2 PHE 2 2.897 -0.637 -24.878 748 HZ PHE 2 HZ PHE 2 3.261 0.751 -22.851 749 H THR 3 HN THR 3 -3.925 2.121 -23.554 750 HA THR 3 HA THR 3 -1.930 3.789 -22.169 751 HB THR 3 HB THR 3 -3.165 5.832 -22.509 752 HG1 THR 3 HG1 THR 3 -5.095 4.194 -23.790 753 1HG2 THR 3 1HG2 THR 3 -3.178 4.340 -25.152 754 2HG2 THR 3 2HG2 THR 3 -1.741 5.045 -24.420 755 3HG2 THR 3 3HG2 THR 3 -3.073 6.086 -24.925 756 H GLY 4 HN GLY 4 -5.294 2.670 -22.451 757 1HA GLY 4 2HA GLY 4 -6.918 2.286 -20.803 758 2HA GLY 4 1HA GLY 4 -5.572 1.665 -19.841 759 H ILE 5 HN ILE 5 -5.443 4.936 -20.996 760 HA ILE 5 HA ILE 5 -5.243 5.891 -18.233 761 HB ILE 5 HB ILE 5 -5.238 7.329 -20.909 762 1HG1 ILE 5 2HG1 ILE 5 -2.957 6.311 -19.183 763 2HG1 ILE 5 1HG1 ILE 5 -3.493 5.576 -20.692 764 1HG2 ILE 5 1HG2 ILE 5 -4.388 9.208 -19.794 765 2HG2 ILE 5 2HG2 ILE 5 -3.897 8.270 -18.381 766 3HG2 ILE 5 3HG2 ILE 5 -5.606 8.623 -18.659 767 1HD1 ILE 5 1HD1 ILE 5 -3.090 7.874 -21.767 768 2HD1 ILE 5 2HD1 ILE 5 -1.657 6.956 -21.305 769 3HD1 ILE 5 3HD1 ILE 5 -2.218 8.284 -20.290 770 H VAL 6 HN VAL 6 -6.823 6.907 -17.072 771 HA VAL 6 HA VAL 6 -9.536 6.692 -18.117 772 HB VAL 6 HB VAL 6 -8.103 7.002 -15.535 773 1HG1 VAL 6 1HG1 VAL 6 -9.738 8.894 -15.457 774 2HG1 VAL 6 2HG1 VAL 6 -10.105 7.627 -14.286 775 3HG1 VAL 6 3HG1 VAL 6 -11.034 7.743 -15.780 776 1HG2 VAL 6 1HG2 VAL 6 -10.480 5.488 -15.345 777 2HG2 VAL 6 2HG2 VAL 6 -8.831 4.874 -15.491 778 3HG2 VAL 6 3HG2 VAL 6 -9.806 5.144 -16.937 779 H GLN 7 HN GLN 7 -10.946 8.317 -18.580 780 HA GLN 7 HA GLN 7 -9.984 10.979 -19.161 781 1HB GLN 7 2HB GLN 7 -12.738 9.723 -18.969 782 2HB GLN 7 1HB GLN 7 -12.423 11.318 -19.651 783 1HG GLN 7 2HG GLN 7 -11.215 8.721 -20.647 784 2HG GLN 7 1HG GLN 7 -12.541 9.588 -21.419 785 1HE2 GLN 7 1HE2 GLN 7 -11.733 12.228 -21.355 786 2HE2 GLN 7 2HE2 GLN 7 -10.264 12.425 -22.183 787 H GLY 8 HN GLY 8 -11.851 9.551 -16.473 788 1HA GLY 8 2HA GLY 8 -11.454 12.047 -14.911 789 2HA GLY 8 1HA GLY 8 -13.116 11.610 -15.303 790 H THR 9 HN THR 9 -12.505 11.747 -12.654 791 HA THR 9 HA THR 9 -11.945 8.928 -11.821 792 HB THR 9 HB THR 9 -11.442 10.217 -9.612 793 HG1 THR 9 HG1 THR 9 -12.436 12.157 -10.414 794 1HG2 THR 9 1HG2 THR 9 -9.176 10.759 -10.437 795 2HG2 THR 9 2HG2 THR 9 -9.755 10.619 -12.097 796 3HG2 THR 9 3HG2 THR 9 -9.729 9.200 -11.051 797 H ALA 10 HN ALA 10 -12.984 8.433 -9.608 798 HA ALA 10 HA ALA 10 -15.769 9.523 -9.377 799 1HB ALA 10 1HB ALA 10 -15.823 6.708 -9.020 800 2HB ALA 10 2HB ALA 10 -14.887 6.999 -10.488 801 3HB ALA 10 3HB ALA 10 -16.532 7.626 -10.347 802 H LYS 11 HN LYS 11 -16.611 9.287 -7.241 803 HA LYS 11 HA LYS 11 -14.563 8.508 -5.191 804 1HB LYS 11 2HB LYS 11 -15.344 10.806 -5.071 805 2HB LYS 11 1HB LYS 11 -17.019 10.269 -5.104 806 1HG LYS 11 2HG LYS 11 -16.762 9.131 -2.976 807 2HG LYS 11 1HG LYS 11 -15.037 9.494 -2.952 808 1HD LYS 11 2HD LYS 11 -15.361 11.666 -2.331 809 2HD LYS 11 1HD LYS 11 -16.857 11.819 -3.256 810 1HE LYS 11 2HE LYS 11 -17.994 10.354 -1.542 811 2HE LYS 11 1HE LYS 11 -16.509 10.437 -0.573 812 1HZ LYS 11 1HZ LYS 11 -16.847 12.588 -0.069 813 2HZ LYS 11 2HZ LYS 11 -18.469 12.267 -0.461 814 3HZ LYS 11 3HZ LYS 11 -17.439 12.976 -1.611 815 H LEU 12 HN LEU 12 -14.937 6.476 -4.396 816 HA LEU 12 HA LEU 12 -17.448 5.054 -4.492 817 1HB LEU 12 2HB LEU 12 -14.947 4.340 -3.996 818 2HB LEU 12 1HB LEU 12 -15.369 4.738 -2.347 819 HG LEU 12 HG LEU 12 -17.179 3.131 -2.349 820 1HD1 LEU 12 1HD1 LEU 12 -16.673 3.216 -5.285 821 2HD1 LEU 12 2HD1 LEU 12 -18.199 3.072 -4.411 822 3HD1 LEU 12 3HD1 LEU 12 -17.157 1.661 -4.605 823 1HD2 LEU 12 1HD2 LEU 12 -15.627 1.563 -1.882 824 2HD2 LEU 12 2HD2 LEU 12 -14.432 2.446 -2.833 825 3HD2 LEU 12 3HD2 LEU 12 -15.457 1.236 -3.606 826 H VAL 13 HN VAL 13 -19.222 5.453 -3.281 827 HA VAL 13 HA VAL 13 -18.883 7.051 -0.771 828 HB VAL 13 HB VAL 13 -19.919 8.454 -2.343 829 1HG1 VAL 13 1HG1 VAL 13 -22.119 7.265 -3.461 830 2HG1 VAL 13 2HG1 VAL 13 -20.961 5.938 -3.431 831 3HG1 VAL 13 3HG1 VAL 13 -20.554 7.447 -4.258 832 1HG2 VAL 13 1HG2 VAL 13 -22.491 7.339 -1.398 833 2HG2 VAL 13 2HG2 VAL 13 -21.846 8.972 -1.231 834 3HG2 VAL 13 3HG2 VAL 13 -21.310 7.696 -0.137 835 H SER 14 HN SER 14 -20.547 4.424 -2.409 836 HA SER 14 HA SER 14 -21.288 3.328 0.268 837 1HB SER 14 2HB SER 14 -23.023 4.764 -1.426 838 2HB SER 14 1HB SER 14 -23.490 3.075 -1.584 839 HG SER 14 HG SER 14 -24.286 4.542 0.280 840 H ILE 15 HN ILE 15 -21.481 1.068 0.287 841 HA ILE 15 HA ILE 15 -20.998 -0.341 -2.321 842 HB ILE 15 HB ILE 15 -20.643 -1.468 0.464 843 1HG1 ILE 15 2HG1 ILE 15 -18.689 0.056 -1.274 844 2HG1 ILE 15 1HG1 ILE 15 -19.228 0.464 0.353 845 1HG2 ILE 15 1HG2 ILE 15 -20.578 -3.262 -0.991 846 2HG2 ILE 15 2HG2 ILE 15 -18.885 -2.770 -1.082 847 3HG2 ILE 15 3HG2 ILE 15 -20.015 -2.281 -2.343 848 1HD1 ILE 15 1HD1 ILE 15 -17.074 -1.301 -0.459 849 2HD1 ILE 15 2HD1 ILE 15 -18.236 -2.153 0.559 850 3HD1 ILE 15 3HD1 ILE 15 -17.461 -0.683 1.148 851 H ASP 16 HN ASP 16 -22.534 -1.775 -2.988 852 HA ASP 16 HA ASP 16 -24.830 -2.334 -1.146 853 1HB ASP 16 2HB ASP 16 -24.527 -2.037 -4.125 854 2HB ASP 16 1HB ASP 16 -25.889 -2.939 -3.460 855 H GLU 17 HN GLU 17 -24.574 -4.347 -0.260 856 HA GLU 17 HA GLU 17 -22.995 -6.373 -1.767 857 1HB GLU 17 2HB GLU 17 -23.822 -6.002 1.125 858 2HB GLU 17 1HB GLU 17 -22.938 -7.416 0.551 859 1HG GLU 17 2HG GLU 17 -21.127 -5.962 -0.269 860 2HG GLU 17 1HG GLU 17 -22.010 -4.540 0.290 861 H LYS 18 HN LYS 18 -24.283 -7.726 -2.967 862 HA LYS 18 HA LYS 18 -26.835 -8.704 -1.723 863 1HB LYS 18 2HB LYS 18 -26.204 -8.868 -4.663 864 2HB LYS 18 1HB LYS 18 -27.773 -8.736 -3.876 865 1HG LYS 18 2HG LYS 18 -25.703 -6.519 -3.934 866 2HG LYS 18 1HG LYS 18 -27.075 -6.629 -5.039 867 1HD LYS 18 2HD LYS 18 -27.276 -6.483 -2.015 868 2HD LYS 18 1HD LYS 18 -27.571 -5.139 -3.119 869 1HE LYS 18 2HE LYS 18 -29.414 -6.413 -4.182 870 2HE LYS 18 1HE LYS 18 -29.133 -7.748 -3.045 871 1HZ LYS 18 1HZ LYS 18 -29.397 -6.117 -1.221 872 2HZ LYS 18 2HZ LYS 18 -30.814 -6.329 -2.132 873 3HZ LYS 18 3HZ LYS 18 -29.853 -4.948 -2.361 874 HA PRO 19 HA PRO 19 -24.673 -12.546 -1.306 875 1HB PRO 19 2HB PRO 19 -27.030 -14.099 -1.493 876 2HB PRO 19 1HB PRO 19 -26.289 -13.491 -0.002 877 1HG PRO 19 2HG PRO 19 -28.567 -12.408 -1.559 878 2HG PRO 19 1HG PRO 19 -28.264 -12.367 0.185 879 1HD PRO 19 2HD PRO 19 -27.957 -10.188 -1.354 880 2HD PRO 19 1HD PRO 19 -26.894 -10.507 0.038 881 H ASN 20 HN ASN 20 -27.063 -11.900 -3.822 882 HA ASN 20 HA ASN 20 -26.221 -14.074 -5.585 883 1HB ASN 20 2HB ASN 20 -27.596 -11.481 -6.324 884 2HB ASN 20 1HB ASN 20 -27.773 -13.060 -7.091 885 1HD2 ASN 20 1HD2 ASN 20 -29.083 -10.980 -4.698 886 2HD2 ASN 20 2HD2 ASN 20 -30.126 -12.099 -3.968 887 H PHE 21 HN PHE 21 -25.513 -10.595 -5.272 888 HA PHE 21 HA PHE 21 -22.983 -10.960 -6.774 889 1HB PHE 21 2HB PHE 21 -25.225 -9.129 -7.692 890 2HB PHE 21 1HB PHE 21 -23.650 -9.299 -8.464 891 HD1 PHE 21 HD1 PHE 21 -23.018 -11.409 -9.604 892 HD2 PHE 21 HD2 PHE 21 -26.941 -10.815 -7.949 893 HE1 PHE 21 HE1 PHE 21 -23.862 -13.343 -10.911 894 HE2 PHE 21 HE2 PHE 21 -27.785 -12.749 -9.255 895 HZ PHE 21 HZ PHE 21 -26.245 -14.014 -10.736 896 H ARG 22 HN ARG 22 -21.520 -9.196 -6.406 897 HA ARG 22 HA ARG 22 -22.255 -7.432 -4.141 898 1HB ARG 22 2HB ARG 22 -20.141 -8.735 -4.151 899 2HB ARG 22 1HB ARG 22 -19.638 -7.864 -5.592 900 1HG ARG 22 2HG ARG 22 -19.659 -5.753 -4.395 901 2HG ARG 22 1HG ARG 22 -20.308 -6.541 -2.956 902 1HD ARG 22 2HD ARG 22 -18.268 -7.917 -2.771 903 2HD ARG 22 1HD ARG 22 -17.605 -7.136 -4.219 904 HE ARG 22 HE ARG 22 -18.223 -4.974 -2.688 905 1HH1 ARG 22 1HH1 ARG 22 -16.577 -7.941 -2.020 906 2HH1 ARG 22 2HH1 ARG 22 -15.605 -7.264 -0.759 907 1HH2 ARG 22 1HH2 ARG 22 -16.956 -4.087 -1.047 908 2HH2 ARG 22 2HH2 ARG 22 -15.816 -5.089 -0.210 909 H THR 23 HN THR 23 -22.392 -5.242 -4.334 910 HA THR 23 HA THR 23 -22.218 -4.090 -7.100 911 HB THR 23 HB THR 23 -24.276 -3.692 -4.901 912 HG1 THR 23 HG1 THR 23 -25.566 -4.938 -6.160 913 1HG2 THR 23 1HG2 THR 23 -23.592 -2.126 -7.232 914 2HG2 THR 23 2HG2 THR 23 -24.802 -1.797 -5.991 915 3HG2 THR 23 3HG2 THR 23 -25.224 -2.777 -7.395 916 H HIS 24 HN HIS 24 -21.290 -2.019 -7.207 917 HA HIS 24 HA HIS 24 -20.654 -0.704 -4.588 918 1HB HIS 24 2HB HIS 24 -18.963 -1.796 -6.699 919 2HB HIS 24 1HB HIS 24 -18.583 -0.111 -6.337 920 HD1 HIS 24 HD1 HIS 24 -17.348 -3.177 -5.360 921 HD2 HIS 24 HD2 HIS 24 -18.923 -0.032 -3.128 922 HE1 HIS 24 HE1 HIS 24 -16.522 -3.495 -2.985 923 H VAL 25 HN VAL 25 -20.879 1.546 -4.577 924 HA VAL 25 HA VAL 25 -21.736 2.800 -7.164 925 HB VAL 25 HB VAL 25 -22.608 3.554 -4.380 926 1HG1 VAL 25 1HG1 VAL 25 -23.405 5.286 -5.613 927 2HG1 VAL 25 2HG1 VAL 25 -24.644 4.136 -6.112 928 3HG1 VAL 25 3HG1 VAL 25 -23.231 4.404 -7.130 929 1HG2 VAL 25 1HG2 VAL 25 -23.435 1.372 -4.472 930 2HG2 VAL 25 2HG2 VAL 25 -23.603 1.406 -6.228 931 3HG2 VAL 25 3HG2 VAL 25 -24.758 2.270 -5.214 932 H VAL 26 HN VAL 26 -20.655 4.597 -7.752 933 HA VAL 26 HA VAL 26 -18.797 5.859 -5.764 934 HB VAL 26 HB VAL 26 -17.435 6.385 -7.769 935 1HG1 VAL 26 1HG1 VAL 26 -16.514 4.381 -7.302 936 2HG1 VAL 26 2HG1 VAL 26 -17.590 3.673 -8.507 937 3HG1 VAL 26 3HG1 VAL 26 -18.077 3.724 -6.813 938 1HG2 VAL 26 1HG2 VAL 26 -18.099 5.583 -9.965 939 2HG2 VAL 26 2HG2 VAL 26 -19.409 6.567 -9.311 940 3HG2 VAL 26 3HG2 VAL 26 -19.532 4.808 -9.289 941 H GLU 27 HN GLU 27 -18.323 8.234 -6.470 942 HA GLU 27 HA GLU 27 -20.916 9.594 -7.053 943 1HB GLU 27 2HB GLU 27 -19.185 9.786 -4.985 944 2HB GLU 27 1HB GLU 27 -18.467 10.957 -6.084 945 1HG GLU 27 2HG GLU 27 -20.401 12.311 -6.101 946 2HG GLU 27 1HG GLU 27 -21.412 11.020 -5.454 947 H LEU 28 HN LEU 28 -21.060 10.223 -9.155 948 HA LEU 28 HA LEU 28 -18.705 10.317 -10.859 949 1HB LEU 28 2HB LEU 28 -21.248 9.578 -11.167 950 2HB LEU 28 1HB LEU 28 -21.425 11.253 -11.678 951 HG LEU 28 HG LEU 28 -19.735 10.961 -13.402 952 1HD1 LEU 28 1HD1 LEU 28 -18.133 9.508 -12.463 953 2HD1 LEU 28 2HD1 LEU 28 -18.889 8.516 -13.709 954 3HD1 LEU 28 3HD1 LEU 28 -19.348 8.309 -12.020 955 1HD2 LEU 28 1HD2 LEU 28 -21.635 8.593 -13.386 956 2HD2 LEU 28 2HD2 LEU 28 -20.855 9.284 -14.808 957 3HD2 LEU 28 3HD2 LEU 28 -22.055 10.220 -13.918 958 HA PRO 29 HA PRO 29 -17.996 14.659 -10.095 959 1HB PRO 29 2HB PRO 29 -16.080 14.956 -12.044 960 2HB PRO 29 1HB PRO 29 -15.757 14.315 -10.424 961 1HG PRO 29 2HG PRO 29 -16.117 12.868 -12.991 962 2HG PRO 29 1HG PRO 29 -15.041 12.512 -11.632 963 1HD PRO 29 2HD PRO 29 -17.346 11.159 -12.095 964 2HD PRO 29 1HD PRO 29 -16.663 11.386 -10.472 965 H ASP 30 HN ASP 30 -17.800 16.651 -11.649 966 HA ASP 30 HA ASP 30 -20.242 16.925 -13.030 967 1HB ASP 30 2HB ASP 30 -18.882 18.749 -12.091 968 2HB ASP 30 1HB ASP 30 -17.639 18.459 -13.310 969 H HIS 31 HN HIS 31 -16.989 16.214 -14.355 970 HA HIS 31 HA HIS 31 -18.060 16.324 -17.091 971 1HB HIS 31 2HB HIS 31 -15.726 16.077 -17.717 972 2HB HIS 31 1HB HIS 31 -15.831 17.227 -16.390 973 HD1 HIS 31 HD1 HIS 31 -16.345 14.457 -14.474 974 HD2 HIS 31 HD2 HIS 31 -13.017 15.662 -16.668 975 HE1 HIS 31 HE1 HIS 31 -14.349 13.258 -13.471 976 H MET 32 HN MET 32 -18.140 14.000 -14.749 977 HA MET 32 HA MET 32 -18.160 11.808 -16.800 978 1HB MET 32 2HB MET 32 -17.723 11.811 -13.801 979 2HB MET 32 1HB MET 32 -17.990 10.335 -14.729 980 1HG MET 32 2HG MET 32 -15.765 12.336 -15.216 981 2HG MET 32 1HG MET 32 -15.577 10.768 -14.431 982 1HE MET 32 1HE MET 32 -15.854 8.603 -15.374 983 2HE MET 32 2HE MET 32 -16.152 8.162 -17.053 984 3HE MET 32 3HE MET 32 -17.464 8.810 -16.074 985 H LEU 33 HN LEU 33 -20.005 13.794 -14.698 986 HA LEU 33 HA LEU 33 -22.264 12.044 -14.228 987 1HB LEU 33 2HB LEU 33 -21.666 14.989 -14.127 988 2HB LEU 33 1HB LEU 33 -23.326 14.428 -13.926 989 HG LEU 33 HG LEU 33 -21.074 13.216 -12.318 990 1HD1 LEU 33 1HD1 LEU 33 -20.962 15.609 -11.871 991 2HD1 LEU 33 2HD1 LEU 33 -21.738 14.812 -10.503 992 3HD1 LEU 33 3HD1 LEU 33 -22.713 15.689 -11.682 993 1HD2 LEU 33 1HD2 LEU 33 -23.949 13.618 -11.526 994 2HD2 LEU 33 2HD2 LEU 33 -22.805 12.399 -10.964 995 3HD2 LEU 33 3HD2 LEU 33 -23.495 12.282 -12.583 996 H ASP 34 HN ASP 34 -21.467 14.448 -16.730 997 HA ASP 34 HA ASP 34 -24.032 14.186 -18.093 998 1HB ASP 34 2HB ASP 34 -22.632 16.225 -18.091 999 2HB ASP 34 1HB ASP 34 -21.352 15.346 -18.928 1000 H GLY 35 HN GLY 35 -24.555 12.636 -19.591 1001 1HA GLY 35 2HA GLY 35 -24.078 11.396 -21.602 1002 2HA GLY 35 1HA GLY 35 -22.368 11.409 -21.174 1003 H LEU 36 HN LEU 36 -22.527 10.432 -18.525 1004 HA LEU 36 HA LEU 36 -22.541 7.630 -19.063 1005 1HB LEU 36 2HB LEU 36 -21.292 9.014 -17.296 1006 2HB LEU 36 1HB LEU 36 -22.777 8.936 -16.345 1007 HG LEU 36 HG LEU 36 -21.640 6.403 -17.481 1008 1HD1 LEU 36 1HD1 LEU 36 -19.965 6.209 -15.917 1009 2HD1 LEU 36 2HD1 LEU 36 -20.803 7.219 -14.740 1010 3HD1 LEU 36 3HD1 LEU 36 -19.951 7.964 -16.092 1011 1HD2 LEU 36 1HD2 LEU 36 -23.262 5.514 -16.192 1012 2HD2 LEU 36 2HD2 LEU 36 -23.786 7.149 -15.787 1013 3HD2 LEU 36 3HD2 LEU 36 -22.610 6.324 -14.765 1014 H GLU 37 HN GLU 37 -24.021 6.005 -18.486 1015 HA GLU 37 HA GLU 37 -26.615 6.767 -17.250 1016 1HB GLU 37 2HB GLU 37 -27.821 5.859 -19.207 1017 2HB GLU 37 1HB GLU 37 -26.765 7.184 -19.699 1018 1HG GLU 37 2HG GLU 37 -25.038 5.554 -20.382 1019 2HG GLU 37 1HG GLU 37 -26.103 4.231 -19.904 1020 H THR 38 HN THR 38 -27.915 4.743 -16.785 1021 HA THR 38 HA THR 38 -26.274 2.662 -15.670 1022 HB THR 38 HB THR 38 -28.820 1.645 -15.898 1023 HG1 THR 38 HG1 THR 38 -30.177 3.215 -16.210 1024 1HG2 THR 38 1HG2 THR 38 -27.922 1.702 -13.766 1025 2HG2 THR 38 2HG2 THR 38 -29.110 3.001 -13.654 1026 3HG2 THR 38 3HG2 THR 38 -27.409 3.382 -13.919 1027 H GLY 39 HN GLY 39 -25.992 0.487 -16.433 1028 1HA GLY 39 2HA GLY 39 -25.899 -1.240 -18.062 1029 2HA GLY 39 1HA GLY 39 -26.925 -0.269 -19.116 1030 H ALA 40 HN ALA 40 -24.701 1.878 -18.113 1031 HA ALA 40 HA ALA 40 -23.142 1.773 -20.582 1032 1HB ALA 40 1HB ALA 40 -22.034 3.740 -19.419 1033 2HB ALA 40 2HB ALA 40 -23.074 3.413 -18.030 1034 3HB ALA 40 3HB ALA 40 -23.786 3.883 -19.574 1035 H SER 41 HN SER 41 -20.812 1.375 -20.636 1036 HA SER 41 HA SER 41 -19.891 -0.428 -18.457 1037 1HB SER 41 2HB SER 41 -17.983 -0.454 -20.404 1038 2HB SER 41 1HB SER 41 -19.386 -1.512 -20.390 1039 HG SER 41 HG SER 41 -19.862 -0.559 -22.199 1040 H VAL 42 HN VAL 42 -18.938 0.735 -16.827 1041 HA VAL 42 HA VAL 42 -17.125 3.002 -17.511 1042 HB VAL 42 HB VAL 42 -18.618 2.008 -15.111 1043 1HG1 VAL 42 1HG1 VAL 42 -15.869 3.090 -15.021 1044 2HG1 VAL 42 2HG1 VAL 42 -16.742 2.112 -13.841 1045 3HG1 VAL 42 3HG1 VAL 42 -17.030 3.849 -13.932 1046 1HG2 VAL 42 1HG2 VAL 42 -19.655 3.965 -15.480 1047 2HG2 VAL 42 2HG2 VAL 42 -18.541 4.305 -16.807 1048 3HG2 VAL 42 3HG2 VAL 42 -18.136 4.805 -15.162 1049 H ALA 43 HN ALA 43 -14.934 2.686 -17.455 1050 HA ALA 43 HA ALA 43 -13.901 0.070 -16.457 1051 1HB ALA 43 1HB ALA 43 -12.989 2.228 -18.325 1052 2HB ALA 43 2HB ALA 43 -12.941 0.477 -18.535 1053 3HB ALA 43 3HB ALA 43 -11.758 1.274 -17.499 1054 H HIS 44 HN HIS 44 -13.232 0.109 -14.349 1055 HA HIS 44 HA HIS 44 -12.602 2.690 -13.038 1056 1HB HIS 44 2HB HIS 44 -13.156 -0.148 -12.247 1057 2HB HIS 44 1HB HIS 44 -12.251 0.865 -11.121 1058 HD1 HIS 44 HD1 HIS 44 -14.963 2.301 -13.343 1059 HD2 HIS 44 HD2 HIS 44 -14.422 1.211 -9.343 1060 HE1 HIS 44 HE1 HIS 44 -16.956 3.209 -12.067 1061 HE2 HIS 44 HE2 HIS 44 -16.636 2.545 -9.645 1062 H ASN 45 HN ASN 45 -10.622 3.364 -13.641 1063 HA ASN 45 HA ASN 45 -8.331 3.402 -14.104 1064 1HB ASN 45 2HB ASN 45 -8.595 2.199 -11.704 1065 2HB ASN 45 1HB ASN 45 -7.875 0.868 -12.616 1066 1HD2 ASN 45 1HD2 ASN 45 -7.229 3.969 -11.170 1067 2HD2 ASN 45 2HD2 ASN 45 -5.616 4.098 -11.656 1068 H GLY 46 HN GLY 46 -10.411 1.362 -15.451 1069 1HA GLY 46 2HA GLY 46 -9.720 0.754 -17.757 1070 2HA GLY 46 1HA GLY 46 -8.261 0.059 -17.057 1071 H CYS 47 HN CYS 47 -10.690 -0.757 -14.939 1072 HA CYS 47 HA CYS 47 -11.019 -3.433 -16.219 1073 1HB CYS 47 2HB CYS 47 -10.291 -3.140 -13.816 1074 2HB CYS 47 1HB CYS 47 -11.871 -2.436 -13.476 1075 HG CYS 47 HG CYS 47 -11.305 -5.399 -13.803 1076 H CYS 48 HN CYS 48 -12.725 -3.425 -17.649 1077 HA CYS 48 HA CYS 48 -14.812 -1.457 -17.537 1078 1HB CYS 48 2HB CYS 48 -15.699 -2.827 -19.452 1079 2HB CYS 48 1HB CYS 48 -13.992 -2.411 -19.613 1080 HG CYS 48 HG CYS 48 -13.965 -4.924 -20.018 1081 H LEU 49 HN LEU 49 -16.705 -1.505 -16.461 1082 HA LEU 49 HA LEU 49 -18.041 -4.104 -15.951 1083 1HB LEU 49 2HB LEU 49 -18.454 -3.293 -13.562 1084 2HB LEU 49 1HB LEU 49 -16.790 -3.757 -13.925 1085 HG LEU 49 HG LEU 49 -17.403 -0.936 -14.512 1086 1HD1 LEU 49 1HD1 LEU 49 -18.398 -2.020 -12.090 1087 2HD1 LEU 49 2HD1 LEU 49 -18.251 -0.315 -12.519 1088 3HD1 LEU 49 3HD1 LEU 49 -16.934 -1.129 -11.673 1089 1HD2 LEU 49 1HD2 LEU 49 -15.166 -0.784 -14.166 1090 2HD2 LEU 49 2HD2 LEU 49 -15.168 -2.544 -14.058 1091 3HD2 LEU 49 3HD2 LEU 49 -15.287 -1.571 -12.592 1092 H THR 50 HN THR 50 -20.384 -3.759 -15.505 1093 HA THR 50 HA THR 50 -21.294 -1.347 -16.976 1094 HB THR 50 HB THR 50 -22.600 -3.991 -16.269 1095 HG1 THR 50 HG1 THR 50 -20.779 -3.530 -17.958 1096 1HG2 THR 50 1HG2 THR 50 -24.378 -3.335 -17.805 1097 2HG2 THR 50 2HG2 THR 50 -23.565 -1.807 -18.140 1098 3HG2 THR 50 3HG2 THR 50 -24.232 -2.119 -16.539 1099 H VAL 51 HN VAL 51 -23.039 -0.061 -16.247 1100 HA VAL 51 HA VAL 51 -23.123 0.376 -13.372 1101 HB VAL 51 HB VAL 51 -24.786 1.563 -15.614 1102 1HG1 VAL 51 1HG1 VAL 51 -24.247 3.564 -13.860 1103 2HG1 VAL 51 2HG1 VAL 51 -24.333 2.185 -12.763 1104 3HG1 VAL 51 3HG1 VAL 51 -25.706 2.575 -13.799 1105 1HG2 VAL 51 1HG2 VAL 51 -22.804 3.344 -15.244 1106 2HG2 VAL 51 2HG2 VAL 51 -22.723 2.055 -16.446 1107 3HG2 VAL 51 3HG2 VAL 51 -21.926 1.857 -14.884 1108 H THR 52 HN THR 52 -24.472 -0.754 -12.026 1109 HA THR 52 HA THR 52 -26.799 -2.254 -12.968 1110 HB THR 52 HB THR 52 -27.030 -2.747 -10.591 1111 HG1 THR 52 HG1 THR 52 -26.659 -1.090 -9.362 1112 1HG2 THR 52 1HG2 THR 52 -24.106 -2.510 -11.344 1113 2HG2 THR 52 2HG2 THR 52 -25.176 -3.834 -11.803 1114 3HG2 THR 52 3HG2 THR 52 -24.773 -3.575 -10.105 1115 H GLU 53 HN GLU 53 -26.270 0.768 -11.132 1116 HA GLU 53 HA GLU 53 -28.868 1.817 -12.072 1117 1HB GLU 53 2HB GLU 53 -29.433 0.348 -10.176 1118 2HB GLU 53 1HB GLU 53 -28.278 1.209 -9.158 1119 1HG GLU 53 2HG GLU 53 -29.558 3.297 -9.465 1120 2HG GLU 53 1HG GLU 53 -30.717 2.437 -10.479 1121 H ILE 54 HN ILE 54 -29.022 4.099 -11.725 1122 HA ILE 54 HA ILE 54 -26.491 5.426 -10.797 1123 HB ILE 54 HB ILE 54 -28.825 6.256 -12.556 1124 1HG1 ILE 54 2HG1 ILE 54 -26.029 6.541 -13.442 1125 2HG1 ILE 54 1HG1 ILE 54 -26.530 4.876 -13.150 1126 1HG2 ILE 54 1HG2 ILE 54 -26.755 7.870 -11.140 1127 2HG2 ILE 54 2HG2 ILE 54 -28.397 8.312 -11.613 1128 3HG2 ILE 54 3HG2 ILE 54 -27.105 8.304 -12.814 1129 1HD1 ILE 54 1HD1 ILE 54 -26.964 6.142 -15.500 1130 2HD1 ILE 54 2HD1 ILE 54 -28.449 6.578 -14.653 1131 3HD1 ILE 54 3HD1 ILE 54 -28.032 4.879 -14.887 1132 H ASN 55 HN ASN 55 -26.547 6.588 -8.956 1133 HA ASN 55 HA ASN 55 -29.199 6.970 -7.611 1134 1HB ASN 55 2HB ASN 55 -26.352 6.567 -6.708 1135 2HB ASN 55 1HB ASN 55 -27.538 7.274 -5.610 1136 1HD2 ASN 55 1HD2 ASN 55 -26.460 4.304 -7.081 1137 2HD2 ASN 55 2HD2 ASN 55 -27.636 3.296 -6.388 1138 H GLY 56 HN GLY 56 -29.140 8.870 -9.336 1139 1HA GLY 56 2HA GLY 56 -29.151 11.238 -9.517 1140 2HA GLY 56 1HA GLY 56 -28.383 11.334 -7.930 1141 H ASN 57 HN ASN 57 -26.290 12.008 -7.978 1142 HA ASN 57 HA ASN 57 -24.790 12.009 -10.495 1143 1HB ASN 57 2HB ASN 57 -23.611 13.626 -9.416 1144 2HB ASN 57 1HB ASN 57 -24.843 13.506 -8.180 1145 1HD2 ASN 57 1HD2 ASN 57 -21.847 11.860 -9.141 1146 2HD2 ASN 57 2HD2 ASN 57 -21.279 11.576 -7.568 1147 H HIS 58 HN HIS 58 -25.207 9.948 -7.752 1148 HA HIS 58 HA HIS 58 -22.662 8.576 -7.853 1149 1HB HIS 58 2HB HIS 58 -25.380 8.143 -6.655 1150 2HB HIS 58 1HB HIS 58 -24.176 6.860 -6.568 1151 HD1 HIS 58 HD1 HIS 58 -25.361 9.254 -4.412 1152 HD2 HIS 58 HD2 HIS 58 -21.487 8.461 -5.744 1153 HE1 HIS 58 HE1 HIS 58 -23.788 10.244 -2.694 1154 H VAL 59 HN VAL 59 -22.390 6.321 -8.541 1155 HA VAL 59 HA VAL 59 -24.544 5.257 -10.273 1156 HB VAL 59 HB VAL 59 -21.671 5.752 -11.071 1157 1HG1 VAL 59 1HG1 VAL 59 -23.634 3.721 -11.969 1158 2HG1 VAL 59 2HG1 VAL 59 -21.872 3.693 -12.059 1159 3HG1 VAL 59 3HG1 VAL 59 -22.804 4.604 -13.250 1160 1HG2 VAL 59 1HG2 VAL 59 -23.466 6.477 -13.085 1161 2HG2 VAL 59 2HG2 VAL 59 -22.686 7.580 -11.950 1162 3HG2 VAL 59 3HG2 VAL 59 -24.292 6.936 -11.593 1163 H SER 60 HN SER 60 -24.950 3.243 -9.571 1164 HA SER 60 HA SER 60 -22.955 1.727 -7.988 1165 1HB SER 60 2HB SER 60 -25.737 0.906 -8.830 1166 2HB SER 60 1HB SER 60 -24.848 0.417 -7.392 1167 HG SER 60 HG SER 60 -26.026 1.987 -6.567 1168 H PHE 61 HN PHE 61 -21.696 0.133 -8.960 1169 HA PHE 61 HA PHE 61 -22.654 -0.929 -11.611 1170 1HB PHE 61 2HB PHE 61 -20.069 -1.193 -11.948 1171 2HB PHE 61 1HB PHE 61 -20.785 0.407 -12.121 1172 HD1 PHE 61 HD1 PHE 61 -20.718 2.010 -10.174 1173 HD2 PHE 61 HD2 PHE 61 -18.468 -1.652 -10.229 1174 HE1 PHE 61 HE1 PHE 61 -19.272 2.873 -8.355 1175 HE2 PHE 61 HE2 PHE 61 -17.016 -0.787 -8.410 1176 HZ PHE 61 HZ PHE 61 -17.418 1.477 -7.472 1177 H ASP 62 HN ASP 62 -22.091 -3.179 -12.017 1178 HA ASP 62 HA ASP 62 -22.355 -4.719 -9.538 1179 1HB ASP 62 2HB ASP 62 -23.022 -6.482 -11.059 1180 2HB ASP 62 1HB ASP 62 -23.726 -4.978 -11.646 1181 H LEU 63 HN LEU 63 -21.130 -6.534 -8.978 1182 HA LEU 63 HA LEU 63 -18.502 -6.979 -10.266 1183 1HB LEU 63 2HB LEU 63 -19.057 -5.149 -8.096 1184 2HB LEU 63 1HB LEU 63 -18.002 -6.433 -7.532 1185 HG LEU 63 HG LEU 63 -17.248 -5.406 -10.174 1186 1HD1 LEU 63 1HD1 LEU 63 -16.714 -3.205 -9.620 1187 2HD1 LEU 63 2HD1 LEU 63 -16.706 -3.536 -7.888 1188 3HD1 LEU 63 3HD1 LEU 63 -18.240 -3.411 -8.754 1189 1HD2 LEU 63 1HD2 LEU 63 -15.534 -5.287 -7.707 1190 2HD2 LEU 63 2HD2 LEU 63 -15.085 -5.735 -9.353 1191 3HD2 LEU 63 3HD2 LEU 63 -15.985 -6.868 -8.345 1192 H MET 64 HN MET 64 -18.225 -9.218 -10.087 1193 HA MET 64 HA MET 64 -19.844 -10.740 -8.160 1194 1HB MET 64 2HB MET 64 -17.733 -11.422 -10.216 1195 2HB MET 64 1HB MET 64 -18.486 -12.648 -9.200 1196 1HG MET 64 2HG MET 64 -20.700 -11.974 -10.034 1197 2HG MET 64 1HG MET 64 -19.946 -10.750 -11.051 1198 1HE MET 64 1HE MET 64 -18.810 -14.922 -10.719 1199 2HE MET 64 2HE MET 64 -20.459 -15.101 -11.313 1200 3HE MET 64 3HE MET 64 -20.148 -14.126 -9.880 1201 H LYS 65 HN LYS 65 -19.014 -11.840 -6.328 1202 HA LYS 65 HA LYS 65 -16.852 -10.654 -4.897 1203 1HB LYS 65 2HB LYS 65 -18.717 -11.948 -3.916 1204 2HB LYS 65 1HB LYS 65 -18.117 -13.409 -4.702 1205 1HG LYS 65 2HG LYS 65 -16.075 -13.346 -3.409 1206 2HG LYS 65 1HG LYS 65 -16.494 -11.768 -2.739 1207 1HD LYS 65 2HD LYS 65 -16.988 -13.555 -1.118 1208 2HD LYS 65 1HD LYS 65 -18.474 -12.763 -1.645 1209 1HE LYS 65 2HE LYS 65 -19.184 -14.605 -2.874 1210 2HE LYS 65 1HE LYS 65 -17.528 -15.175 -3.163 1211 1HZ LYS 65 1HZ LYS 65 -19.126 -15.347 -0.682 1212 2HZ LYS 65 2HZ LYS 65 -17.430 -15.422 -0.635 1213 3HZ LYS 65 3HZ LYS 65 -18.311 -16.588 -1.502 1214 H GLU 66 HN GLU 66 -17.014 -13.715 -6.754 1215 HA GLU 66 HA GLU 66 -14.225 -14.362 -6.371 1216 1HB GLU 66 2HB GLU 66 -15.998 -15.996 -6.897 1217 2HB GLU 66 1HB GLU 66 -16.259 -15.219 -8.459 1218 1HG GLU 66 2HG GLU 66 -13.936 -15.745 -9.111 1219 2HG GLU 66 1HG GLU 66 -13.676 -16.525 -7.551 1220 H THR 67 HN THR 67 -16.004 -12.704 -9.015 1221 HA THR 67 HA THR 67 -13.676 -12.378 -10.713 1222 HB THR 67 HB THR 67 -16.106 -10.586 -10.430 1223 HG1 THR 67 HG1 THR 67 -16.592 -12.193 -12.332 1224 1HG2 THR 67 1HG2 THR 67 -15.508 -9.688 -12.434 1225 2HG2 THR 67 2HG2 THR 67 -14.927 -11.230 -13.062 1226 3HG2 THR 67 3HG2 THR 67 -13.901 -10.270 -11.997 1227 H LEU 68 HN LEU 68 -15.054 -10.602 -7.998 1228 HA LEU 68 HA LEU 68 -13.485 -8.227 -8.117 1229 1HB LEU 68 2HB LEU 68 -15.493 -8.622 -6.736 1230 2HB LEU 68 1HB LEU 68 -14.619 -9.836 -5.806 1231 HG LEU 68 HG LEU 68 -12.907 -7.776 -5.530 1232 1HD1 LEU 68 1HD1 LEU 68 -14.744 -5.879 -4.950 1233 2HD1 LEU 68 2HD1 LEU 68 -15.543 -6.643 -6.324 1234 3HD1 LEU 68 3HD1 LEU 68 -13.926 -5.964 -6.510 1235 1HD2 LEU 68 1HD2 LEU 68 -15.336 -7.739 -3.783 1236 2HD2 LEU 68 2HD2 LEU 68 -13.631 -7.753 -3.328 1237 3HD2 LEU 68 3HD2 LEU 68 -14.409 -9.235 -3.889 1238 H ARG 69 HN ARG 69 -12.919 -11.365 -6.478 1239 HA ARG 69 HA ARG 69 -10.318 -10.631 -5.422 1240 1HB ARG 69 2HB ARG 69 -11.756 -12.418 -4.511 1241 2HB ARG 69 1HB ARG 69 -11.596 -13.319 -6.020 1242 1HG ARG 69 2HG ARG 69 -10.021 -14.175 -4.326 1243 2HG ARG 69 1HG ARG 69 -9.151 -13.452 -5.679 1244 1HD ARG 69 2HD ARG 69 -8.871 -11.357 -4.391 1245 2HD ARG 69 1HD ARG 69 -9.739 -12.087 -3.026 1246 HE ARG 69 HE ARG 69 -7.699 -13.900 -3.748 1247 1HH1 ARG 69 1HH1 ARG 69 -8.058 -10.675 -2.556 1248 2HH1 ARG 69 2HH1 ARG 69 -6.546 -10.682 -1.715 1249 1HH2 ARG 69 1HH2 ARG 69 -5.725 -13.915 -2.655 1250 2HH2 ARG 69 2HH2 ARG 69 -5.227 -12.511 -1.771 1251 H ILE 70 HN ILE 70 -11.394 -12.347 -8.359 1252 HA ILE 70 HA ILE 70 -8.816 -13.146 -9.277 1253 HB ILE 70 HB ILE 70 -11.454 -13.470 -9.939 1254 1HG1 ILE 70 2HG1 ILE 70 -9.090 -14.096 -11.719 1255 2HG1 ILE 70 1HG1 ILE 70 -9.557 -15.031 -10.299 1256 1HG2 ILE 70 1HG2 ILE 70 -11.648 -12.800 -12.344 1257 2HG2 ILE 70 2HG2 ILE 70 -10.183 -11.837 -12.147 1258 3HG2 ILE 70 3HG2 ILE 70 -11.635 -11.430 -11.234 1259 1HD1 ILE 70 1HD1 ILE 70 -10.509 -16.140 -12.210 1260 2HD1 ILE 70 2HD1 ILE 70 -11.158 -14.625 -12.836 1261 3HD1 ILE 70 3HD1 ILE 70 -11.834 -15.333 -11.369 1262 H THR 71 HN THR 71 -10.778 -10.268 -9.884 1263 HA THR 71 HA THR 71 -8.652 -8.950 -11.442 1264 HB THR 71 HB THR 71 -10.307 -7.212 -11.667 1265 HG1 THR 71 HG1 THR 71 -11.263 -8.373 -9.314 1266 1HG2 THR 71 1HG2 THR 71 -12.408 -9.144 -11.603 1267 2HG2 THR 71 2HG2 THR 71 -10.936 -9.948 -12.147 1268 3HG2 THR 71 3HG2 THR 71 -11.534 -8.525 -13.003 1269 H ASN 72 HN ASN 72 -8.535 -6.465 -10.511 1270 HA ASN 72 HA ASN 72 -7.786 -6.670 -7.627 1271 1HB ASN 72 2HB ASN 72 -5.886 -6.000 -8.827 1272 2HB ASN 72 1HB ASN 72 -6.833 -5.115 -10.009 1273 1HD2 ASN 72 1HD2 ASN 72 -5.777 -3.073 -9.778 1274 2HD2 ASN 72 2HD2 ASN 72 -5.821 -2.180 -8.330 1275 H LEU 73 HN LEU 73 -10.492 -6.341 -9.002 1276 HA LEU 73 HA LEU 73 -11.396 -3.619 -8.563 1277 1HB LEU 73 2HB LEU 73 -12.730 -6.340 -8.720 1278 2HB LEU 73 1HB LEU 73 -13.634 -4.830 -8.611 1279 HG LEU 73 HG LEU 73 -11.586 -5.414 -10.778 1280 1HD1 LEU 73 1HD1 LEU 73 -14.459 -5.258 -11.453 1281 2HD1 LEU 73 2HD1 LEU 73 -13.988 -6.689 -10.537 1282 3HD1 LEU 73 3HD1 LEU 73 -13.210 -6.334 -12.079 1283 1HD2 LEU 73 1HD2 LEU 73 -12.956 -3.494 -11.848 1284 2HD2 LEU 73 2HD2 LEU 73 -11.837 -3.065 -10.553 1285 3HD2 LEU 73 3HD2 LEU 73 -13.564 -3.197 -10.220 1286 H GLY 74 HN GLY 74 -11.344 -6.587 -6.582 1287 1HA GLY 74 2HA GLY 74 -12.873 -5.805 -4.411 1288 2HA GLY 74 1HA GLY 74 -11.467 -6.849 -4.262 1289 H ASP 75 HN ASP 75 -9.764 -4.571 -5.367 1290 HA ASP 75 HA ASP 75 -8.827 -3.619 -2.849 1291 1HB ASP 75 2HB ASP 75 -7.315 -2.320 -4.211 1292 2HB ASP 75 1HB ASP 75 -7.618 -3.829 -5.073 1293 H LEU 76 HN LEU 76 -11.407 -2.508 -4.857 1294 HA LEU 76 HA LEU 76 -11.431 0.276 -4.291 1295 1HB LEU 76 2HB LEU 76 -13.634 -1.737 -4.777 1296 2HB LEU 76 1HB LEU 76 -13.892 0.003 -4.780 1297 HG LEU 76 HG LEU 76 -11.880 -1.406 -6.553 1298 1HD1 LEU 76 1HD1 LEU 76 -13.552 -0.830 -8.368 1299 2HD1 LEU 76 2HD1 LEU 76 -14.710 -0.465 -7.090 1300 3HD1 LEU 76 3HD1 LEU 76 -14.077 -2.101 -7.265 1301 1HD2 LEU 76 1HD2 LEU 76 -11.119 0.728 -6.694 1302 2HD2 LEU 76 2HD2 LEU 76 -12.567 1.384 -5.930 1303 3HD2 LEU 76 3HD2 LEU 76 -12.562 1.033 -7.660 1304 H LYS 77 HN LYS 77 -12.339 1.461 -2.636 1305 HA LYS 77 HA LYS 77 -13.741 0.095 -0.407 1306 1HB LYS 77 2HB LYS 77 -11.114 1.601 -0.169 1307 2HB LYS 77 1HB LYS 77 -12.101 1.119 1.210 1308 1HG LYS 77 2HG LYS 77 -11.904 -1.245 0.530 1309 2HG LYS 77 1HG LYS 77 -10.914 -0.766 -0.848 1310 1HD LYS 77 2HD LYS 77 -9.235 0.192 0.684 1311 2HD LYS 77 1HD LYS 77 -10.222 -0.289 2.065 1312 1HE LYS 77 2HE LYS 77 -9.721 -2.541 1.811 1313 2HE LYS 77 1HE LYS 77 -9.477 -2.394 0.059 1314 1HZ LYS 77 1HZ LYS 77 -7.606 -0.745 0.895 1315 2HZ LYS 77 2HZ LYS 77 -7.313 -2.409 0.708 1316 3HZ LYS 77 3HZ LYS 77 -7.641 -1.768 2.248 1317 H VAL 78 HN VAL 78 -15.235 1.499 0.525 1318 HA VAL 78 HA VAL 78 -15.929 3.872 -0.871 1319 HB VAL 78 HB VAL 78 -16.620 2.967 1.944 1320 1HG1 VAL 78 1HG1 VAL 78 -17.310 5.326 0.489 1321 2HG1 VAL 78 2HG1 VAL 78 -17.940 4.788 2.048 1322 3HG1 VAL 78 3HG1 VAL 78 -18.749 4.297 0.556 1323 1HG2 VAL 78 1HG2 VAL 78 -17.440 2.134 -0.788 1324 2HG2 VAL 78 2HG2 VAL 78 -18.727 2.285 0.408 1325 3HG2 VAL 78 3HG2 VAL 78 -17.372 1.194 0.702 1326 H GLY 79 HN GLY 79 -15.641 6.063 -0.346 1327 1HA GLY 79 2HA GLY 79 -14.678 7.906 0.872 1328 2HA GLY 79 1HA GLY 79 -13.802 6.748 1.875 1329 H ASP 80 HN ASP 80 -13.354 5.376 -0.956 1330 HA ASP 80 HA ASP 80 -10.844 6.881 -1.553 1331 1HB ASP 80 2HB ASP 80 -10.947 4.378 -1.009 1332 2HB ASP 80 1HB ASP 80 -11.745 4.172 -2.563 1333 H TRP 81 HN TRP 81 -10.347 7.161 -3.889 1334 HA TRP 81 HA TRP 81 -12.842 7.476 -5.529 1335 1HB TRP 81 2HB TRP 81 -10.235 9.012 -5.423 1336 2HB TRP 81 1HB TRP 81 -11.397 9.214 -6.729 1337 HD1 TRP 81 HD1 TRP 81 -11.906 8.934 -2.893 1338 HE1 TRP 81 HE1 TRP 81 -13.384 10.894 -2.144 1339 HE3 TRP 81 HE3 TRP 81 -12.470 11.368 -7.349 1340 HZ2 TRP 81 HZ2 TRP 81 -14.631 13.207 -3.267 1341 HZ3 TRP 81 HZ3 TRP 81 -13.808 13.453 -7.479 1342 HH2 TRP 81 HH2 TRP 81 -14.889 14.372 -5.442 1343 H VAL 82 HN VAL 82 -12.552 7.050 -7.852 1344 HA VAL 82 HA VAL 82 -10.341 5.101 -8.433 1345 HB VAL 82 HB VAL 82 -12.284 3.788 -8.180 1346 1HG1 VAL 82 1HG1 VAL 82 -13.693 6.179 -9.338 1347 2HG1 VAL 82 2HG1 VAL 82 -14.000 5.356 -7.810 1348 3HG1 VAL 82 3HG1 VAL 82 -14.475 4.599 -9.331 1349 1HG2 VAL 82 1HG2 VAL 82 -12.668 2.896 -10.283 1350 2HG2 VAL 82 2HG2 VAL 82 -11.213 3.840 -10.610 1351 3HG2 VAL 82 3HG2 VAL 82 -12.803 4.486 -11.038 1352 H ASN 83 HN ASN 83 -9.741 4.995 -10.681 1353 HA ASN 83 HA ASN 83 -10.110 7.481 -12.246 1354 1HB ASN 83 2HB ASN 83 -8.337 5.155 -12.093 1355 2HB ASN 83 1HB ASN 83 -8.775 5.540 -13.744 1356 1HD2 ASN 83 1HD2 ASN 83 -6.324 6.149 -13.773 1357 2HD2 ASN 83 2HD2 ASN 83 -5.927 7.735 -13.318 1358 H VAL 84 HN VAL 84 -12.212 7.517 -13.089 1359 HA VAL 84 HA VAL 84 -13.255 4.948 -14.197 1360 HB VAL 84 HB VAL 84 -15.436 6.484 -14.166 1361 1HG1 VAL 84 1HG1 VAL 84 -14.315 5.456 -11.560 1362 2HG1 VAL 84 2HG1 VAL 84 -14.778 4.367 -12.871 1363 3HG1 VAL 84 3HG1 VAL 84 -15.986 5.420 -12.131 1364 1HG2 VAL 84 1HG2 VAL 84 -15.431 8.110 -12.395 1365 2HG2 VAL 84 2HG2 VAL 84 -14.052 8.493 -13.427 1366 3HG2 VAL 84 3HG2 VAL 84 -13.802 7.654 -11.896 1367 H GLU 85 HN GLU 85 -13.841 4.723 -16.272 1368 HA GLU 85 HA GLU 85 -13.644 7.099 -18.098 1369 1HB GLU 85 2HB GLU 85 -11.587 5.730 -18.148 1370 2HB GLU 85 1HB GLU 85 -12.549 4.293 -18.494 1371 1HG GLU 85 2HG GLU 85 -13.346 5.324 -20.588 1372 2HG GLU 85 1HG GLU 85 -12.381 6.761 -20.248 1373 H ARG 86 HN ARG 86 -15.126 7.030 -19.868 1374 HA ARG 86 HA ARG 86 -17.437 5.246 -19.466 1375 1HB ARG 86 2HB ARG 86 -18.504 6.774 -21.010 1376 2HB ARG 86 1HB ARG 86 -17.517 7.735 -19.909 1377 1HG ARG 86 2HG ARG 86 -15.703 7.792 -21.586 1378 2HG ARG 86 1HG ARG 86 -16.699 6.846 -22.691 1379 1HD ARG 86 2HD ARG 86 -18.440 8.662 -22.590 1380 2HD ARG 86 1HD ARG 86 -17.289 9.637 -21.653 1381 HE ARG 86 HE ARG 86 -15.914 8.671 -23.935 1382 1HH1 ARG 86 1HH1 ARG 86 -18.549 10.745 -23.097 1383 2HH1 ARG 86 2HH1 ARG 86 -18.342 11.775 -24.472 1384 1HH2 ARG 86 1HH2 ARG 86 -15.638 10.010 -25.732 1385 2HH2 ARG 86 2HH2 ARG 86 -16.699 11.361 -25.961 1386 H ALA 87 HN ALA 87 -17.849 3.454 -20.700 1387 HA ALA 87 HA ALA 87 -16.300 3.075 -23.252 1388 1HB ALA 87 1HB ALA 87 -15.753 0.926 -22.573 1389 2HB ALA 87 2HB ALA 87 -17.142 0.804 -21.495 1390 3HB ALA 87 3HB ALA 87 -15.742 1.764 -21.022 1391 H ALA 88 HN ALA 88 -17.450 2.154 -24.943 1392 HA ALA 88 HA ALA 88 -20.352 1.539 -24.490 1393 1HB ALA 88 1HB ALA 88 -20.208 3.813 -25.254 1394 2HB ALA 88 2HB ALA 88 -20.679 2.851 -26.656 1395 3HB ALA 88 3HB ALA 88 -19.007 3.385 -26.474 1396 H LYS 89 HN LYS 89 -21.249 0.100 -26.092 1397 HA LYS 89 HA LYS 89 -19.564 -1.989 -27.045 1398 1HB LYS 89 2HB LYS 89 -22.340 -1.013 -27.768 1399 2HB LYS 89 1HB LYS 89 -21.670 -2.529 -28.372 1400 1HG LYS 89 2HG LYS 89 -21.889 -3.575 -26.362 1401 2HG LYS 89 1HG LYS 89 -21.402 -2.141 -25.457 1402 1HD LYS 89 2HD LYS 89 -23.713 -2.548 -24.932 1403 2HD LYS 89 1HD LYS 89 -23.665 -1.148 -26.003 1404 1HE LYS 89 2HE LYS 89 -24.142 -2.656 -27.942 1405 2HE LYS 89 1HE LYS 89 -24.311 -4.008 -26.805 1406 1HZ LYS 89 1HZ LYS 89 -26.068 -1.740 -27.248 1407 2HZ LYS 89 2HZ LYS 89 -25.803 -2.138 -25.617 1408 3HZ LYS 89 3HZ LYS 89 -26.433 -3.297 -26.687 1409 H PHE 90 HN PHE 90 -20.880 0.888 -28.688 1410 HA PHE 90 HA PHE 90 -18.970 0.371 -30.942 1411 1HB PHE 90 2HB PHE 90 -20.754 0.988 -32.475 1412 2HB PHE 90 1HB PHE 90 -21.360 -0.269 -31.399 1413 HD1 PHE 90 HD1 PHE 90 -22.837 0.331 -29.470 1414 HD2 PHE 90 HD2 PHE 90 -21.655 3.213 -32.433 1415 HE1 PHE 90 HE1 PHE 90 -24.657 1.845 -28.724 1416 HE2 PHE 90 HE2 PHE 90 -23.475 4.727 -31.687 1417 HZ PHE 90 HZ PHE 90 -24.976 4.042 -29.832 1418 H SER 91 HN SER 91 -18.430 2.375 -32.147 1419 HA SER 91 HA SER 91 -18.550 4.780 -30.356 1420 1HB SER 91 2HB SER 91 -16.453 3.706 -32.262 1421 2HB SER 91 1HB SER 91 -16.338 5.285 -31.490 1422 HG SER 91 HG SER 91 -15.788 4.335 -29.700 1423 H ASP 92 HN ASP 92 -19.084 6.764 -31.294 1424 HA ASP 92 HA ASP 92 -20.645 6.838 -33.685 1425 1HB ASP 92 2HB ASP 92 -19.199 8.928 -32.032 1426 2HB ASP 92 1HB ASP 92 -20.304 9.341 -33.345 1427 H GLU 93 HN GLU 93 -17.235 7.650 -33.063 1428 HA GLU 93 HA GLU 93 -16.762 7.628 -36.019 1429 1HB GLU 93 2HB GLU 93 -15.394 9.677 -35.688 1430 2HB GLU 93 1HB GLU 93 -17.072 9.935 -35.209 1431 1HG GLU 93 2HG GLU 93 -16.308 9.271 -32.837 1432 2HG GLU 93 1HG GLU 93 -14.667 9.513 -33.435 1433 H ILE 94 HN ILE 94 -16.105 5.402 -34.667 1434 HA ILE 94 HA ILE 94 -14.234 3.977 -34.070 1435 HB ILE 94 HB ILE 94 -13.130 6.230 -35.758 1436 1HG1 ILE 94 2HG1 ILE 94 -14.719 4.711 -36.844 1437 2HG1 ILE 94 1HG1 ILE 94 -13.097 4.455 -37.490 1438 1HG2 ILE 94 1HG2 ILE 94 -11.117 5.566 -34.850 1439 2HG2 ILE 94 2HG2 ILE 94 -11.275 4.311 -36.080 1440 3HG2 ILE 94 3HG2 ILE 94 -11.727 3.970 -34.409 1441 1HD1 ILE 94 1HD1 ILE 94 -13.042 2.697 -35.438 1442 2HD1 ILE 94 2HD1 ILE 94 -13.593 2.261 -37.055 1443 3HD1 ILE 94 3HD1 ILE 94 -14.767 2.668 -35.803 1444 H GLY 95 HN GLY 95 -15.011 6.485 -32.423 1445 1HA GLY 95 2HA GLY 95 -12.535 7.405 -31.208 1446 2HA GLY 95 1HA GLY 95 -14.157 7.679 -30.574 1447 H GLY 96 HN GLY 96 -11.878 4.949 -31.036 1448 1HA GLY 96 2HA GLY 96 -13.041 3.480 -28.798 1449 2HA GLY 96 1HA GLY 96 -11.586 3.028 -29.687 1450 H HIS 97 HN HIS 97 -12.107 3.221 -26.723 1451 HA HIS 97 HA HIS 97 -10.992 4.024 -24.796 1452 1HB HIS 97 2HB HIS 97 -8.981 4.018 -27.040 1453 2HB HIS 97 1HB HIS 97 -8.505 4.559 -25.430 1454 HD1 HIS 97 HD1 HIS 97 -8.861 2.782 -23.452 1455 HD2 HIS 97 HD2 HIS 97 -9.181 1.245 -27.313 1456 HE1 HIS 97 HE1 HIS 97 -8.687 0.264 -23.237 1457 HN3 RBF 98 HN3 RBF 98 4.115 6.474 -13.245 1458 HC6 RBF 98 HC6 RBF 98 3.406 4.879 -19.984 1459 1HC7 RBF 98 1HC7 RBF 98 2.498 4.399 -22.188 1460 2HC7 RBF 98 2HC7 RBF 98 3.010 5.928 -22.934 1461 3HC7 RBF 98 3HC7 RBF 98 1.294 5.468 -22.940 1462 1HC8 RBF 98 1HC8 RBF 98 -0.027 6.829 -22.705 1463 2HC8 RBF 98 2HC8 RBF 98 1.064 8.223 -22.851 1464 3HC8 RBF 98 3HC8 RBF 98 -0.422 8.356 -21.885 1465 HC9 RBF 98 HC9 RBF 98 0.281 8.725 -19.672 1466 1HC1 RBF 98 1HC1 RBF 98 0.698 9.897 -18.121 1467 2HC1 RBF 98 2HC1 RBF 98 0.792 9.796 -16.351 1468 HC2* RBF 98 HC2* RBF 98 -1.101 8.373 -16.216 1469 HO2* RBF 98 HO2* RBF 98 -0.555 6.896 -17.870 1470 HC3* RBF 98 HC3* RBF 98 -2.851 9.559 -17.424 1471 HO3* RBF 98 HO3* RBF 98 -2.470 10.316 -19.381 1472 HC4* RBF 98 HC4* RBF 98 -0.526 11.425 -16.798 1473 HO4* RBF 98 HO4* RBF 98 -2.377 11.188 -14.837 1474 1HC5 RBF 98 1HC5 RBF 98 -2.271 13.075 -16.349 1475 2HC5 RBF 98 2HC5 RBF 98 -2.475 12.446 -17.996 1476 HO5* RBF 98 HO5* RBF 98 -4.406 11.773 -17.414 1477 HN3 RBF 99 HN3 RBF 99 -18.559 -6.318 -12.298 1478 HC6 RBF 99 HC6 RBF 99 -18.086 -5.334 -19.174 1479 1HC7 RBF 99 1HC7 RBF 99 -17.255 -5.047 -21.441 1480 2HC7 RBF 99 2HC7 RBF 99 -17.768 -6.644 -22.028 1481 3HC7 RBF 99 3HC7 RBF 99 -16.059 -6.166 -22.132 1482 1HC8 RBF 99 1HC8 RBF 99 -14.713 -7.485 -21.816 1483 2HC8 RBF 99 2HC8 RBF 99 -15.789 -8.899 -21.801 1484 3HC8 RBF 99 3HC8 RBF 99 -14.272 -8.927 -20.876 1485 HC9 RBF 99 HC9 RBF 99 -14.898 -9.102 -18.617 1486 1HC1 RBF 99 1HC1 RBF 99 -15.250 -10.131 -16.953 1487 2HC1 RBF 99 2HC1 RBF 99 -15.290 -9.870 -15.198 1488 HC2* RBF 99 HC2* RBF 99 -13.417 -8.419 -15.251 1489 HO2* RBF 99 HO2* RBF 99 -14.033 -7.105 -17.016 1490 HC3* RBF 99 HC3* RBF 99 -11.687 -9.691 -16.405 1491 HO3* RBF 99 HO3* RBF 99 -12.119 -10.628 -18.272 1492 HC4* RBF 99 HC4* RBF 99 -13.965 -11.519 -15.537 1493 HO4* RBF 99 HO4* RBF 99 -12.055 -11.083 -13.668 1494 1HC5 RBF 99 1HC5 RBF 99 -12.182 -13.100 -14.997 1495 2HC5 RBF 99 2HC5 RBF 99 -12.040 -12.623 -16.702 1496 HO5* RBF 99 HO5* RBF 99 -10.101 -11.877 -16.245 Start of MODEL 6 1 1H MET 1 1HT MET 1 -16.924 -3.579 -28.871 2 2H MET 1 2HT MET 1 -17.210 -4.807 -30.010 3 3H MET 1 3HT MET 1 -15.881 -3.766 -30.196 4 HA MET 1 HA MET 1 -16.251 -5.895 -28.161 5 1HB MET 1 2HB MET 1 -14.195 -5.258 -30.304 6 2HB MET 1 1HB MET 1 -14.147 -6.664 -29.240 7 1HG MET 1 2HG MET 1 -16.394 -6.021 -31.175 8 2HG MET 1 1HG MET 1 -15.130 -7.219 -31.451 9 1HE MET 1 1HE MET 1 -14.480 -8.856 -30.066 10 2HE MET 1 2HE MET 1 -15.626 -10.085 -29.538 11 3HE MET 1 3HE MET 1 -14.991 -8.925 -28.374 12 H PHE 2 HN PHE 2 -15.356 -5.445 -26.172 13 HA PHE 2 HA PHE 2 -12.898 -3.944 -25.876 14 1HB PHE 2 2HB PHE 2 -13.762 -1.916 -25.045 15 2HB PHE 2 1HB PHE 2 -14.845 -2.271 -26.389 16 HD1 PHE 2 HD1 PHE 2 -14.833 -1.118 -23.148 17 HD2 PHE 2 HD2 PHE 2 -16.806 -4.068 -25.569 18 HE1 PHE 2 HE1 PHE 2 -16.715 -1.171 -21.540 19 HE2 PHE 2 HE2 PHE 2 -18.706 -4.106 -23.971 20 HZ PHE 2 HZ PHE 2 -18.664 -2.655 -21.958 21 H THR 3 HN THR 3 -11.990 -4.679 -23.972 22 HA THR 3 HA THR 3 -13.851 -5.844 -21.929 23 HB THR 3 HB THR 3 -12.271 -7.688 -21.739 24 HG1 THR 3 HG1 THR 3 -10.287 -7.319 -22.238 25 1HG2 THR 3 1HG2 THR 3 -13.312 -8.599 -23.504 26 2HG2 THR 3 2HG2 THR 3 -12.116 -7.858 -24.563 27 3HG2 THR 3 3HG2 THR 3 -13.614 -7.003 -24.192 28 H GLY 4 HN GLY 4 -10.820 -4.180 -22.611 29 1HA GLY 4 2HA GLY 4 -9.227 -3.223 -21.168 30 2HA GLY 4 1HA GLY 4 -10.633 -2.697 -20.238 31 H ILE 5 HN ILE 5 -10.109 -6.124 -20.735 32 HA ILE 5 HA ILE 5 -9.920 -6.486 -17.819 33 HB ILE 5 HB ILE 5 -9.932 -8.436 -20.148 34 1HG1 ILE 5 2HG1 ILE 5 -12.138 -7.454 -18.309 35 2HG1 ILE 5 1HG1 ILE 5 -11.975 -7.086 -20.022 36 1HG2 ILE 5 1HG2 ILE 5 -9.287 -8.878 -17.453 37 2HG2 ILE 5 2HG2 ILE 5 -9.726 -10.101 -18.646 38 3HG2 ILE 5 3HG2 ILE 5 -10.965 -9.394 -17.611 39 1HD1 ILE 5 1HD1 ILE 5 -12.684 -9.165 -20.683 40 2HD1 ILE 5 2HD1 ILE 5 -13.488 -9.129 -19.114 41 3HD1 ILE 5 3HD1 ILE 5 -11.946 -9.964 -19.297 42 H VAL 6 HN VAL 6 -8.133 -7.308 -16.708 43 HA VAL 6 HA VAL 6 -5.530 -6.891 -18.012 44 HB VAL 6 HB VAL 6 -6.666 -7.144 -15.262 45 1HG1 VAL 6 1HG1 VAL 6 -4.423 -7.322 -14.269 46 2HG1 VAL 6 2HG1 VAL 6 -3.717 -7.492 -15.876 47 3HG1 VAL 6 3HG1 VAL 6 -4.773 -8.753 -15.241 48 1HG2 VAL 6 1HG2 VAL 6 -6.245 -4.939 -15.398 49 2HG2 VAL 6 2HG2 VAL 6 -5.497 -5.167 -16.980 50 3HG2 VAL 6 3HG2 VAL 6 -4.522 -5.303 -15.517 51 H GLN 7 HN GLN 7 -3.961 -8.442 -18.313 52 HA GLN 7 HA GLN 7 -4.770 -11.182 -18.714 53 1HB GLN 7 2HB GLN 7 -2.107 -9.733 -18.642 54 2HB GLN 7 1HB GLN 7 -2.290 -11.410 -19.159 55 1HG GLN 7 2HG GLN 7 -3.865 -10.699 -20.921 56 2HG GLN 7 1HG GLN 7 -3.681 -9.021 -20.407 57 1HE2 GLN 7 1HE2 GLN 7 -2.919 -10.200 -23.048 58 2HE2 GLN 7 2HE2 GLN 7 -1.255 -9.915 -23.217 59 H GLY 8 HN GLY 8 -3.091 -9.474 -16.063 60 1HA GLY 8 2HA GLY 8 -3.225 -11.964 -14.435 61 2HA GLY 8 1HA GLY 8 -1.620 -11.369 -14.846 62 H THR 9 HN THR 9 -1.832 -11.416 -12.266 63 HA THR 9 HA THR 9 -2.640 -8.644 -11.451 64 HB THR 9 HB THR 9 -3.157 -9.870 -9.218 65 HG1 THR 9 HG1 THR 9 -3.124 -11.969 -9.272 66 1HG2 THR 9 1HG2 THR 9 -4.864 -8.909 -10.738 67 2HG2 THR 9 2HG2 THR 9 -5.419 -10.416 -10.007 68 3HG2 THR 9 3HG2 THR 9 -4.850 -10.405 -11.677 69 H ALA 10 HN ALA 10 -1.533 -7.964 -9.406 70 HA ALA 10 HA ALA 10 1.238 -9.077 -9.101 71 1HB ALA 10 1HB ALA 10 1.360 -6.266 -8.984 72 2HB ALA 10 2HB ALA 10 0.300 -6.617 -10.353 73 3HB ALA 10 3HB ALA 10 1.935 -7.285 -10.302 74 H LYS 11 HN LYS 11 2.129 -8.673 -7.024 75 HA LYS 11 HA LYS 11 0.099 -7.781 -5.001 76 1HB LYS 11 2HB LYS 11 0.918 -10.092 -4.864 77 2HB LYS 11 1HB LYS 11 2.574 -9.504 -4.806 78 1HG LYS 11 2HG LYS 11 2.146 -8.343 -2.710 79 2HG LYS 11 1HG LYS 11 0.446 -8.804 -2.773 80 1HD LYS 11 2HD LYS 11 0.860 -10.925 -2.066 81 2HD LYS 11 1HD LYS 11 2.355 -11.049 -2.996 82 1HE LYS 11 2HE LYS 11 3.487 -9.572 -1.321 83 2HE LYS 11 1HE LYS 11 1.995 -9.582 -0.355 84 1HZ LYS 11 1HZ LYS 11 3.893 -11.424 -0.087 85 2HZ LYS 11 2HZ LYS 11 2.951 -12.169 -1.289 86 3HZ LYS 11 3HZ LYS 11 2.253 -11.744 0.201 87 H LEU 12 HN LEU 12 0.482 -5.705 -4.324 88 HA LEU 12 HA LEU 12 2.987 -4.296 -4.487 89 1HB LEU 12 2HB LEU 12 0.482 -3.554 -4.040 90 2HB LEU 12 1HB LEU 12 0.900 -3.852 -2.367 91 HG LEU 12 HG LEU 12 2.694 -2.236 -2.453 92 1HD1 LEU 12 1HD1 LEU 12 3.736 -2.351 -4.513 93 2HD1 LEU 12 2HD1 LEU 12 2.744 -0.917 -4.781 94 3HD1 LEU 12 3HD1 LEU 12 2.213 -2.484 -5.391 95 1HD2 LEU 12 1HD2 LEU 12 0.990 -0.433 -3.864 96 2HD2 LEU 12 2HD2 LEU 12 1.132 -0.643 -2.119 97 3HD2 LEU 12 3HD2 LEU 12 -0.048 -1.590 -3.029 98 H VAL 13 HN VAL 13 4.757 -4.593 -3.238 99 HA VAL 13 HA VAL 13 4.404 -6.024 -0.627 100 HB VAL 13 HB VAL 13 5.338 -7.572 -2.139 101 1HG1 VAL 13 1HG1 VAL 13 6.465 -5.185 -3.378 102 2HG1 VAL 13 2HG1 VAL 13 6.078 -6.752 -4.096 103 3HG1 VAL 13 3HG1 VAL 13 7.622 -6.511 -3.274 104 1HG2 VAL 13 1HG2 VAL 13 7.639 -6.188 -0.740 105 2HG2 VAL 13 2HG2 VAL 13 7.695 -7.825 -1.394 106 3HG2 VAL 13 3HG2 VAL 13 6.615 -7.448 -0.051 107 H SER 14 HN SER 14 6.075 -3.573 -2.497 108 HA SER 14 HA SER 14 6.895 -2.287 0.067 109 1HB SER 14 2HB SER 14 8.599 -3.878 -1.598 110 2HB SER 14 1HB SER 14 9.157 -2.210 -1.655 111 HG SER 14 HG SER 14 8.693 -3.822 0.636 112 H ILE 15 HN ILE 15 7.080 -0.043 -0.120 113 HA ILE 15 HA ILE 15 6.582 1.120 -2.842 114 HB ILE 15 HB ILE 15 6.264 2.482 -0.160 115 1HG1 ILE 15 2HG1 ILE 15 4.279 0.795 -1.706 116 2HG1 ILE 15 1HG1 ILE 15 4.898 0.503 -0.086 117 1HG2 ILE 15 1HG2 ILE 15 4.429 3.586 -1.773 118 2HG2 ILE 15 2HG2 ILE 15 5.555 3.025 -3.010 119 3HG2 ILE 15 3HG2 ILE 15 6.108 4.137 -1.759 120 1HD1 ILE 15 1HD1 ILE 15 2.671 2.157 -0.892 121 2HD1 ILE 15 2HD1 ILE 15 3.872 3.123 -0.034 122 3HD1 ILE 15 3HD1 ILE 15 3.176 1.697 0.734 123 H ASP 16 HN ASP 16 8.048 2.599 -3.620 124 HA ASP 16 HA ASP 16 10.387 3.276 -1.893 125 1HB ASP 16 2HB ASP 16 9.998 2.870 -4.850 126 2HB ASP 16 1HB ASP 16 11.375 3.793 -4.247 127 H GLU 17 HN GLU 17 10.076 5.314 -1.067 128 HA GLU 17 HA GLU 17 8.507 7.281 -2.664 129 1HB GLU 17 2HB GLU 17 9.399 7.073 0.224 130 2HB GLU 17 1HB GLU 17 8.549 8.480 -0.417 131 1HG GLU 17 2HG GLU 17 6.659 7.062 -1.083 132 2HG GLU 17 1HG GLU 17 7.510 5.631 -0.500 133 H LYS 18 HN LYS 18 9.781 8.548 -3.977 134 HA LYS 18 HA LYS 18 12.419 9.480 -2.906 135 1HB LYS 18 2HB LYS 18 11.480 9.660 -5.769 136 2HB LYS 18 1HB LYS 18 13.131 9.614 -5.159 137 1HG LYS 18 2HG LYS 18 12.030 7.237 -4.228 138 2HG LYS 18 1HG LYS 18 11.348 7.404 -5.847 139 1HD LYS 18 2HD LYS 18 13.428 6.257 -6.128 140 2HD LYS 18 1HD LYS 18 13.714 7.919 -6.645 141 1HE LYS 18 2HE LYS 18 15.282 8.209 -5.040 142 2HE LYS 18 1HE LYS 18 14.168 7.631 -3.785 143 1HZ LYS 18 1HZ LYS 18 15.428 5.780 -5.717 144 2HZ LYS 18 2HZ LYS 18 14.694 5.414 -4.229 145 3HZ LYS 18 3HZ LYS 18 16.201 6.196 -4.267 146 HA PRO 19 HA PRO 19 10.517 13.413 -2.278 147 1HB PRO 19 2HB PRO 19 12.882 14.883 -2.717 148 2HB PRO 19 1HB PRO 19 12.311 14.261 -1.159 149 1HG PRO 19 2HG PRO 19 14.362 13.172 -2.989 150 2HG PRO 19 1HG PRO 19 14.244 13.067 -1.226 151 1HD PRO 19 2HD PRO 19 13.705 10.972 -2.851 152 2HD PRO 19 1HD PRO 19 12.880 11.217 -1.294 153 H ASN 20 HN ASN 20 12.172 12.423 -5.151 154 HA ASN 20 HA ASN 20 11.253 14.832 -6.655 155 1HB ASN 20 2HB ASN 20 12.877 12.478 -7.649 156 2HB ASN 20 1HB ASN 20 12.835 14.118 -8.298 157 1HD2 ASN 20 1HD2 ASN 20 14.060 12.134 -5.620 158 2HD2 ASN 20 2HD2 ASN 20 15.181 13.276 -5.059 159 H PHE 21 HN PHE 21 10.663 11.404 -6.236 160 HA PHE 21 HA PHE 21 8.194 11.589 -7.840 161 1HB PHE 21 2HB PHE 21 10.504 9.755 -8.573 162 2HB PHE 21 1HB PHE 21 8.923 9.764 -9.353 163 HD1 PHE 21 HD1 PHE 21 12.182 11.333 -9.163 164 HD2 PHE 21 HD2 PHE 21 8.148 11.857 -10.555 165 HE1 PHE 21 HE1 PHE 21 12.939 13.151 -10.674 166 HE2 PHE 21 HE2 PHE 21 8.905 13.677 -12.066 167 HZ PHE 21 HZ PHE 21 11.301 14.324 -12.125 168 H ARG 22 HN ARG 22 6.748 9.824 -7.319 169 HA ARG 22 HA ARG 22 7.604 8.201 -4.977 170 1HB ARG 22 2HB ARG 22 5.460 9.431 -4.890 171 2HB ARG 22 1HB ARG 22 4.906 8.539 -6.304 172 1HG ARG 22 2HG ARG 22 5.119 6.422 -5.083 173 2HG ARG 22 1HG ARG 22 5.717 7.289 -3.669 174 1HD ARG 22 2HD ARG 22 3.580 8.498 -3.479 175 2HD ARG 22 1HD ARG 22 2.968 7.657 -4.919 176 HE ARG 22 HE ARG 22 3.769 5.557 -3.391 177 1HH1 ARG 22 1HH1 ARG 22 1.918 8.391 -2.674 178 2HH1 ARG 22 2HH1 ARG 22 1.022 7.634 -1.403 179 1HH2 ARG 22 1HH2 ARG 22 2.600 4.570 -1.739 180 2HH2 ARG 22 2HH2 ARG 22 1.404 5.477 -0.875 181 H THR 23 HN THR 23 7.783 6.016 -5.097 182 HA THR 23 HA THR 23 7.512 4.741 -7.792 183 HB THR 23 HB THR 23 9.677 4.487 -5.676 184 HG1 THR 23 HG1 THR 23 9.904 5.540 -8.286 185 1HG2 THR 23 1HG2 THR 23 10.201 3.508 -8.396 186 2HG2 THR 23 2HG2 THR 23 8.932 2.614 -7.560 187 3HG2 THR 23 3HG2 THR 23 10.537 2.746 -6.842 188 H HIS 24 HN HIS 24 6.666 2.628 -7.759 189 HA HIS 24 HA HIS 24 6.131 1.454 -5.056 190 1HB HIS 24 2HB HIS 24 4.375 2.358 -7.188 191 2HB HIS 24 1HB HIS 24 4.079 0.672 -6.757 192 HD1 HIS 24 HD1 HIS 24 2.693 3.702 -5.877 193 HD2 HIS 24 HD2 HIS 24 4.484 0.741 -3.557 194 HE1 HIS 24 HE1 HIS 24 1.895 4.069 -3.499 195 H VAL 25 HN VAL 25 6.357 -0.793 -4.900 196 HA VAL 25 HA VAL 25 7.232 -2.202 -7.396 197 HB VAL 25 HB VAL 25 8.116 -2.770 -4.572 198 1HG1 VAL 25 1HG1 VAL 25 9.248 -3.441 -7.296 199 2HG1 VAL 25 2HG1 VAL 25 8.517 -4.567 -6.154 200 3HG1 VAL 25 3HG1 VAL 25 10.055 -3.794 -5.769 201 1HG2 VAL 25 1HG2 VAL 25 10.150 -1.462 -6.123 202 2HG2 VAL 25 2HG2 VAL 25 9.446 -0.951 -4.588 203 3HG2 VAL 25 3HG2 VAL 25 8.705 -0.451 -6.109 204 H VAL 26 HN VAL 26 6.147 -4.032 -7.852 205 HA VAL 26 HA VAL 26 4.316 -5.168 -5.770 206 HB VAL 26 HB VAL 26 2.960 -5.854 -7.719 207 1HG1 VAL 26 1HG1 VAL 26 3.599 -3.124 -6.990 208 2HG1 VAL 26 2HG1 VAL 26 2.038 -3.813 -7.434 209 3HG1 VAL 26 3HG1 VAL 26 3.127 -3.214 -8.686 210 1HG2 VAL 26 1HG2 VAL 26 3.615 -5.349 -9.967 211 2HG2 VAL 26 2HG2 VAL 26 5.014 -6.111 -9.212 212 3HG2 VAL 26 3HG2 VAL 26 4.970 -4.360 -9.421 213 H GLU 27 HN GLU 27 3.865 -7.599 -6.326 214 HA GLU 27 HA GLU 27 6.473 -8.971 -6.751 215 1HB GLU 27 2HB GLU 27 4.729 -9.040 -4.698 216 2HB GLU 27 1HB GLU 27 4.004 -10.270 -5.727 217 1HG GLU 27 2HG GLU 27 5.933 -11.633 -5.664 218 2HG GLU 27 1HG GLU 27 6.942 -10.320 -5.059 219 H LEU 28 HN LEU 28 6.680 -9.809 -8.764 220 HA LEU 28 HA LEU 28 4.405 -10.036 -10.550 221 1HB LEU 28 2HB LEU 28 6.981 -9.414 -10.826 222 2HB LEU 28 1HB LEU 28 7.133 -11.146 -11.105 223 HG LEU 28 HG LEU 28 5.589 -11.050 -12.964 224 1HD1 LEU 28 1HD1 LEU 28 3.906 -9.543 -12.808 225 2HD1 LEU 28 2HD1 LEU 28 5.059 -8.338 -13.383 226 3HD1 LEU 28 3HD1 LEU 28 4.806 -8.562 -11.652 227 1HD2 LEU 28 1HD2 LEU 28 7.428 -8.642 -13.134 228 2HD2 LEU 28 2HD2 LEU 28 6.816 -9.595 -14.484 229 3HD2 LEU 28 3HD2 LEU 28 7.961 -10.307 -13.349 230 HA PRO 29 HA PRO 29 3.480 -14.203 -9.250 231 1HB PRO 29 2HB PRO 29 1.693 -14.695 -11.293 232 2HB PRO 29 1HB PRO 29 1.280 -13.887 -9.773 233 1HG PRO 29 2HG PRO 29 1.825 -12.719 -12.444 234 2HG PRO 29 1HG PRO 29 0.688 -12.198 -11.190 235 1HD PRO 29 2HD PRO 29 3.040 -10.943 -11.658 236 2HD PRO 29 1HD PRO 29 2.283 -11.007 -10.054 237 H ASP 30 HN ASP 30 3.388 -16.381 -10.483 238 HA ASP 30 HA ASP 30 5.874 -16.827 -11.751 239 1HB ASP 30 2HB ASP 30 4.464 -18.490 -10.564 240 2HB ASP 30 1HB ASP 30 3.302 -18.433 -11.890 241 H HIS 31 HN HIS 31 2.640 -16.319 -13.197 242 HA HIS 31 HA HIS 31 3.742 -16.795 -15.886 243 1HB HIS 31 2HB HIS 31 1.419 -16.659 -16.567 244 2HB HIS 31 1HB HIS 31 1.511 -17.615 -15.094 245 HD1 HIS 31 HD1 HIS 31 1.976 -14.607 -13.567 246 HD2 HIS 31 HD2 HIS 31 -1.305 -16.123 -15.633 247 HE1 HIS 31 HE1 HIS 31 -0.048 -13.314 -12.754 248 H MET 32 HN MET 32 3.778 -14.164 -13.881 249 HA MET 32 HA MET 32 3.748 -12.269 -16.211 250 1HB MET 32 2HB MET 32 3.393 -11.875 -13.228 251 2HB MET 32 1HB MET 32 3.614 -10.537 -14.355 252 1HG MET 32 2HG MET 32 1.408 -12.605 -14.540 253 2HG MET 32 1HG MET 32 1.211 -10.977 -13.891 254 1HE MET 32 1HE MET 32 2.841 -9.023 -15.755 255 2HE MET 32 2HE MET 32 1.261 -8.944 -14.981 256 3HE MET 32 3HE MET 32 1.409 -8.596 -16.702 257 H LEU 33 HN LEU 33 5.688 -13.981 -13.985 258 HA LEU 33 HA LEU 33 7.893 -12.139 -13.687 259 1HB LEU 33 2HB LEU 33 7.387 -15.086 -13.372 260 2HB LEU 33 1HB LEU 33 9.036 -14.472 -13.248 261 HG LEU 33 HG LEU 33 6.798 -13.191 -11.677 262 1HD1 LEU 33 1HD1 LEU 33 7.492 -15.875 -11.406 263 2HD1 LEU 33 2HD1 LEU 33 6.721 -14.878 -10.172 264 3HD1 LEU 33 3HD1 LEU 33 8.475 -15.067 -10.185 265 1HD2 LEU 33 1HD2 LEU 33 8.531 -12.225 -10.458 266 2HD2 LEU 33 2HD2 LEU 33 9.260 -12.315 -12.062 267 3HD2 LEU 33 3HD2 LEU 33 9.661 -13.524 -10.841 268 H ASP 34 HN ASP 34 7.157 -14.737 -16.000 269 HA ASP 34 HA ASP 34 9.716 -14.506 -17.373 270 1HB ASP 34 2HB ASP 34 8.262 -16.555 -17.104 271 2HB ASP 34 1HB ASP 34 7.123 -15.821 -18.233 272 H GLY 35 HN GLY 35 10.182 -12.958 -18.889 273 1HA GLY 35 2HA GLY 35 9.647 -12.028 -21.085 274 2HA GLY 35 1HA GLY 35 7.949 -11.997 -20.615 275 H LEU 36 HN LEU 36 8.052 -10.716 -18.151 276 HA LEU 36 HA LEU 36 8.165 -7.990 -18.990 277 1HB LEU 36 2HB LEU 36 6.748 -9.050 -17.191 278 2HB LEU 36 1HB LEU 36 8.185 -9.097 -16.168 279 HG LEU 36 HG LEU 36 7.325 -6.523 -17.471 280 1HD1 LEU 36 1HD1 LEU 36 5.742 -7.986 -15.639 281 2HD1 LEU 36 2HD1 LEU 36 5.530 -6.306 -16.132 282 3HD1 LEU 36 3HD1 LEU 36 6.501 -6.693 -14.711 283 1HD2 LEU 36 1HD2 LEU 36 8.380 -6.341 -14.802 284 2HD2 LEU 36 2HD2 LEU 36 9.083 -5.736 -16.302 285 3HD2 LEU 36 3HD2 LEU 36 9.433 -7.379 -15.764 286 H GLU 37 HN GLU 37 9.650 -6.335 -18.493 287 HA GLU 37 HA GLU 37 12.145 -7.014 -17.037 288 1HB GLU 37 2HB GLU 37 13.521 -6.468 -18.954 289 2HB GLU 37 1HB GLU 37 12.328 -7.654 -19.482 290 1HG GLU 37 2HG GLU 37 10.909 -5.839 -20.364 291 2HG GLU 37 1HG GLU 37 12.103 -4.652 -19.839 292 H THR 38 HN THR 38 13.518 -4.932 -16.838 293 HA THR 38 HA THR 38 11.880 -2.759 -15.901 294 HB THR 38 HB THR 38 14.402 -1.748 -16.256 295 HG1 THR 38 HG1 THR 38 15.817 -3.445 -15.988 296 1HG2 THR 38 1HG2 THR 38 13.018 -3.287 -14.124 297 2HG2 THR 38 2HG2 THR 38 13.631 -1.634 -14.100 298 3HG2 THR 38 3HG2 THR 38 14.745 -2.990 -13.923 299 H GLY 39 HN GLY 39 11.545 -0.680 -16.867 300 1HA GLY 39 2HA GLY 39 11.479 0.914 -18.628 301 2HA GLY 39 1HA GLY 39 12.466 -0.162 -19.611 302 H ALA 40 HN ALA 40 10.314 -2.255 -18.520 303 HA ALA 40 HA ALA 40 8.617 -2.252 -20.885 304 1HB ALA 40 1HB ALA 40 9.192 -4.323 -19.807 305 2HB ALA 40 2HB ALA 40 7.482 -4.061 -19.461 306 3HB ALA 40 3HB ALA 40 8.696 -3.708 -18.229 307 H SER 41 HN SER 41 6.211 -1.896 -20.781 308 HA SER 41 HA SER 41 5.526 0.041 -18.596 309 1HB SER 41 2HB SER 41 3.566 0.383 -20.356 310 2HB SER 41 1HB SER 41 5.138 1.125 -20.614 311 HG SER 41 HG SER 41 5.661 -0.489 -22.022 312 H VAL 42 HN VAL 42 4.401 -0.913 -16.985 313 HA VAL 42 HA VAL 42 2.622 -3.239 -17.580 314 HB VAL 42 HB VAL 42 4.188 -2.200 -15.266 315 1HG1 VAL 42 1HG1 VAL 42 1.406 -3.224 -14.999 316 2HG1 VAL 42 2HG1 VAL 42 2.286 -2.066 -14.002 317 3HG1 VAL 42 3HG1 VAL 42 2.613 -3.792 -13.844 318 1HG2 VAL 42 1HG2 VAL 42 3.382 -5.001 -15.358 319 2HG2 VAL 42 2HG2 VAL 42 5.003 -4.306 -15.297 320 3HG2 VAL 42 3HG2 VAL 42 4.168 -4.466 -16.844 321 H ALA 43 HN ALA 43 0.467 -2.818 -17.735 322 HA ALA 43 HA ALA 43 -0.596 -0.202 -16.836 323 1HB ALA 43 1HB ALA 43 -1.127 -1.440 -19.045 324 2HB ALA 43 2HB ALA 43 -2.496 -0.805 -18.131 325 3HB ALA 43 3HB ALA 43 -2.102 -2.522 -18.050 326 H HIS 44 HN HIS 44 -1.272 -0.076 -14.742 327 HA HIS 44 HA HIS 44 -1.925 -2.544 -13.238 328 1HB HIS 44 2HB HIS 44 -1.336 0.338 -12.668 329 2HB HIS 44 1HB HIS 44 -2.272 -0.563 -11.475 330 HD1 HIS 44 HD1 HIS 44 0.487 -2.153 -13.547 331 HD2 HIS 44 HD2 HIS 44 -0.180 -0.859 -9.628 332 HE1 HIS 44 HE1 HIS 44 2.438 -2.992 -12.161 333 HE2 HIS 44 HE2 HIS 44 2.041 -2.201 -9.791 334 H ASN 45 HN ASN 45 -3.938 -3.238 -13.764 335 HA ASN 45 HA ASN 45 -6.244 -3.269 -14.148 336 1HB ASN 45 2HB ASN 45 -5.866 -1.821 -11.905 337 2HB ASN 45 1HB ASN 45 -6.606 -0.587 -12.929 338 1HD2 ASN 45 1HD2 ASN 45 -7.229 -3.500 -11.122 339 2HD2 ASN 45 2HD2 ASN 45 -8.860 -3.662 -11.541 340 H GLY 46 HN GLY 46 -4.162 -1.323 -15.729 341 1HA GLY 46 2HA GLY 46 -4.989 -0.957 -18.078 342 2HA GLY 46 1HA GLY 46 -6.351 -0.108 -17.355 343 H CYS 47 HN CYS 47 -3.771 0.756 -15.452 344 HA CYS 47 HA CYS 47 -3.330 3.239 -17.062 345 1HB CYS 47 2HB CYS 47 -4.098 3.416 -14.700 346 2HB CYS 47 1HB CYS 47 -2.662 2.538 -14.176 347 HG CYS 47 HG CYS 47 -2.576 5.385 -15.467 348 H CYS 48 HN CYS 48 -1.645 2.808 -18.500 349 HA CYS 48 HA CYS 48 0.436 0.904 -17.962 350 1HB CYS 48 2HB CYS 48 1.377 1.847 -20.072 351 2HB CYS 48 1HB CYS 48 -0.349 1.505 -20.206 352 HG CYS 48 HG CYS 48 -0.714 4.140 -19.685 353 H LEU 49 HN LEU 49 2.303 1.166 -16.859 354 HA LEU 49 HA LEU 49 3.576 3.844 -16.762 355 1HB LEU 49 2HB LEU 49 4.011 3.335 -14.273 356 2HB LEU 49 1HB LEU 49 2.363 3.790 -14.705 357 HG LEU 49 HG LEU 49 2.858 0.911 -14.951 358 1HD1 LEU 49 1HD1 LEU 49 2.523 1.164 -12.190 359 2HD1 LEU 49 2HD1 LEU 49 3.782 2.339 -12.585 360 3HD1 LEU 49 3HD1 LEU 49 3.991 0.639 -13.017 361 1HD2 LEU 49 1HD2 LEU 49 0.855 1.904 -13.038 362 2HD2 LEU 49 2HD2 LEU 49 0.635 0.871 -14.450 363 3HD2 LEU 49 3HD2 LEU 49 0.701 2.623 -14.640 364 H THR 50 HN THR 50 5.931 3.623 -16.241 365 HA THR 50 HA THR 50 6.883 1.107 -17.469 366 HB THR 50 HB THR 50 8.359 3.690 -16.875 367 HG1 THR 50 HG1 THR 50 7.265 4.521 -18.440 368 1HG2 THR 50 1HG2 THR 50 8.868 1.740 -19.120 369 2HG2 THR 50 2HG2 THR 50 9.590 1.499 -17.530 370 3HG2 THR 50 3HG2 THR 50 9.957 2.955 -18.452 371 H VAL 51 HN VAL 51 8.585 -0.133 -16.636 372 HA VAL 51 HA VAL 51 8.723 -0.368 -13.746 373 HB VAL 51 HB VAL 51 10.361 -1.666 -15.951 374 1HG1 VAL 51 1HG1 VAL 51 9.895 -2.225 -13.050 375 2HG1 VAL 51 2HG1 VAL 51 11.391 -2.307 -13.979 376 3HG1 VAL 51 3HG1 VAL 51 10.173 -3.571 -14.155 377 1HG2 VAL 51 1HG2 VAL 51 7.549 -1.987 -15.079 378 2HG2 VAL 51 2HG2 VAL 51 8.461 -3.478 -15.325 379 3HG2 VAL 51 3HG2 VAL 51 8.297 -2.316 -16.642 380 H THR 52 HN THR 52 10.006 0.983 -12.551 381 HA THR 52 HA THR 52 12.322 2.403 -13.607 382 HB THR 52 HB THR 52 12.496 3.183 -11.327 383 HG1 THR 52 HG1 THR 52 10.738 1.050 -10.689 384 1HG2 THR 52 1HG2 THR 52 10.317 4.066 -10.979 385 2HG2 THR 52 2HG2 THR 52 9.549 2.672 -11.739 386 3HG2 THR 52 3HG2 THR 52 10.450 3.828 -12.721 387 H GLU 53 HN GLU 53 11.766 -0.497 -11.608 388 HA GLU 53 HA GLU 53 14.385 -1.588 -12.397 389 1HB GLU 53 2HB GLU 53 14.957 0.053 -10.647 390 2HB GLU 53 1HB GLU 53 13.811 -0.716 -9.547 391 1HG GLU 53 2HG GLU 53 15.096 -2.820 -9.674 392 2HG GLU 53 1HG GLU 53 16.244 -2.051 -10.770 393 H ILE 54 HN ILE 54 14.569 -3.824 -11.792 394 HA ILE 54 HA ILE 54 12.029 -5.069 -10.771 395 HB ILE 54 HB ILE 54 14.354 -6.043 -12.467 396 1HG1 ILE 54 2HG1 ILE 54 11.533 -6.295 -13.318 397 2HG1 ILE 54 1HG1 ILE 54 12.132 -4.642 -13.188 398 1HG2 ILE 54 1HG2 ILE 54 13.760 -7.912 -11.098 399 2HG2 ILE 54 2HG2 ILE 54 12.920 -8.155 -12.629 400 3HG2 ILE 54 3HG2 ILE 54 12.039 -7.547 -11.227 401 1HD1 ILE 54 1HD1 ILE 54 13.535 -4.880 -14.972 402 2HD1 ILE 54 2HD1 ILE 54 12.483 -6.233 -15.386 403 3HD1 ILE 54 3HD1 ILE 54 13.988 -6.522 -14.512 404 H ASN 55 HN ASN 55 12.087 -6.055 -8.851 405 HA ASN 55 HA ASN 55 14.720 -6.318 -7.460 406 1HB ASN 55 2HB ASN 55 11.853 -5.906 -6.646 407 2HB ASN 55 1HB ASN 55 13.004 -6.559 -5.479 408 1HD2 ASN 55 1HD2 ASN 55 12.186 -3.693 -7.398 409 2HD2 ASN 55 2HD2 ASN 55 13.252 -2.640 -6.603 410 H GLY 56 HN GLY 56 14.716 -8.313 -9.085 411 1HA GLY 56 2HA GLY 56 14.761 -10.685 -9.160 412 2HA GLY 56 1HA GLY 56 14.017 -10.720 -7.559 413 H ASN 57 HN ASN 57 11.944 -11.452 -7.553 414 HA ASN 57 HA ASN 57 10.415 -11.621 -10.041 415 1HB ASN 57 2HB ASN 57 9.284 -13.189 -8.847 416 2HB ASN 57 1HB ASN 57 10.524 -12.961 -7.635 417 1HD2 ASN 57 1HD2 ASN 57 7.485 -11.443 -8.668 418 2HD2 ASN 57 2HD2 ASN 57 6.926 -11.073 -7.110 419 H HIS 58 HN HIS 58 10.816 -9.360 -7.446 420 HA HIS 58 HA HIS 58 8.230 -8.052 -7.651 421 1HB HIS 58 2HB HIS 58 10.924 -7.499 -6.448 422 2HB HIS 58 1HB HIS 58 9.697 -6.235 -6.454 423 HD1 HIS 58 HD1 HIS 58 10.894 -8.557 -4.184 424 HD2 HIS 58 HD2 HIS 58 7.023 -7.756 -5.526 425 HE1 HIS 58 HE1 HIS 58 9.314 -9.457 -2.423 426 H VAL 59 HN VAL 59 7.939 -5.845 -8.480 427 HA VAL 59 HA VAL 59 10.072 -4.888 -10.306 428 HB VAL 59 HB VAL 59 7.193 -5.487 -11.007 429 1HG1 VAL 59 1HG1 VAL 59 7.780 -4.490 -13.231 430 2HG1 VAL 59 2HG1 VAL 59 9.278 -3.907 -12.513 431 3HG1 VAL 59 3HG1 VAL 59 7.733 -3.300 -11.927 432 1HG2 VAL 59 1HG2 VAL 59 9.838 -6.679 -11.469 433 2HG2 VAL 59 2HG2 VAL 59 8.912 -6.446 -12.958 434 3HG2 VAL 59 3HG2 VAL 59 8.235 -7.404 -11.639 435 H SER 60 HN SER 60 10.441 -2.797 -9.769 436 HA SER 60 HA SER 60 8.415 -1.207 -8.319 437 1HB SER 60 2HB SER 60 11.041 -1.462 -7.976 438 2HB SER 60 1HB SER 60 11.081 -0.196 -9.198 439 HG SER 60 HG SER 60 10.782 0.209 -6.709 440 H PHE 61 HN PHE 61 7.263 0.405 -9.342 441 HA PHE 61 HA PHE 61 8.172 1.251 -12.069 442 1HB PHE 61 2HB PHE 61 5.584 1.516 -12.414 443 2HB PHE 61 1HB PHE 61 6.300 -0.092 -12.514 444 HD1 PHE 61 HD1 PHE 61 3.972 2.044 -10.734 445 HD2 PHE 61 HD2 PHE 61 6.246 -1.594 -10.478 446 HE1 PHE 61 HE1 PHE 61 2.517 1.264 -8.880 447 HE2 PHE 61 HE2 PHE 61 4.794 -2.374 -8.626 448 HZ PHE 61 HZ PHE 61 2.927 -0.947 -7.827 449 H ASP 62 HN ASP 62 7.768 3.468 -12.582 450 HA ASP 62 HA ASP 62 7.922 5.158 -10.185 451 1HB ASP 62 2HB ASP 62 8.504 6.888 -11.864 452 2HB ASP 62 1HB ASP 62 9.421 5.408 -12.130 453 H LEU 63 HN LEU 63 6.653 7.015 -9.782 454 HA LEU 63 HA LEU 63 4.089 7.394 -11.186 455 1HB LEU 63 2HB LEU 63 4.508 5.570 -9.004 456 2HB LEU 63 1HB LEU 63 3.475 6.881 -8.453 457 HG LEU 63 HG LEU 63 2.661 6.076 -11.095 458 1HD1 LEU 63 1HD1 LEU 63 1.928 3.781 -9.554 459 2HD1 LEU 63 2HD1 LEU 63 3.686 3.942 -9.485 460 3HD1 LEU 63 3HD1 LEU 63 2.867 3.835 -11.047 461 1HD2 LEU 63 1HD2 LEU 63 0.533 6.117 -10.116 462 2HD2 LEU 63 2HD2 LEU 63 1.434 7.150 -9.006 463 3HD2 LEU 63 3HD2 LEU 63 1.121 5.467 -8.585 464 H MET 64 HN MET 64 4.544 9.656 -11.303 465 HA MET 64 HA MET 64 5.759 11.199 -9.234 466 1HB MET 64 2HB MET 64 5.390 11.797 -11.666 467 2HB MET 64 1HB MET 64 3.700 12.105 -11.272 468 1HG MET 64 2HG MET 64 4.352 13.821 -9.658 469 2HG MET 64 1HG MET 64 6.057 13.475 -9.945 470 1HE MET 64 1HE MET 64 2.899 15.304 -12.559 471 2HE MET 64 2HE MET 64 3.386 16.224 -11.138 472 3HE MET 64 3HE MET 64 2.827 14.564 -10.954 473 H LYS 65 HN LYS 65 4.873 12.230 -7.426 474 HA LYS 65 HA LYS 65 2.653 11.056 -6.176 475 1HB LYS 65 2HB LYS 65 4.483 12.279 -5.063 476 2HB LYS 65 1HB LYS 65 3.899 13.792 -5.755 477 1HG LYS 65 2HG LYS 65 3.095 13.556 -3.446 478 2HG LYS 65 1HG LYS 65 1.739 13.483 -4.572 479 1HD LYS 65 2HD LYS 65 1.649 11.076 -4.421 480 2HD LYS 65 1HD LYS 65 3.150 11.028 -3.496 481 1HE LYS 65 2HE LYS 65 1.268 10.781 -1.951 482 2HE LYS 65 1HE LYS 65 1.996 12.380 -1.696 483 1HZ LYS 65 1HZ LYS 65 -0.330 11.784 -3.450 484 2HZ LYS 65 2HZ LYS 65 0.394 13.310 -3.260 485 3HZ LYS 65 3HZ LYS 65 -0.399 12.574 -1.951 486 H GLU 66 HN GLU 66 2.789 14.271 -7.787 487 HA GLU 66 HA GLU 66 0.001 14.873 -7.421 488 1HB GLU 66 2HB GLU 66 1.752 16.519 -8.008 489 2HB GLU 66 1HB GLU 66 1.982 15.721 -9.564 490 1HG GLU 66 2HG GLU 66 -0.324 16.233 -10.205 491 2HG GLU 66 1HG GLU 66 -0.621 16.962 -8.627 492 H THR 67 HN THR 67 1.786 13.213 -10.007 493 HA THR 67 HA THR 67 -0.438 12.695 -11.761 494 HB THR 67 HB THR 67 2.099 11.165 -11.103 495 HG1 THR 67 HG1 THR 67 1.394 13.132 -13.000 496 1HG2 THR 67 1HG2 THR 67 1.508 10.503 -13.664 497 2HG2 THR 67 2HG2 THR 67 -0.118 10.645 -12.994 498 3HG2 THR 67 3HG2 THR 67 1.038 9.526 -12.274 499 H LEU 68 HN LEU 68 0.868 11.012 -8.922 500 HA LEU 68 HA LEU 68 -0.745 8.683 -9.007 501 1HB LEU 68 2HB LEU 68 1.300 9.069 -7.660 502 2HB LEU 68 1HB LEU 68 0.435 10.260 -6.695 503 HG LEU 68 HG LEU 68 -1.236 8.414 -6.148 504 1HD1 LEU 68 1HD1 LEU 68 1.033 6.658 -7.130 505 2HD1 LEU 68 2HD1 LEU 68 -0.444 6.943 -8.050 506 3HD1 LEU 68 3HD1 LEU 68 -0.520 6.123 -6.492 507 1HD2 LEU 68 1HD2 LEU 68 1.362 9.031 -5.116 508 2HD2 LEU 68 2HD2 LEU 68 1.088 7.299 -4.922 509 3HD2 LEU 68 3HD2 LEU 68 -0.052 8.454 -4.231 510 H ARG 69 HN ARG 69 -1.273 11.878 -7.499 511 HA ARG 69 HA ARG 69 -3.835 11.232 -6.310 512 1HB ARG 69 2HB ARG 69 -2.384 13.066 -5.570 513 2HB ARG 69 1HB ARG 69 -2.514 13.830 -7.154 514 1HG ARG 69 2HG ARG 69 -5.025 13.913 -6.788 515 2HG ARG 69 1HG ARG 69 -4.717 13.425 -5.120 516 1HD ARG 69 2HD ARG 69 -3.084 15.697 -6.131 517 2HD ARG 69 1HD ARG 69 -4.807 16.023 -5.859 518 HE ARG 69 HE ARG 69 -3.679 14.512 -3.667 519 1HH1 ARG 69 1HH1 ARG 69 -3.908 17.650 -5.101 520 2HH1 ARG 69 2HH1 ARG 69 -3.692 18.490 -3.603 521 1HH2 ARG 69 1HH2 ARG 69 -3.397 15.603 -1.710 522 2HH2 ARG 69 2HH2 ARG 69 -3.402 17.335 -1.688 523 H ILE 70 HN ILE 70 -2.830 12.716 -9.388 524 HA ILE 70 HA ILE 70 -5.409 13.511 -10.268 525 HB ILE 70 HB ILE 70 -2.785 13.743 -11.024 526 1HG1 ILE 70 2HG1 ILE 70 -5.107 14.363 -12.850 527 2HG1 ILE 70 1HG1 ILE 70 -4.772 15.274 -11.377 528 1HG2 ILE 70 1HG2 ILE 70 -2.806 13.015 -13.469 529 2HG2 ILE 70 2HG2 ILE 70 -4.165 11.975 -13.047 530 3HG2 ILE 70 3HG2 ILE 70 -2.595 11.733 -12.280 531 1HD1 ILE 70 1HD1 ILE 70 -2.915 14.936 -13.748 532 2HD1 ILE 70 2HD1 ILE 70 -2.470 15.733 -12.240 533 3HD1 ILE 70 3HD1 ILE 70 -3.735 16.419 -13.260 534 H THR 71 HN THR 71 -3.531 10.562 -10.874 535 HA THR 71 HA THR 71 -5.720 9.257 -12.326 536 HB THR 71 HB THR 71 -4.160 7.401 -12.410 537 HG1 THR 71 HG1 THR 71 -3.126 8.714 -10.182 538 1HG2 THR 71 1HG2 THR 71 -3.617 9.500 -13.736 539 2HG2 THR 71 2HG2 THR 71 -2.258 8.418 -13.424 540 3HG2 THR 71 3HG2 THR 71 -2.450 9.890 -12.472 541 H ASN 72 HN ASN 72 -6.011 6.833 -11.302 542 HA ASN 72 HA ASN 72 -6.768 7.187 -8.435 543 1HB ASN 72 2HB ASN 72 -8.634 6.447 -9.658 544 2HB ASN 72 1HB ASN 72 -7.653 5.468 -10.738 545 1HD2 ASN 72 1HD2 ASN 72 -8.742 3.464 -10.359 546 2HD2 ASN 72 2HD2 ASN 72 -8.717 2.679 -8.854 547 H LEU 73 HN LEU 73 -4.025 6.718 -9.768 548 HA LEU 73 HA LEU 73 -3.175 4.039 -9.028 549 1HB LEU 73 2HB LEU 73 -1.797 6.692 -9.541 550 2HB LEU 73 1HB LEU 73 -0.912 5.198 -9.233 551 HG LEU 73 HG LEU 73 -2.966 5.502 -11.454 552 1HD1 LEU 73 1HD1 LEU 73 -0.684 6.878 -11.484 553 2HD1 LEU 73 2HD1 LEU 73 -1.293 6.079 -12.934 554 3HD1 LEU 73 3HD1 LEU 73 -0.028 5.315 -11.972 555 1HD2 LEU 73 1HD2 LEU 73 -2.751 3.256 -11.525 556 2HD2 LEU 73 2HD2 LEU 73 -1.500 3.288 -10.283 557 3HD2 LEU 73 3HD2 LEU 73 -1.064 3.489 -11.980 558 H GLY 74 HN GLY 74 -3.169 7.224 -7.422 559 1HA GLY 74 2HA GLY 74 -1.653 6.746 -5.169 560 2HA GLY 74 1HA GLY 74 -3.094 7.751 -5.141 561 H ASP 75 HN ASP 75 -4.697 5.266 -5.959 562 HA ASP 75 HA ASP 75 -5.589 4.643 -3.313 563 1HB ASP 75 2HB ASP 75 -7.133 3.200 -4.491 564 2HB ASP 75 1HB ASP 75 -6.860 4.622 -5.499 565 H LEU 76 HN LEU 76 -3.071 3.284 -5.243 566 HA LEU 76 HA LEU 76 -3.081 0.571 -4.434 567 1HB LEU 76 2HB LEU 76 -0.801 2.455 -5.055 568 2HB LEU 76 1HB LEU 76 -0.667 0.700 -5.032 569 HG LEU 76 HG LEU 76 -2.568 2.264 -6.801 570 1HD1 LEU 76 1HD1 LEU 76 0.034 0.835 -7.430 571 2HD1 LEU 76 2HD1 LEU 76 -0.237 2.576 -7.497 572 3HD1 LEU 76 3HD1 LEU 76 -1.065 1.511 -8.632 573 1HD2 LEU 76 1HD2 LEU 76 -2.454 -0.480 -5.953 574 2HD2 LEU 76 2HD2 LEU 76 -2.087 -0.400 -7.679 575 3HD2 LEU 76 3HD2 LEU 76 -3.596 0.278 -7.065 576 H LYS 77 HN LYS 77 -2.299 -0.493 -2.687 577 HA LYS 77 HA LYS 77 -0.706 0.961 -0.640 578 1HB LYS 77 2HB LYS 77 -3.337 -0.485 -0.199 579 2HB LYS 77 1HB LYS 77 -2.238 -0.069 1.117 580 1HG LYS 77 2HG LYS 77 -2.379 2.313 0.487 581 2HG LYS 77 1HG LYS 77 -3.481 1.900 -0.827 582 1HD LYS 77 2HD LYS 77 -5.089 0.982 0.805 583 2HD LYS 77 1HD LYS 77 -3.991 1.398 2.120 584 1HE LYS 77 2HE LYS 77 -4.485 3.684 0.364 585 2HE LYS 77 1HE LYS 77 -5.977 3.063 1.100 586 1HZ LYS 77 1HZ LYS 77 -3.496 3.952 2.440 587 2HZ LYS 77 2HZ LYS 77 -4.581 2.901 3.215 588 3HZ LYS 77 3HZ LYS 77 -5.091 4.448 2.733 589 H VAL 78 HN VAL 78 0.789 -0.434 0.372 590 HA VAL 78 HA VAL 78 1.479 -2.844 -0.976 591 HB VAL 78 HB VAL 78 2.168 -1.968 1.847 592 1HG1 VAL 78 1HG1 VAL 78 3.605 -3.704 1.852 593 2HG1 VAL 78 2HG1 VAL 78 4.284 -3.195 0.303 594 3HG1 VAL 78 3HG1 VAL 78 2.870 -4.259 0.346 595 1HG2 VAL 78 1HG2 VAL 78 3.149 -1.117 -0.868 596 2HG2 VAL 78 2HG2 VAL 78 4.209 -1.050 0.539 597 3HG2 VAL 78 3HG2 VAL 78 2.717 -0.110 0.516 598 H GLY 79 HN GLY 79 1.242 -5.033 -0.328 599 1HA GLY 79 2HA GLY 79 0.322 -6.834 0.955 600 2HA GLY 79 1HA GLY 79 -0.579 -5.655 1.915 601 H ASP 80 HN ASP 80 -1.170 -4.370 -0.887 602 HA ASP 80 HA ASP 80 -3.631 -5.968 -1.400 603 1HB ASP 80 2HB ASP 80 -3.506 -3.421 -1.065 604 2HB ASP 80 1HB ASP 80 -2.726 -3.359 -2.643 605 H TRP 81 HN TRP 81 -4.148 -6.283 -3.799 606 HA TRP 81 HA TRP 81 -1.634 -6.768 -5.372 607 1HB TRP 81 2HB TRP 81 -4.261 -8.256 -5.184 608 2HB TRP 81 1HB TRP 81 -3.150 -8.505 -6.527 609 HD1 TRP 81 HD1 TRP 81 -2.581 -8.185 -2.702 610 HE1 TRP 81 HE1 TRP 81 -1.079 -10.135 -1.958 611 HE3 TRP 81 HE3 TRP 81 -2.008 -10.607 -7.164 612 HZ2 TRP 81 HZ2 TRP 81 0.197 -12.426 -3.097 613 HZ3 TRP 81 HZ3 TRP 81 -0.640 -12.672 -7.306 614 HH2 TRP 81 HH2 TRP 81 0.463 -13.580 -5.275 615 H VAL 82 HN VAL 82 -1.887 -6.394 -7.705 616 HA VAL 82 HA VAL 82 -4.067 -4.468 -8.391 617 HB VAL 82 HB VAL 82 -2.062 -3.214 -8.312 618 1HG1 VAL 82 1HG1 VAL 82 -0.843 -5.794 -9.142 619 2HG1 VAL 82 2HG1 VAL 82 -0.283 -4.617 -7.952 620 3HG1 VAL 82 3HG1 VAL 82 -0.030 -4.322 -9.674 621 1HG2 VAL 82 1HG2 VAL 82 -1.856 -2.457 -10.472 622 2HG2 VAL 82 2HG2 VAL 82 -3.260 -3.500 -10.712 623 3HG2 VAL 82 3HG2 VAL 82 -1.645 -4.084 -11.124 624 H ASN 83 HN ASN 83 -4.793 -4.573 -10.593 625 HA ASN 83 HA ASN 83 -4.515 -7.169 -11.972 626 1HB ASN 83 2HB ASN 83 -6.200 -4.771 -12.002 627 2HB ASN 83 1HB ASN 83 -5.782 -5.302 -13.623 628 1HD2 ASN 83 1HD2 ASN 83 -5.641 -8.141 -13.104 629 2HD2 ASN 83 2HD2 ASN 83 -7.209 -8.681 -12.743 630 H VAL 84 HN VAL 84 -2.433 -7.362 -12.846 631 HA VAL 84 HA VAL 84 -1.294 -4.944 -14.172 632 HB VAL 84 HB VAL 84 0.798 -6.609 -14.089 633 1HG1 VAL 84 1HG1 VAL 84 1.460 -5.461 -12.086 634 2HG1 VAL 84 2HG1 VAL 84 -0.220 -5.199 -11.609 635 3HG1 VAL 84 3HG1 VAL 84 0.444 -4.357 -13.014 636 1HG2 VAL 84 1HG2 VAL 84 -0.692 -8.436 -13.106 637 2HG2 VAL 84 2HG2 VAL 84 -0.780 -7.452 -11.647 638 3HG2 VAL 84 3HG2 VAL 84 0.776 -8.074 -12.198 639 H GLU 85 HN GLU 85 -0.810 -4.915 -16.284 640 HA GLU 85 HA GLU 85 -1.144 -7.440 -17.879 641 1HB GLU 85 2HB GLU 85 -3.260 -6.167 -17.802 642 2HB GLU 85 1HB GLU 85 -2.416 -4.727 -18.374 643 1HG GLU 85 2HG GLU 85 -1.812 -5.902 -20.457 644 2HG GLU 85 1HG GLU 85 -2.658 -7.342 -19.890 645 H ARG 86 HN ARG 86 0.288 -7.564 -19.629 646 HA ARG 86 HA ARG 86 2.603 -5.916 -19.689 647 1HB ARG 86 2HB ARG 86 2.449 -8.200 -20.591 648 2HB ARG 86 1HB ARG 86 1.326 -7.644 -21.834 649 1HG ARG 86 2HG ARG 86 3.060 -6.136 -22.731 650 2HG ARG 86 1HG ARG 86 4.184 -6.690 -21.491 651 1HD ARG 86 2HD ARG 86 4.045 -8.995 -22.381 652 2HD ARG 86 1HD ARG 86 2.920 -8.436 -23.636 653 HE ARG 86 HE ARG 86 4.760 -7.477 -24.762 654 1HH1 ARG 86 1HH1 ARG 86 5.468 -8.051 -21.427 655 2HH1 ARG 86 2HH1 ARG 86 7.121 -7.554 -21.563 656 1HH2 ARG 86 1HH2 ARG 86 6.913 -6.828 -24.945 657 2HH2 ARG 86 2HH2 ARG 86 7.938 -6.864 -23.549 658 H ALA 87 HN ALA 87 2.882 -3.896 -20.500 659 HA ALA 87 HA ALA 87 0.984 -2.912 -22.600 660 1HB ALA 87 1HB ALA 87 0.769 -0.944 -21.426 661 2HB ALA 87 2HB ALA 87 2.421 -1.012 -20.815 662 3HB ALA 87 3HB ALA 87 1.161 -1.991 -20.061 663 H ALA 88 HN ALA 88 1.965 -1.711 -24.294 664 HA ALA 88 HA ALA 88 4.966 -1.822 -24.359 665 1HB ALA 88 1HB ALA 88 4.667 -2.609 -26.703 666 2HB ALA 88 2HB ALA 88 2.920 -2.584 -26.464 667 3HB ALA 88 3HB ALA 88 3.921 -3.701 -25.536 668 H LYS 89 HN LYS 89 5.993 -0.196 -25.525 669 HA LYS 89 HA LYS 89 4.581 2.303 -26.082 670 1HB LYS 89 2HB LYS 89 6.831 2.987 -26.808 671 2HB LYS 89 1HB LYS 89 6.938 2.100 -25.287 672 1HG LYS 89 2HG LYS 89 7.132 0.040 -27.023 673 2HG LYS 89 1HG LYS 89 7.855 1.317 -28.001 674 1HD LYS 89 2HD LYS 89 9.169 1.852 -25.774 675 2HD LYS 89 1HD LYS 89 8.782 0.174 -25.390 676 1HE LYS 89 2HE LYS 89 9.803 -0.546 -27.539 677 2HE LYS 89 1HE LYS 89 10.237 1.141 -27.879 678 1HZ LYS 89 1HZ LYS 89 12.085 0.112 -26.793 679 2HZ LYS 89 2HZ LYS 89 11.096 -0.491 -25.550 680 3HZ LYS 89 3HZ LYS 89 11.368 1.180 -25.688 681 H PHE 90 HN PHE 90 5.210 -0.639 -27.768 682 HA PHE 90 HA PHE 90 4.380 0.650 -30.348 683 1HB PHE 90 2HB PHE 90 5.804 -0.965 -31.461 684 2HB PHE 90 1HB PHE 90 6.752 -0.208 -30.183 685 HD1 PHE 90 HD1 PHE 90 7.347 -1.433 -28.148 686 HD2 PHE 90 HD2 PHE 90 5.035 -3.280 -31.263 687 HE1 PHE 90 HE1 PHE 90 7.754 -3.658 -27.129 688 HE2 PHE 90 HE2 PHE 90 5.442 -5.507 -30.246 689 HZ PHE 90 HZ PHE 90 6.802 -5.696 -28.177 690 H SER 91 HN SER 91 3.104 -0.813 -31.754 691 HA SER 91 HA SER 91 0.880 -1.932 -30.417 692 1HB SER 91 2HB SER 91 2.036 -2.284 -33.189 693 2HB SER 91 1HB SER 91 0.456 -2.911 -32.734 694 HG SER 91 HG SER 91 0.693 -0.663 -33.682 695 H ASP 92 HN ASP 92 0.557 -3.908 -29.479 696 HA ASP 92 HA ASP 92 2.669 -5.872 -29.265 697 1HB ASP 92 2HB ASP 92 -0.289 -5.813 -28.605 698 2HB ASP 92 1HB ASP 92 0.762 -7.164 -28.176 699 H GLU 93 HN GLU 93 -0.242 -5.579 -31.277 700 HA GLU 93 HA GLU 93 0.174 -8.248 -32.458 701 1HB GLU 93 2HB GLU 93 -1.801 -5.992 -32.917 702 2HB GLU 93 1HB GLU 93 -1.886 -7.549 -33.741 703 1HG GLU 93 2HG GLU 93 -1.918 -7.198 -30.730 704 2HG GLU 93 1HG GLU 93 -3.354 -7.448 -31.722 705 H ILE 94 HN ILE 94 2.364 -6.597 -32.871 706 HA ILE 94 HA ILE 94 2.240 -6.258 -35.846 707 HB ILE 94 HB ILE 94 3.481 -4.474 -33.736 708 1HG1 ILE 94 2HG1 ILE 94 1.147 -3.996 -34.232 709 2HG1 ILE 94 1HG1 ILE 94 2.144 -2.750 -34.983 710 1HG2 ILE 94 1HG2 ILE 94 4.034 -4.698 -36.692 711 2HG2 ILE 94 2HG2 ILE 94 5.185 -4.562 -35.363 712 3HG2 ILE 94 3HG2 ILE 94 4.230 -3.161 -35.848 713 1HD1 ILE 94 1HD1 ILE 94 0.615 -3.369 -36.680 714 2HD1 ILE 94 2HD1 ILE 94 0.766 -5.086 -36.305 715 3HD1 ILE 94 3HD1 ILE 94 2.096 -4.234 -37.090 716 H GLY 95 HN GLY 95 3.481 -8.038 -33.390 717 1HA GLY 95 2HA GLY 95 6.282 -8.097 -33.802 718 2HA GLY 95 1HA GLY 95 5.337 -9.463 -33.208 719 H GLY 96 HN GLY 96 6.464 -7.853 -36.157 720 1HA GLY 96 2HA GLY 96 7.050 -10.292 -37.496 721 2HA GLY 96 1HA GLY 96 5.465 -9.741 -38.041 722 H HIS 97 HN HIS 97 7.253 -9.797 -40.005 723 HA HIS 97 HA HIS 97 7.673 -6.944 -40.626 724 1HB HIS 97 2HB HIS 97 10.133 -7.495 -41.145 725 2HB HIS 97 1HB HIS 97 9.700 -7.381 -39.439 726 HD1 HIS 97 HD1 HIS 97 11.589 -9.046 -38.753 727 HD2 HIS 97 HD2 HIS 97 8.775 -10.666 -41.367 728 HE1 HIS 97 HE1 HIS 97 11.964 -11.552 -38.747 729 1H MET 1 1HT MET 1 2.164 2.813 -29.688 730 2H MET 1 2HT MET 1 1.534 3.493 -31.112 731 3H MET 1 3HT MET 1 0.753 2.174 -30.380 732 HA MET 1 HA MET 1 1.094 4.727 -28.922 733 1HB MET 1 2HB MET 1 -1.243 5.196 -29.860 734 2HB MET 1 1HB MET 1 0.087 5.344 -31.010 735 1HG MET 1 2HG MET 1 -0.388 3.216 -31.982 736 2HG MET 1 1HG MET 1 -1.477 2.778 -30.666 737 1HE MET 1 1HE MET 1 -4.277 2.741 -32.539 738 2HE MET 1 2HE MET 1 -2.729 1.934 -32.306 739 3HE MET 1 3HE MET 1 -3.092 2.695 -33.852 740 H PHE 2 HN PHE 2 0.328 4.385 -26.876 741 HA PHE 2 HA PHE 2 -2.086 2.896 -26.361 742 1HB PHE 2 2HB PHE 2 -1.193 0.953 -25.377 743 2HB PHE 2 1HB PHE 2 -0.154 1.180 -26.782 744 HD1 PHE 2 HD1 PHE 2 -0.070 0.342 -23.443 745 HD2 PHE 2 HD2 PHE 2 1.828 3.044 -26.195 746 HE1 PHE 2 HE1 PHE 2 1.884 0.522 -21.921 747 HE2 PHE 2 HE2 PHE 2 3.782 3.221 -24.673 748 HZ PHE 2 HZ PHE 2 3.809 1.958 -22.536 749 H THR 3 HN THR 3 -2.934 3.802 -24.502 750 HA THR 3 HA THR 3 -1.009 5.147 -22.636 751 HB THR 3 HB THR 3 -2.584 7.001 -22.564 752 HG1 THR 3 HG1 THR 3 -4.403 6.675 -24.200 753 1HG2 THR 3 1HG2 THR 3 -1.674 7.779 -24.461 754 2HG2 THR 3 2HG2 THR 3 -2.815 6.828 -25.410 755 3HG2 THR 3 3HG2 THR 3 -1.266 6.129 -24.936 756 H GLY 4 HN GLY 4 -4.060 3.433 -23.064 757 1HA GLY 4 2HA GLY 4 -5.600 2.611 -21.489 758 2HA GLY 4 1HA GLY 4 -4.165 2.169 -20.561 759 H ILE 5 HN ILE 5 -4.710 5.537 -21.350 760 HA ILE 5 HA ILE 5 -4.805 6.164 -18.475 761 HB ILE 5 HB ILE 5 -4.872 7.895 -20.970 762 1HG1 ILE 5 2HG1 ILE 5 -2.603 7.082 -19.123 763 2HG1 ILE 5 1HG1 ILE 5 -2.822 6.559 -20.790 764 1HG2 ILE 5 1HG2 ILE 5 -4.882 9.725 -19.631 765 2HG2 ILE 5 2HG2 ILE 5 -3.792 8.980 -18.458 766 3HG2 ILE 5 3HG2 ILE 5 -5.525 8.638 -18.399 767 1HD1 ILE 5 1HD1 ILE 5 -2.870 9.484 -20.398 768 2HD1 ILE 5 2HD1 ILE 5 -2.070 8.533 -21.647 769 3HD1 ILE 5 3HD1 ILE 5 -1.319 8.717 -20.064 770 H VAL 6 HN VAL 6 -6.555 7.084 -17.385 771 HA VAL 6 HA VAL 6 -9.199 6.555 -18.561 772 HB VAL 6 HB VAL 6 -7.973 7.054 -15.885 773 1HG1 VAL 6 1HG1 VAL 6 -10.937 7.374 -16.447 774 2HG1 VAL 6 2HG1 VAL 6 -9.853 8.661 -15.920 775 3HG1 VAL 6 3HG1 VAL 6 -10.200 7.306 -14.848 776 1HG2 VAL 6 1HG2 VAL 6 -9.169 4.926 -17.375 777 2HG2 VAL 6 2HG2 VAL 6 -10.134 5.201 -15.925 778 3HG2 VAL 6 3HG2 VAL 6 -8.409 4.851 -15.785 779 H GLN 7 HN GLN 7 -10.780 8.075 -18.950 780 HA GLN 7 HA GLN 7 -9.989 10.765 -19.626 781 1HB GLN 7 2HB GLN 7 -12.645 9.333 -19.333 782 2HB GLN 7 1HB GLN 7 -12.482 10.955 -20.008 783 1HG GLN 7 2HG GLN 7 -10.965 10.084 -21.748 784 2HG GLN 7 1HG GLN 7 -11.130 8.461 -21.078 785 1HE2 GLN 7 1HE2 GLN 7 -11.978 9.395 -23.788 786 2HE2 GLN 7 2HE2 GLN 7 -13.647 9.099 -23.877 787 H GLY 8 HN GLY 8 -11.565 9.311 -16.779 788 1HA GLY 8 2HA GLY 8 -11.394 11.936 -15.384 789 2HA GLY 8 1HA GLY 8 -13.011 11.306 -15.689 790 H THR 9 HN THR 9 -12.714 11.587 -13.132 791 HA THR 9 HA THR 9 -11.875 8.900 -12.095 792 HB THR 9 HB THR 9 -11.287 10.325 -10.002 793 HG1 THR 9 HG1 THR 9 -10.947 12.460 -10.402 794 1HG2 THR 9 1HG2 THR 9 -9.271 11.213 -11.789 795 2HG2 THR 9 2HG2 THR 9 -9.857 9.669 -12.404 796 3HG2 THR 9 3HG2 THR 9 -9.242 9.785 -10.755 797 H ALA 10 HN ALA 10 -12.909 8.405 -9.961 798 HA ALA 10 HA ALA 10 -15.673 9.551 -9.669 799 1HB ALA 10 1HB ALA 10 -15.789 6.762 -9.292 800 2HB ALA 10 2HB ALA 10 -14.775 6.985 -10.720 801 3HB ALA 10 3HB ALA 10 -16.408 7.658 -10.679 802 H LYS 11 HN LYS 11 -16.495 9.331 -7.529 803 HA LYS 11 HA LYS 11 -14.399 8.630 -5.507 804 1HB LYS 11 2HB LYS 11 -15.219 10.947 -5.554 805 2HB LYS 11 1HB LYS 11 -16.871 10.368 -5.388 806 1HG LYS 11 2HG LYS 11 -16.373 9.402 -3.210 807 2HG LYS 11 1HG LYS 11 -14.676 9.854 -3.371 808 1HD LYS 11 2HD LYS 11 -15.070 12.030 -2.847 809 2HD LYS 11 1HD LYS 11 -16.595 12.071 -3.735 810 1HE LYS 11 2HE LYS 11 -17.668 10.753 -1.896 811 2HE LYS 11 1HE LYS 11 -16.146 10.852 -0.985 812 1HZ LYS 11 1HZ LYS 11 -17.022 12.783 -0.254 813 2HZ LYS 11 2HZ LYS 11 -18.087 12.935 -1.570 814 3HZ LYS 11 3HZ LYS 11 -16.459 13.392 -1.734 815 H LEU 12 HN LEU 12 -14.750 6.628 -4.630 816 HA LEU 12 HA LEU 12 -17.264 5.213 -4.584 817 1HB LEU 12 2HB LEU 12 -14.745 4.511 -4.154 818 2HB LEU 12 1HB LEU 12 -15.107 4.959 -2.502 819 HG LEU 12 HG LEU 12 -16.900 3.345 -2.381 820 1HD1 LEU 12 1HD1 LEU 12 -16.996 1.822 -4.597 821 2HD1 LEU 12 2HD1 LEU 12 -16.538 3.353 -5.341 822 3HD1 LEU 12 3HD1 LEU 12 -18.020 3.244 -4.392 823 1HD2 LEU 12 1HD2 LEU 12 -14.179 2.645 -2.985 824 2HD2 LEU 12 2HD2 LEU 12 -15.240 1.419 -3.679 825 3HD2 LEU 12 3HD2 LEU 12 -15.327 1.785 -1.957 826 H VAL 13 HN VAL 13 -18.989 5.632 -3.315 827 HA VAL 13 HA VAL 13 -18.558 7.286 -0.853 828 HB VAL 13 HB VAL 13 -19.543 8.691 -2.468 829 1HG1 VAL 13 1HG1 VAL 13 -21.861 7.533 -3.427 830 2HG1 VAL 13 2HG1 VAL 13 -20.706 6.203 -3.447 831 3HG1 VAL 13 3HG1 VAL 13 -20.346 7.698 -4.317 832 1HG2 VAL 13 1HG2 VAL 13 -20.756 8.831 -0.375 833 2HG2 VAL 13 2HG2 VAL 13 -21.742 7.436 -0.812 834 3HG2 VAL 13 3HG2 VAL 13 -21.920 8.952 -1.694 835 H SER 14 HN SER 14 -20.293 4.676 -2.423 836 HA SER 14 HA SER 14 -21.020 3.629 0.262 837 1HB SER 14 2HB SER 14 -22.778 5.065 -1.486 838 2HB SER 14 1HB SER 14 -23.334 3.399 -1.373 839 HG SER 14 HG SER 14 -23.959 3.814 0.583 840 H ILE 15 HN ILE 15 -21.205 1.379 0.283 841 HA ILE 15 HA ILE 15 -20.793 -0.027 -2.336 842 HB ILE 15 HB ILE 15 -20.386 -1.138 0.447 843 1HG1 ILE 15 2HG1 ILE 15 -18.454 0.394 -1.312 844 2HG1 ILE 15 1HG1 ILE 15 -19.016 0.845 0.295 845 1HG2 ILE 15 1HG2 ILE 15 -19.787 -1.946 -2.362 846 2HG2 ILE 15 2HG2 ILE 15 -20.270 -2.937 -0.988 847 3HG2 ILE 15 3HG2 ILE 15 -18.600 -2.380 -1.131 848 1HD1 ILE 15 1HD1 ILE 15 -16.806 -0.862 -0.416 849 2HD1 ILE 15 2HD1 ILE 15 -17.982 -1.781 0.525 850 3HD1 ILE 15 3HD1 ILE 15 -17.294 -0.297 1.183 851 H ASP 16 HN ASP 16 -22.275 -1.575 -2.938 852 HA ASP 16 HA ASP 16 -24.559 -2.084 -1.072 853 1HB ASP 16 2HB ASP 16 -24.272 -1.948 -4.065 854 2HB ASP 16 1HB ASP 16 -25.625 -2.812 -3.335 855 H GLU 17 HN GLU 17 -24.220 -4.037 -0.075 856 HA GLU 17 HA GLU 17 -22.701 -6.145 -1.535 857 1HB GLU 17 2HB GLU 17 -23.498 -5.673 1.350 858 2HB GLU 17 1HB GLU 17 -22.668 -7.134 0.811 859 1HG GLU 17 2HG GLU 17 -20.804 -5.785 -0.043 860 2HG GLU 17 1HG GLU 17 -21.637 -4.306 0.436 861 H LYS 18 HN LYS 18 -24.011 -7.522 -2.681 862 HA LYS 18 HA LYS 18 -26.615 -8.353 -1.448 863 1HB LYS 18 2HB LYS 18 -25.771 -8.792 -4.312 864 2HB LYS 18 1HB LYS 18 -27.400 -8.688 -3.655 865 1HG LYS 18 2HG LYS 18 -26.274 -6.238 -2.980 866 2HG LYS 18 1HG LYS 18 -25.645 -6.553 -4.598 867 1HD LYS 18 2HD LYS 18 -27.735 -5.434 -4.915 868 2HD LYS 18 1HD LYS 18 -28.034 -7.136 -5.269 869 1HE LYS 18 2HE LYS 18 -29.549 -7.276 -3.594 870 2HE LYS 18 1HE LYS 18 -28.396 -6.588 -2.434 871 1HZ LYS 18 1HZ LYS 18 -28.849 -4.390 -3.355 872 2HZ LYS 18 2HZ LYS 18 -30.270 -5.095 -2.747 873 3HZ LYS 18 3HZ LYS 18 -29.988 -5.054 -4.422 874 HA PRO 19 HA PRO 19 -24.687 -12.213 -0.529 875 1HB PRO 19 2HB PRO 19 -27.063 -13.714 -0.753 876 2HB PRO 19 1HB PRO 19 -26.442 -12.954 0.722 877 1HG PRO 19 2HG PRO 19 -28.554 -12.033 -1.131 878 2HG PRO 19 1HG PRO 19 -28.379 -11.768 0.609 879 1HD PRO 19 2HD PRO 19 -27.897 -9.832 -1.216 880 2HD PRO 19 1HD PRO 19 -27.021 -9.934 0.329 881 H ASN 20 HN ASN 20 -26.439 -11.486 -3.423 882 HA ASN 20 HA ASN 20 -25.566 -14.024 -4.732 883 1HB ASN 20 2HB ASN 20 -27.224 -11.767 -5.882 884 2HB ASN 20 1HB ASN 20 -27.200 -13.459 -6.381 885 1HD2 ASN 20 1HD2 ASN 20 -28.341 -11.240 -3.854 886 2HD2 ASN 20 2HD2 ASN 20 -29.441 -12.323 -3.156 887 H PHE 21 HN PHE 21 -24.982 -10.568 -4.658 888 HA PHE 21 HA PHE 21 -22.552 -10.906 -6.306 889 1HB PHE 21 2HB PHE 21 -24.886 -9.143 -7.127 890 2HB PHE 21 1HB PHE 21 -23.331 -9.226 -7.955 891 HD1 PHE 21 HD1 PHE 21 -26.580 -10.766 -7.516 892 HD2 PHE 21 HD2 PHE 21 -22.593 -11.421 -8.985 893 HE1 PHE 21 HE1 PHE 21 -27.383 -12.714 -8.829 894 HE2 PHE 21 HE2 PHE 21 -23.396 -13.369 -10.298 895 HZ PHE 21 HZ PHE 21 -25.792 -14.015 -10.220 896 H ARG 22 HN ARG 22 -21.091 -9.103 -5.993 897 HA ARG 22 HA ARG 22 -21.873 -7.273 -3.782 898 1HB ARG 22 2HB ARG 22 -19.726 -8.492 -3.657 899 2HB ARG 22 1HB ARG 22 -19.219 -7.732 -5.162 900 1HG ARG 22 2HG ARG 22 -19.397 -5.513 -4.133 901 2HG ARG 22 1HG ARG 22 -19.946 -6.247 -2.627 902 1HD ARG 22 2HD ARG 22 -17.802 -7.436 -2.398 903 2HD ARG 22 1HD ARG 22 -17.239 -6.731 -3.927 904 HE ARG 22 HE ARG 22 -17.993 -4.499 -2.571 905 1HH1 ARG 22 1HH1 ARG 22 -16.114 -7.260 -1.660 906 2HH1 ARG 22 2HH1 ARG 22 -15.179 -6.391 -0.493 907 1HH2 ARG 22 1HH2 ARG 22 -16.772 -3.368 -1.055 908 2HH2 ARG 22 2HH2 ARG 22 -15.547 -4.195 -0.152 909 H THR 23 HN THR 23 -22.065 -5.105 -4.086 910 HA THR 23 HA THR 23 -21.879 -4.084 -6.902 911 HB THR 23 HB THR 23 -23.976 -3.635 -4.750 912 HG1 THR 23 HG1 THR 23 -24.302 -4.911 -7.244 913 1HG2 THR 23 1HG2 THR 23 -23.647 -1.683 -6.242 914 2HG2 THR 23 2HG2 THR 23 -25.215 -2.446 -6.504 915 3HG2 THR 23 3HG2 THR 23 -23.898 -2.726 -7.643 916 H HIS 24 HN HIS 24 -21.035 -1.979 -7.095 917 HA HIS 24 HA HIS 24 -20.416 -0.563 -4.525 918 1HB HIS 24 2HB HIS 24 -18.727 -1.657 -6.622 919 2HB HIS 24 1HB HIS 24 -18.419 0.059 -6.354 920 HD1 HIS 24 HD1 HIS 24 -17.002 -2.881 -5.249 921 HD2 HIS 24 HD2 HIS 24 -18.719 0.284 -3.152 922 HE1 HIS 24 HE1 HIS 24 -16.124 -3.030 -2.876 923 H VAL 25 HN VAL 25 -20.635 1.688 -4.565 924 HA VAL 25 HA VAL 25 -21.600 2.868 -7.149 925 HB VAL 25 HB VAL 25 -22.389 3.691 -4.361 926 1HG1 VAL 25 1HG1 VAL 25 -23.312 5.366 -5.561 927 2HG1 VAL 25 2HG1 VAL 25 -24.474 4.166 -6.122 928 3HG1 VAL 25 3HG1 VAL 25 -23.041 4.522 -7.085 929 1HG2 VAL 25 1HG2 VAL 25 -24.471 2.251 -5.719 930 2HG2 VAL 25 2HG2 VAL 25 -23.716 1.879 -4.169 931 3HG2 VAL 25 3HG2 VAL 25 -23.025 1.242 -5.660 932 H VAL 26 HN VAL 26 -20.536 4.653 -7.808 933 HA VAL 26 HA VAL 26 -18.638 5.963 -5.894 934 HB VAL 26 HB VAL 26 -17.345 6.469 -7.941 935 1HG1 VAL 26 1HG1 VAL 26 -17.942 3.823 -6.938 936 2HG1 VAL 26 2HG1 VAL 26 -16.405 4.464 -7.520 937 3HG1 VAL 26 3HG1 VAL 26 -17.549 3.748 -8.655 938 1HG2 VAL 26 1HG2 VAL 26 -19.502 6.550 -9.355 939 2HG2 VAL 26 2HG2 VAL 26 -19.345 4.797 -9.466 940 3HG2 VAL 26 3HG2 VAL 26 -18.075 5.839 -10.108 941 H GLU 27 HN GLU 27 -18.199 8.334 -6.682 942 HA GLU 27 HA GLU 27 -20.830 9.665 -7.148 943 1HB GLU 27 2HB GLU 27 -19.020 9.920 -5.167 944 2HB GLU 27 1HB GLU 27 -18.331 11.050 -6.328 945 1HG GLU 27 2HG GLU 27 -20.260 12.415 -6.325 946 2HG GLU 27 1HG GLU 27 -21.246 11.163 -5.572 947 H LEU 28 HN LEU 28 -21.106 10.316 -9.216 948 HA LEU 28 HA LEU 28 -18.891 10.377 -11.093 949 1HB LEU 28 2HB LEU 28 -21.471 9.735 -11.228 950 2HB LEU 28 1HB LEU 28 -21.637 11.434 -11.657 951 HG LEU 28 HG LEU 28 -20.155 11.170 -13.550 952 1HD1 LEU 28 1HD1 LEU 28 -18.449 9.705 -13.204 953 2HD1 LEU 28 2HD1 LEU 28 -19.572 8.494 -13.819 954 3HD1 LEU 28 3HD1 LEU 28 -19.396 8.730 -12.081 955 1HD2 LEU 28 1HD2 LEU 28 -21.428 9.584 -14.890 956 2HD2 LEU 28 2HD2 LEU 28 -22.536 10.398 -13.789 957 3HD2 LEU 28 3HD2 LEU 28 -21.993 8.759 -13.440 958 HA PRO 29 HA PRO 29 -17.930 14.644 -10.209 959 1HB PRO 29 2HB PRO 29 -16.212 14.946 -12.346 960 2HB PRO 29 1HB PRO 29 -15.748 14.281 -10.773 961 1HG PRO 29 2HG PRO 29 -16.376 12.874 -13.308 962 2HG PRO 29 1HG PRO 29 -15.199 12.468 -12.050 963 1HD PRO 29 2HD PRO 29 -17.564 11.179 -12.325 964 2HD PRO 29 1HD PRO 29 -16.754 11.387 -10.759 965 H ASP 30 HN ASP 30 -17.882 16.701 -11.638 966 HA ASP 30 HA ASP 30 -20.408 17.034 -12.858 967 1HB ASP 30 2HB ASP 30 -18.964 18.796 -11.875 968 2HB ASP 30 1HB ASP 30 -17.846 18.616 -13.227 969 H HIS 31 HN HIS 31 -17.222 16.392 -14.358 970 HA HIS 31 HA HIS 31 -18.414 16.623 -17.041 971 1HB HIS 31 2HB HIS 31 -16.113 16.423 -17.783 972 2HB HIS 31 1HB HIS 31 -16.160 17.509 -16.401 973 HD1 HIS 31 HD1 HIS 31 -16.568 14.653 -14.592 974 HD2 HIS 31 HD2 HIS 31 -13.358 15.971 -16.894 975 HE1 HIS 31 HE1 HIS 31 -14.517 13.436 -13.731 976 H MET 32 HN MET 32 -18.379 14.185 -14.806 977 HA MET 32 HA MET 32 -18.421 12.085 -16.953 978 1HB MET 32 2HB MET 32 -17.966 11.970 -13.960 979 2HB MET 32 1HB MET 32 -18.224 10.529 -14.945 980 1HG MET 32 2HG MET 32 -16.029 12.570 -15.397 981 2HG MET 32 1HG MET 32 -15.808 11.007 -14.610 982 1HE MET 32 1HE MET 32 -15.836 8.395 -17.018 983 2HE MET 32 2HE MET 32 -17.481 8.795 -16.533 984 3HE MET 32 3HE MET 32 -16.163 8.970 -15.377 985 H LEU 33 HN LEU 33 -20.291 13.996 -14.830 986 HA LEU 33 HA LEU 33 -22.482 12.192 -14.294 987 1HB LEU 33 2HB LEU 33 -21.971 15.154 -14.264 988 2HB LEU 33 1HB LEU 33 -23.614 14.556 -14.031 989 HG LEU 33 HG LEU 33 -21.325 13.420 -12.425 990 1HD1 LEU 33 1HD1 LEU 33 -21.115 15.316 -11.228 991 2HD1 LEU 33 2HD1 LEU 33 -22.853 15.337 -10.927 992 3HD1 LEU 33 3HD1 LEU 33 -22.197 16.130 -12.359 993 1HD2 LEU 33 1HD2 LEU 33 -23.013 12.563 -11.074 994 2HD2 LEU 33 2HD2 LEU 33 -23.804 12.526 -12.650 995 3HD2 LEU 33 3HD2 LEU 33 -24.153 13.833 -11.518 996 H ASP 34 HN ASP 34 -21.826 14.568 -16.856 997 HA ASP 34 HA ASP 34 -24.430 14.216 -18.118 998 1HB ASP 34 2HB ASP 34 -22.970 16.278 -18.084 999 2HB ASP 34 1HB ASP 34 -21.868 15.443 -19.179 1000 H GLY 35 HN GLY 35 -24.942 12.536 -19.470 1001 1HA GLY 35 2HA GLY 35 -24.477 11.410 -21.589 1002 2HA GLY 35 1HA GLY 35 -22.764 11.421 -21.173 1003 H LEU 36 HN LEU 36 -22.784 10.369 -18.603 1004 HA LEU 36 HA LEU 36 -22.920 7.577 -19.185 1005 1HB LEU 36 2HB LEU 36 -21.447 8.796 -17.536 1006 2HB LEU 36 1HB LEU 36 -22.850 8.936 -16.477 1007 HG LEU 36 HG LEU 36 -22.029 6.253 -17.568 1008 1HD1 LEU 36 1HD1 LEU 36 -20.172 7.647 -16.262 1009 2HD1 LEU 36 2HD1 LEU 36 -20.412 5.928 -15.945 1010 3HD1 LEU 36 3HD1 LEU 36 -21.111 7.131 -14.859 1011 1HD2 LEU 36 1HD2 LEU 36 -22.967 6.095 -14.934 1012 2HD2 LEU 36 2HD2 LEU 36 -23.886 5.726 -16.394 1013 3HD2 LEU 36 3HD2 LEU 36 -23.969 7.338 -15.684 1014 H GLU 37 HN GLU 37 -24.384 5.975 -18.491 1015 HA GLU 37 HA GLU 37 -26.832 6.787 -17.021 1016 1HB GLU 37 2HB GLU 37 -28.271 6.072 -18.834 1017 2HB GLU 37 1HB GLU 37 -27.096 7.204 -19.508 1018 1HG GLU 37 2HG GLU 37 -25.704 5.314 -20.267 1019 2HG GLU 37 1HG GLU 37 -26.877 4.181 -19.598 1020 H THR 38 HN THR 38 -28.193 4.735 -16.587 1021 HA THR 38 HA THR 38 -26.522 2.654 -15.513 1022 HB THR 38 HB THR 38 -29.054 1.618 -15.692 1023 HG1 THR 38 HG1 THR 38 -30.244 3.166 -16.438 1024 1HG2 THR 38 1HG2 THR 38 -27.617 3.357 -13.754 1025 2HG2 THR 38 2HG2 THR 38 -28.198 1.704 -13.562 1026 3HG2 THR 38 3HG2 THR 38 -29.330 3.054 -13.472 1027 H GLY 39 HN GLY 39 -26.208 0.499 -16.297 1028 1HA GLY 39 2HA GLY 39 -26.205 -1.252 -17.907 1029 2HA GLY 39 1HA GLY 39 -27.225 -0.268 -18.950 1030 H ALA 40 HN ALA 40 -25.043 1.911 -18.123 1031 HA ALA 40 HA ALA 40 -23.423 1.688 -20.532 1032 1HB ALA 40 1HB ALA 40 -22.247 3.621 -19.322 1033 2HB ALA 40 2HB ALA 40 -23.417 3.384 -18.020 1034 3HB ALA 40 3HB ALA 40 -23.969 3.851 -19.630 1035 H SER 41 HN SER 41 -21.059 1.339 -20.456 1036 HA SER 41 HA SER 41 -20.252 -0.388 -18.149 1037 1HB SER 41 2HB SER 41 -18.358 -0.896 -19.934 1038 2HB SER 41 1HB SER 41 -19.939 -1.649 -20.073 1039 HG SER 41 HG SER 41 -19.525 0.856 -21.219 1040 H VAL 42 HN VAL 42 -19.082 0.699 -16.665 1041 HA VAL 42 HA VAL 42 -17.329 2.964 -17.532 1042 HB VAL 42 HB VAL 42 -18.814 2.145 -15.080 1043 1HG1 VAL 42 1HG1 VAL 42 -17.198 3.857 -13.861 1044 2HG1 VAL 42 2HG1 VAL 42 -16.028 3.191 -15.002 1045 3HG1 VAL 42 3HG1 VAL 42 -16.868 2.124 -13.876 1046 1HG2 VAL 42 1HG2 VAL 42 -18.033 4.925 -15.423 1047 2HG2 VAL 42 2HG2 VAL 42 -19.650 4.227 -15.308 1048 3HG2 VAL 42 3HG2 VAL 42 -18.816 4.273 -16.863 1049 H ALA 43 HN ALA 43 -15.177 2.534 -17.720 1050 HA ALA 43 HA ALA 43 -14.081 0.006 -16.620 1051 1HB ALA 43 1HB ALA 43 -12.543 2.171 -18.039 1052 2HB ALA 43 2HB ALA 43 -13.640 1.133 -18.949 1053 3HB ALA 43 3HB ALA 43 -12.282 0.427 -18.072 1054 H HIS 44 HN HIS 44 -13.335 0.069 -14.547 1055 HA HIS 44 HA HIS 44 -12.639 2.664 -13.298 1056 1HB HIS 44 2HB HIS 44 -13.203 -0.152 -12.446 1057 2HB HIS 44 1HB HIS 44 -12.230 0.852 -11.373 1058 HD1 HIS 44 HD1 HIS 44 -15.059 2.251 -13.488 1059 HD2 HIS 44 HD2 HIS 44 -14.261 1.318 -9.492 1060 HE1 HIS 44 HE1 HIS 44 -16.965 3.213 -12.121 1061 HE2 HIS 44 HE2 HIS 44 -16.488 2.643 -9.702 1062 H ASN 45 HN ASN 45 -10.649 3.303 -13.962 1063 HA ASN 45 HA ASN 45 -8.352 3.298 -14.415 1064 1HB ASN 45 2HB ASN 45 -8.656 2.063 -12.033 1065 2HB ASN 45 1HB ASN 45 -7.947 0.738 -12.962 1066 1HD2 ASN 45 1HD2 ASN 45 -7.271 3.799 -11.452 1067 2HD2 ASN 45 2HD2 ASN 45 -5.653 3.920 -11.931 1068 H GLY 46 HN GLY 46 -10.481 1.221 -15.737 1069 1HA GLY 46 2HA GLY 46 -9.736 0.641 -18.069 1070 2HA GLY 46 1HA GLY 46 -8.345 -0.139 -17.320 1071 H CYS 47 HN CYS 47 -10.868 -0.820 -15.267 1072 HA CYS 47 HA CYS 47 -11.349 -3.444 -16.621 1073 1HB CYS 47 2HB CYS 47 -10.505 -3.406 -14.280 1074 2HB CYS 47 1HB CYS 47 -11.923 -2.482 -13.791 1075 HG CYS 47 HG CYS 47 -13.304 -4.665 -14.785 1076 H CYS 48 HN CYS 48 -13.080 -3.142 -18.038 1077 HA CYS 48 HA CYS 48 -15.146 -1.195 -17.608 1078 1HB CYS 48 2HB CYS 48 -16.170 -2.340 -19.577 1079 2HB CYS 48 1HB CYS 48 -14.462 -1.992 -19.826 1080 HG CYS 48 HG CYS 48 -13.909 -4.462 -19.626 1081 H LEU 49 HN LEU 49 -16.980 -1.350 -16.433 1082 HA LEU 49 HA LEU 49 -18.242 -4.010 -16.043 1083 1HB LEU 49 2HB LEU 49 -18.595 -3.275 -13.596 1084 2HB LEU 49 1HB LEU 49 -16.961 -3.771 -14.039 1085 HG LEU 49 HG LEU 49 -17.468 -0.926 -14.531 1086 1HD1 LEU 49 1HD1 LEU 49 -18.380 -2.095 -12.047 1087 2HD1 LEU 49 2HD1 LEU 49 -18.475 -0.417 -12.583 1088 3HD1 LEU 49 3HD1 LEU 49 -17.034 -0.995 -11.746 1089 1HD2 LEU 49 1HD2 LEU 49 -15.230 -0.849 -14.114 1090 2HD2 LEU 49 2HD2 LEU 49 -15.301 -2.610 -14.126 1091 3HD2 LEU 49 3HD2 LEU 49 -15.403 -1.735 -12.599 1092 H THR 50 HN THR 50 -20.577 -3.740 -15.467 1093 HA THR 50 HA THR 50 -21.575 -1.347 -16.888 1094 HB THR 50 HB THR 50 -23.026 -3.860 -16.011 1095 HG1 THR 50 HG1 THR 50 -21.579 -4.684 -17.325 1096 1HG2 THR 50 1HG2 THR 50 -24.094 -3.013 -18.397 1097 2HG2 THR 50 2HG2 THR 50 -23.706 -1.481 -17.616 1098 3HG2 THR 50 3HG2 THR 50 -24.767 -2.636 -16.812 1099 H VAL 51 HN VAL 51 -23.255 -0.031 -16.120 1100 HA VAL 51 HA VAL 51 -23.293 0.464 -13.256 1101 HB VAL 51 HB VAL 51 -25.005 1.563 -15.511 1102 1HG1 VAL 51 1HG1 VAL 51 -25.981 2.467 -13.648 1103 2HG1 VAL 51 2HG1 VAL 51 -24.659 3.618 -13.846 1104 3HG1 VAL 51 3HG1 VAL 51 -24.520 2.305 -12.674 1105 1HG2 VAL 51 1HG2 VAL 51 -22.192 2.111 -14.642 1106 2HG2 VAL 51 2HG2 VAL 51 -23.171 3.421 -15.302 1107 3HG2 VAL 51 3HG2 VAL 51 -22.857 1.982 -16.270 1108 H THR 52 HN THR 52 -24.529 -0.767 -11.896 1109 HA THR 52 HA THR 52 -26.879 -2.277 -12.747 1110 HB THR 52 HB THR 52 -26.980 -2.845 -10.400 1111 HG1 THR 52 HG1 THR 52 -26.760 -1.095 -9.229 1112 1HG2 THR 52 1HG2 THR 52 -25.041 -3.735 -11.702 1113 2HG2 THR 52 2HG2 THR 52 -24.704 -3.582 -9.978 1114 3HG2 THR 52 3HG2 THR 52 -24.070 -2.388 -11.109 1115 H GLU 53 HN GLU 53 -26.271 0.792 -11.036 1116 HA GLU 53 HA GLU 53 -28.911 1.810 -11.837 1117 1HB GLU 53 2HB GLU 53 -29.421 0.336 -9.927 1118 2HB GLU 53 1HB GLU 53 -28.242 1.200 -8.941 1119 1HG GLU 53 2HG GLU 53 -29.533 3.285 -9.216 1120 2HG GLU 53 1HG GLU 53 -30.716 2.421 -10.199 1121 H ILE 54 HN ILE 54 -29.077 4.092 -11.432 1122 HA ILE 54 HA ILE 54 -26.503 5.419 -10.616 1123 HB ILE 54 HB ILE 54 -28.889 6.240 -12.312 1124 1HG1 ILE 54 2HG1 ILE 54 -26.098 6.410 -13.276 1125 2HG1 ILE 54 1HG1 ILE 54 -26.690 4.778 -12.977 1126 1HG2 ILE 54 1HG2 ILE 54 -27.039 7.876 -10.804 1127 2HG2 ILE 54 2HG2 ILE 54 -28.401 8.381 -11.805 1128 3HG2 ILE 54 3HG2 ILE 54 -26.814 8.139 -12.534 1129 1HD1 ILE 54 1HD1 ILE 54 -28.200 4.866 -14.701 1130 2HD1 ILE 54 2HD1 ILE 54 -27.104 6.107 -15.307 1131 3HD1 ILE 54 3HD1 ILE 54 -28.556 6.573 -14.424 1132 H ASN 55 HN ASN 55 -26.496 6.577 -8.787 1133 HA ASN 55 HA ASN 55 -29.091 6.970 -7.345 1134 1HB ASN 55 2HB ASN 55 -26.198 6.629 -6.588 1135 2HB ASN 55 1HB ASN 55 -27.313 7.387 -5.449 1136 1HD2 ASN 55 1HD2 ASN 55 -26.552 4.358 -7.125 1137 2HD2 ASN 55 2HD2 ASN 55 -27.591 3.383 -6.203 1138 H GLY 56 HN GLY 56 -29.142 8.809 -9.143 1139 1HA GLY 56 2HA GLY 56 -29.196 11.164 -9.429 1140 2HA GLY 56 1HA GLY 56 -28.399 11.343 -7.864 1141 H ASN 57 HN ASN 57 -26.329 12.070 -7.993 1142 HA ASN 57 HA ASN 57 -24.883 12.010 -10.534 1143 1HB ASN 57 2HB ASN 57 -23.716 13.680 -9.525 1144 2HB ASN 57 1HB ASN 57 -24.916 13.564 -8.258 1145 1HD2 ASN 57 1HD2 ASN 57 -21.908 11.955 -9.248 1146 2HD2 ASN 57 2HD2 ASN 57 -21.298 11.727 -7.682 1147 H HIS 58 HN HIS 58 -25.187 10.002 -7.734 1148 HA HIS 58 HA HIS 58 -22.614 8.670 -7.902 1149 1HB HIS 58 2HB HIS 58 -25.267 8.233 -6.567 1150 2HB HIS 58 1HB HIS 58 -24.039 6.973 -6.499 1151 HD1 HIS 58 HD1 HIS 58 -25.164 9.493 -4.410 1152 HD2 HIS 58 HD2 HIS 58 -21.337 8.568 -5.800 1153 HE1 HIS 58 HE1 HIS 58 -23.529 10.548 -2.791 1154 H VAL 59 HN VAL 59 -22.343 6.396 -8.536 1155 HA VAL 59 HA VAL 59 -24.538 5.282 -10.196 1156 HB VAL 59 HB VAL 59 -21.684 5.805 -11.047 1157 1HG1 VAL 59 1HG1 VAL 59 -23.676 3.799 -11.954 1158 2HG1 VAL 59 2HG1 VAL 59 -21.914 3.757 -12.060 1159 3HG1 VAL 59 3HG1 VAL 59 -22.848 4.700 -13.223 1160 1HG2 VAL 59 1HG2 VAL 59 -24.342 6.961 -11.525 1161 2HG2 VAL 59 2HG2 VAL 59 -23.468 6.591 -13.017 1162 3HG2 VAL 59 3HG2 VAL 59 -22.746 7.661 -11.815 1163 H SER 60 HN SER 60 -24.898 3.250 -9.469 1164 HA SER 60 HA SER 60 -22.811 1.796 -7.940 1165 1HB SER 60 2HB SER 60 -25.424 2.082 -7.535 1166 2HB SER 60 1HB SER 60 -25.501 0.709 -8.634 1167 HG SER 60 HG SER 60 -25.051 -0.418 -6.926 1168 H PHE 61 HN PHE 61 -21.686 0.097 -8.832 1169 HA PHE 61 HA PHE 61 -22.687 -0.995 -11.452 1170 1HB PHE 61 2HB PHE 61 -20.110 -1.293 -11.860 1171 2HB PHE 61 1HB PHE 61 -20.831 0.299 -12.082 1172 HD1 PHE 61 HD1 PHE 61 -18.442 -1.669 -10.193 1173 HD2 PHE 61 HD2 PHE 61 -20.714 1.980 -10.194 1174 HE1 PHE 61 HE1 PHE 61 -16.928 -0.726 -8.466 1175 HE2 PHE 61 HE2 PHE 61 -19.205 2.923 -8.468 1176 HZ PHE 61 HZ PHE 61 -17.309 1.572 -7.605 1177 H ASP 62 HN ASP 62 -22.299 -3.262 -11.766 1178 HA ASP 62 HA ASP 62 -22.367 -4.717 -9.231 1179 1HB ASP 62 2HB ASP 62 -23.000 -6.591 -10.728 1180 2HB ASP 62 1HB ASP 62 -23.928 -5.139 -11.097 1181 H LEU 63 HN LEU 63 -21.086 -6.531 -8.701 1182 HA LEU 63 HA LEU 63 -18.565 -7.037 -10.152 1183 1HB LEU 63 2HB LEU 63 -18.915 -5.023 -8.131 1184 2HB LEU 63 1HB LEU 63 -17.862 -6.280 -7.499 1185 HG LEU 63 HG LEU 63 -17.136 -5.719 -10.228 1186 1HD1 LEU 63 1HD1 LEU 63 -18.107 -3.445 -8.780 1187 2HD1 LEU 63 2HD1 LEU 63 -17.354 -3.484 -10.377 1188 3HD1 LEU 63 3HD1 LEU 63 -16.354 -3.294 -8.935 1189 1HD2 LEU 63 1HD2 LEU 63 -15.836 -6.605 -8.102 1190 2HD2 LEU 63 2HD2 LEU 63 -15.523 -4.893 -7.827 1191 3HD2 LEU 63 3HD2 LEU 63 -14.975 -5.659 -9.317 1192 H MET 64 HN MET 64 -19.020 -9.301 -10.048 1193 HA MET 64 HA MET 64 -20.161 -10.648 -7.808 1194 1HB MET 64 2HB MET 64 -19.874 -11.464 -10.187 1195 2HB MET 64 1HB MET 64 -18.170 -11.737 -9.822 1196 1HG MET 64 2HG MET 64 -18.766 -13.298 -8.038 1197 2HG MET 64 1HG MET 64 -20.481 -12.978 -8.300 1198 1HE MET 64 1HE MET 64 -17.246 -14.098 -9.453 1199 2HE MET 64 2HE MET 64 -17.454 -15.185 -10.822 1200 3HE MET 64 3HE MET 64 -17.835 -15.745 -9.196 1201 H LYS 65 HN LYS 65 -19.217 -11.510 -5.945 1202 HA LYS 65 HA LYS 65 -16.958 -10.231 -4.880 1203 1HB LYS 65 2HB LYS 65 -18.749 -11.344 -3.600 1204 2HB LYS 65 1HB LYS 65 -18.185 -12.916 -4.171 1205 1HG LYS 65 2HG LYS 65 -17.308 -12.472 -1.920 1206 2HG LYS 65 1HG LYS 65 -15.990 -12.502 -3.092 1207 1HD LYS 65 2HD LYS 65 -15.898 -10.092 -3.163 1208 2HD LYS 65 1HD LYS 65 -17.369 -9.958 -2.199 1209 1HE LYS 65 2HE LYS 65 -15.437 -9.574 -0.745 1210 2HE LYS 65 1HE LYS 65 -16.153 -11.141 -0.321 1211 1HZ LYS 65 1HZ LYS 65 -13.953 -10.783 -2.284 1212 2HZ LYS 65 2HZ LYS 65 -14.589 -12.256 -1.724 1213 3HZ LYS 65 3HZ LYS 65 -13.716 -11.248 -0.671 1214 H GLU 66 HN GLU 66 -17.142 -13.579 -6.186 1215 HA GLU 66 HA GLU 66 -14.342 -14.149 -5.858 1216 1HB GLU 66 2HB GLU 66 -16.109 -15.839 -6.235 1217 2HB GLU 66 1HB GLU 66 -16.392 -15.185 -7.850 1218 1HG GLU 66 2HG GLU 66 -14.106 -15.755 -8.516 1219 2HG GLU 66 1HG GLU 66 -13.757 -16.339 -6.888 1220 H THR 67 HN THR 67 -16.214 -12.728 -8.526 1221 HA THR 67 HA THR 67 -14.050 -12.375 -10.389 1222 HB THR 67 HB THR 67 -16.566 -10.786 -9.794 1223 HG1 THR 67 HG1 THR 67 -15.926 -12.888 -11.574 1224 1HG2 THR 67 1HG2 THR 67 -15.918 -10.494 -12.485 1225 2HG2 THR 67 2HG2 THR 67 -14.373 -10.322 -11.654 1226 3HG2 THR 67 3HG2 THR 67 -15.724 -9.271 -11.230 1227 H LEU 68 HN LEU 68 -15.278 -10.441 -7.671 1228 HA LEU 68 HA LEU 68 -13.662 -8.130 -8.024 1229 1HB LEU 68 2HB LEU 68 -15.659 -8.387 -6.580 1230 2HB LEU 68 1HB LEU 68 -14.761 -9.488 -5.541 1231 HG LEU 68 HG LEU 68 -13.076 -7.601 -5.219 1232 1HD1 LEU 68 1HD1 LEU 68 -13.936 -6.311 -7.221 1233 2HD1 LEU 68 2HD1 LEU 68 -13.803 -5.353 -5.748 1234 3HD1 LEU 68 3HD1 LEU 68 -15.379 -5.937 -6.278 1235 1HD2 LEU 68 1HD2 LEU 68 -15.260 -6.339 -3.970 1236 2HD2 LEU 68 2HD2 LEU 68 -14.222 -7.584 -3.275 1237 3HD2 LEU 68 3HD2 LEU 68 -15.713 -8.039 -4.101 1238 H ARG 69 HN ARG 69 -13.081 -11.177 -6.253 1239 HA ARG 69 HA ARG 69 -10.479 -10.427 -5.209 1240 1HB ARG 69 2HB ARG 69 -11.902 -12.184 -4.259 1241 2HB ARG 69 1HB ARG 69 -11.822 -13.090 -5.770 1242 1HG ARG 69 2HG ARG 69 -9.300 -13.140 -5.480 1243 2HG ARG 69 1HG ARG 69 -9.555 -12.504 -3.854 1244 1HD ARG 69 2HD ARG 69 -11.216 -14.856 -4.600 1245 2HD ARG 69 1HD ARG 69 -9.484 -15.158 -4.357 1246 HE ARG 69 HE ARG 69 -10.541 -13.453 -2.275 1247 1HH1 ARG 69 1HH1 ARG 69 -10.354 -16.708 -3.425 1248 2HH1 ARG 69 2HH1 ARG 69 -10.522 -17.407 -1.851 1249 1HH2 ARG 69 1HH2 ARG 69 -10.758 -14.360 -0.218 1250 2HH2 ARG 69 2HH2 ARG 69 -10.750 -16.083 -0.039 1251 H ILE 70 HN ILE 70 -11.588 -12.183 -8.106 1252 HA ILE 70 HA ILE 70 -9.032 -13.059 -8.993 1253 HB ILE 70 HB ILE 70 -11.679 -13.354 -9.639 1254 1HG1 ILE 70 2HG1 ILE 70 -9.416 -14.141 -11.474 1255 2HG1 ILE 70 1HG1 ILE 70 -9.701 -14.913 -9.914 1256 1HG2 ILE 70 1HG2 ILE 70 -11.756 -12.845 -12.129 1257 2HG2 ILE 70 2HG2 ILE 70 -10.361 -11.799 -11.868 1258 3HG2 ILE 70 3HG2 ILE 70 -11.891 -11.448 -11.063 1259 1HD1 ILE 70 1HD1 ILE 70 -11.259 -15.110 -12.436 1260 2HD1 ILE 70 2HD1 ILE 70 -12.200 -15.037 -10.945 1261 3HD1 ILE 70 3HD1 ILE 70 -11.005 -16.314 -11.172 1262 H THR 71 HN THR 71 -10.939 -10.175 -9.799 1263 HA THR 71 HA THR 71 -8.793 -9.010 -11.437 1264 HB THR 71 HB THR 71 -10.360 -7.166 -11.640 1265 HG1 THR 71 HG1 THR 71 -11.534 -8.377 -9.376 1266 1HG2 THR 71 1HG2 THR 71 -10.933 -9.419 -12.715 1267 2HG2 THR 71 2HG2 THR 71 -12.255 -8.263 -12.536 1268 3HG2 THR 71 3HG2 THR 71 -12.106 -9.615 -11.410 1269 H ASN 72 HN ASN 72 -8.475 -6.503 -10.651 1270 HA ASN 72 HA ASN 72 -7.626 -6.596 -7.789 1271 1HB ASN 72 2HB ASN 72 -5.799 -5.975 -9.122 1272 2HB ASN 72 1HB ASN 72 -6.805 -5.105 -10.270 1273 1HD2 ASN 72 1HD2 ASN 72 -5.734 -3.053 -10.115 1274 2HD2 ASN 72 2HD2 ASN 72 -5.701 -2.144 -8.678 1275 H LEU 73 HN LEU 73 -10.410 -6.246 -9.069 1276 HA LEU 73 HA LEU 73 -11.240 -3.510 -8.547 1277 1HB LEU 73 2HB LEU 73 -12.629 -6.197 -8.772 1278 2HB LEU 73 1HB LEU 73 -13.507 -4.681 -8.572 1279 HG LEU 73 HG LEU 73 -11.526 -5.188 -10.823 1280 1HD1 LEU 73 1HD1 LEU 73 -13.207 -5.989 -12.146 1281 2HD1 LEU 73 2HD1 LEU 73 -14.440 -5.007 -11.354 1282 3HD1 LEU 73 3HD1 LEU 73 -13.882 -6.499 -10.598 1283 1HD2 LEU 73 1HD2 LEU 73 -12.765 -2.847 -9.786 1284 2HD2 LEU 73 2HD2 LEU 73 -13.566 -3.215 -11.313 1285 3HD2 LEU 73 3HD2 LEU 73 -11.817 -2.997 -11.266 1286 H GLY 74 HN GLY 74 -11.186 -6.537 -6.659 1287 1HA GLY 74 2HA GLY 74 -12.630 -5.852 -4.410 1288 2HA GLY 74 1HA GLY 74 -11.188 -6.852 -4.337 1289 H ASP 75 HN ASP 75 -9.615 -4.455 -5.431 1290 HA ASP 75 HA ASP 75 -8.639 -3.594 -2.883 1291 1HB ASP 75 2HB ASP 75 -7.136 -2.266 -4.237 1292 2HB ASP 75 1HB ASP 75 -7.440 -3.774 -5.101 1293 H LEU 76 HN LEU 76 -11.221 -2.413 -4.845 1294 HA LEU 76 HA LEU 76 -11.190 0.363 -4.286 1295 1HB LEU 76 2HB LEU 76 -13.485 -1.568 -4.659 1296 2HB LEU 76 1HB LEU 76 -13.621 0.182 -4.792 1297 HG LEU 76 HG LEU 76 -11.777 -1.539 -6.473 1298 1HD1 LEU 76 1HD1 LEU 76 -13.478 -0.503 -8.248 1299 2HD1 LEU 76 2HD1 LEU 76 -14.558 -0.509 -6.855 1300 3HD1 LEU 76 3HD1 LEU 76 -13.834 -2.017 -7.415 1301 1HD2 LEU 76 1HD2 LEU 76 -11.858 1.268 -5.871 1302 2HD2 LEU 76 2HD2 LEU 76 -12.296 1.039 -7.567 1303 3HD2 LEU 76 3HD2 LEU 76 -10.764 0.413 -6.960 1304 H LYS 77 HN LYS 77 -11.915 1.581 -2.618 1305 HA LYS 77 HA LYS 77 -13.438 0.322 -0.397 1306 1HB LYS 77 2HB LYS 77 -10.797 1.798 -0.176 1307 2HB LYS 77 1HB LYS 77 -11.850 1.506 1.207 1308 1HG LYS 77 2HG LYS 77 -11.727 -0.924 0.792 1309 2HG LYS 77 1HG LYS 77 -10.669 -0.633 -0.590 1310 1HD LYS 77 2HD LYS 77 -9.010 0.426 0.898 1311 2HD LYS 77 1HD LYS 77 -10.064 0.134 2.282 1312 1HE LYS 77 2HE LYS 77 -9.623 -2.303 0.725 1313 2HE LYS 77 1HE LYS 77 -8.110 -1.620 1.353 1314 1HZ LYS 77 1HZ LYS 77 -10.501 -1.706 3.067 1315 2HZ LYS 77 2HZ LYS 77 -8.861 -1.685 3.514 1316 3HZ LYS 77 3HZ LYS 77 -9.556 -3.103 2.890 1317 H VAL 78 HN VAL 78 -14.898 1.806 0.535 1318 HA VAL 78 HA VAL 78 -15.639 4.084 -1.007 1319 HB VAL 78 HB VAL 78 -16.237 3.467 1.906 1320 1HG1 VAL 78 1HG1 VAL 78 -17.678 5.196 1.800 1321 2HG1 VAL 78 2HG1 VAL 78 -18.401 4.553 0.324 1322 3HG1 VAL 78 3HG1 VAL 78 -16.989 5.615 0.230 1323 1HG2 VAL 78 1HG2 VAL 78 -16.625 1.749 -0.161 1324 2HG2 VAL 78 2HG2 VAL 78 -18.109 2.696 -0.258 1325 3HG2 VAL 78 3HG2 VAL 78 -17.701 1.847 1.232 1326 H GLY 79 HN GLY 79 -15.391 6.318 -0.573 1327 1HA GLY 79 2HA GLY 79 -14.427 8.232 0.511 1328 2HA GLY 79 1HA GLY 79 -13.497 7.145 1.548 1329 H ASP 80 HN ASP 80 -12.997 5.616 -1.144 1330 HA ASP 80 HA ASP 80 -10.552 7.149 -1.882 1331 1HB ASP 80 2HB ASP 80 -10.661 4.643 -1.311 1332 2HB ASP 80 1HB ASP 80 -11.492 4.438 -2.851 1333 H TRP 81 HN TRP 81 -10.115 7.244 -4.314 1334 HA TRP 81 HA TRP 81 -12.678 7.588 -5.840 1335 1HB TRP 81 2HB TRP 81 -10.049 9.082 -5.875 1336 2HB TRP 81 1HB TRP 81 -11.204 9.210 -7.198 1337 HD1 TRP 81 HD1 TRP 81 -11.647 9.239 -3.343 1338 HE1 TRP 81 HE1 TRP 81 -13.127 11.252 -2.731 1339 HE3 TRP 81 HE3 TRP 81 -12.371 11.246 -7.986 1340 HZ2 TRP 81 HZ2 TRP 81 -14.444 13.431 -4.031 1341 HZ3 TRP 81 HZ3 TRP 81 -13.745 13.292 -8.270 1342 HH2 TRP 81 HH2 TRP 81 -14.783 14.382 -6.295 1343 H VAL 82 HN VAL 82 -12.513 7.010 -8.135 1344 HA VAL 82 HA VAL 82 -10.339 5.020 -8.721 1345 HB VAL 82 HB VAL 82 -12.333 3.779 -8.461 1346 1HG1 VAL 82 1HG1 VAL 82 -14.420 4.758 -9.843 1347 2HG1 VAL 82 2HG1 VAL 82 -13.593 6.273 -9.479 1348 3HG1 VAL 82 3HG1 VAL 82 -14.108 5.211 -8.167 1349 1HG2 VAL 82 1HG2 VAL 82 -12.614 2.830 -10.532 1350 2HG2 VAL 82 2HG2 VAL 82 -11.223 3.847 -10.914 1351 3HG2 VAL 82 3HG2 VAL 82 -12.853 4.391 -11.322 1352 H ASN 83 HN ASN 83 -9.691 4.925 -10.940 1353 HA ASN 83 HA ASN 83 -10.015 7.383 -12.540 1354 1HB ASN 83 2HB ASN 83 -8.332 4.994 -12.394 1355 2HB ASN 83 1HB ASN 83 -8.801 5.358 -14.039 1356 1HD2 ASN 83 1HD2 ASN 83 -8.930 8.246 -13.791 1357 2HD2 ASN 83 2HD2 ASN 83 -7.351 8.813 -13.538 1358 H VAL 84 HN VAL 84 -12.128 7.499 -13.354 1359 HA VAL 84 HA VAL 84 -13.305 4.971 -14.421 1360 HB VAL 84 HB VAL 84 -15.397 6.639 -14.422 1361 1HG1 VAL 84 1HG1 VAL 84 -15.988 5.679 -12.301 1362 2HG1 VAL 84 2HG1 VAL 84 -14.293 5.457 -11.861 1363 3HG1 VAL 84 3HG1 VAL 84 -15.004 4.494 -13.160 1364 1HG2 VAL 84 1HG2 VAL 84 -14.017 8.591 -13.698 1365 2HG2 VAL 84 2HG2 VAL 84 -13.623 7.728 -12.212 1366 3HG2 VAL 84 3HG2 VAL 84 -15.290 8.197 -12.543 1367 H GLU 85 HN GLU 85 -13.869 4.755 -16.510 1368 HA GLU 85 HA GLU 85 -13.580 7.120 -18.335 1369 1HB GLU 85 2HB GLU 85 -11.460 5.856 -18.211 1370 2HB GLU 85 1HB GLU 85 -12.319 4.371 -18.621 1371 1HG GLU 85 2HG GLU 85 -12.994 5.353 -20.782 1372 2HG GLU 85 1HG GLU 85 -12.131 6.837 -20.376 1373 H ARG 86 HN ARG 86 -15.068 7.085 -20.040 1374 HA ARG 86 HA ARG 86 -17.382 5.442 -19.874 1375 1HB ARG 86 2HB ARG 86 -17.259 7.635 -20.985 1376 2HB ARG 86 1HB ARG 86 -16.178 6.965 -22.209 1377 1HG ARG 86 2HG ARG 86 -17.936 5.385 -22.908 1378 2HG ARG 86 1HG ARG 86 -19.022 6.050 -21.687 1379 1HD ARG 86 2HD ARG 86 -18.916 8.265 -22.787 1380 2HD ARG 86 1HD ARG 86 -17.832 7.593 -24.022 1381 HE ARG 86 HE ARG 86 -19.705 6.537 -24.995 1382 1HH1 ARG 86 1HH1 ARG 86 -20.305 7.413 -21.705 1383 2HH1 ARG 86 2HH1 ARG 86 -21.960 6.907 -21.740 1384 1HH2 ARG 86 1HH2 ARG 86 -21.861 5.878 -25.048 1385 2HH2 ARG 86 2HH2 ARG 86 -22.841 6.041 -23.628 1386 H ALA 87 HN ALA 87 -17.686 3.357 -20.486 1387 HA ALA 87 HA ALA 87 -15.849 2.179 -22.547 1388 1HB ALA 87 1HB ALA 87 -15.956 1.497 -19.930 1389 2HB ALA 87 2HB ALA 87 -15.590 0.333 -21.205 1390 3HB ALA 87 3HB ALA 87 -17.228 0.449 -20.561 1391 H ALA 88 HN ALA 88 -16.879 0.815 -24.092 1392 HA ALA 88 HA ALA 88 -19.886 0.943 -24.072 1393 1HB ALA 88 1HB ALA 88 -18.952 2.700 -25.459 1394 2HB ALA 88 2HB ALA 88 -19.619 1.461 -26.522 1395 3HB ALA 88 3HB ALA 88 -17.877 1.551 -26.256 1396 H LYS 89 HN LYS 89 -20.950 -0.781 -25.052 1397 HA LYS 89 HA LYS 89 -19.553 -3.322 -25.426 1398 1HB LYS 89 2HB LYS 89 -21.824 -4.067 -26.013 1399 2HB LYS 89 1HB LYS 89 -21.883 -3.045 -24.576 1400 1HG LYS 89 2HG LYS 89 -22.137 -1.150 -26.485 1401 2HG LYS 89 1HG LYS 89 -22.889 -2.511 -27.317 1402 1HD LYS 89 2HD LYS 89 -24.129 -2.840 -25.009 1403 2HD LYS 89 1HD LYS 89 -23.732 -1.134 -24.793 1404 1HE LYS 89 2HE LYS 89 -24.825 -0.611 -26.963 1405 2HE LYS 89 1HE LYS 89 -25.267 -2.321 -27.135 1406 1HZ LYS 89 1HZ LYS 89 -25.885 -0.916 -24.628 1407 2HZ LYS 89 2HZ LYS 89 -26.673 -2.243 -25.340 1408 3HZ LYS 89 3HZ LYS 89 -26.898 -0.680 -25.967 1409 H PHE 90 HN PHE 90 -20.243 -0.545 -27.350 1410 HA PHE 90 HA PHE 90 -19.495 -2.065 -29.829 1411 1HB PHE 90 2HB PHE 90 -20.957 -0.555 -31.036 1412 2HB PHE 90 1HB PHE 90 -21.861 -1.193 -29.664 1413 HD1 PHE 90 HD1 PHE 90 -22.391 0.214 -27.729 1414 HD2 PHE 90 HD2 PHE 90 -20.185 1.767 -31.076 1415 HE1 PHE 90 HE1 PHE 90 -22.768 2.523 -26.904 1416 HE2 PHE 90 HE2 PHE 90 -20.562 4.078 -30.252 1417 HZ PHE 90 HZ PHE 90 -21.855 4.456 -28.167 1418 H SER 91 HN SER 91 -18.269 -0.737 -31.402 1419 HA SER 91 HA SER 91 -16.003 0.496 -30.247 1420 1HB SER 91 2HB SER 91 -17.250 0.597 -33.004 1421 2HB SER 91 1HB SER 91 -15.656 1.260 -32.655 1422 HG SER 91 HG SER 91 -15.485 -1.034 -31.615 1423 H ASP 92 HN ASP 92 -15.652 2.550 -29.501 1424 HA ASP 92 HA ASP 92 -17.761 4.527 -29.402 1425 1HB ASP 92 2HB ASP 92 -14.784 4.525 -28.834 1426 2HB ASP 92 1HB ASP 92 -15.823 5.910 -28.495 1427 H GLU 93 HN GLU 93 -14.810 4.158 -31.368 1428 HA GLU 93 HA GLU 93 -15.895 6.069 -33.364 1429 1HB GLU 93 2HB GLU 93 -13.386 6.440 -31.701 1430 2HB GLU 93 1HB GLU 93 -13.703 7.356 -33.175 1431 1HG GLU 93 2HG GLU 93 -15.804 8.210 -32.196 1432 2HG GLU 93 1HG GLU 93 -15.484 7.300 -30.719 1433 H ILE 94 HN ILE 94 -15.605 3.423 -33.900 1434 HA ILE 94 HA ILE 94 -12.929 3.049 -35.169 1435 HB ILE 94 HB ILE 94 -15.261 1.235 -34.502 1436 1HG1 ILE 94 2HG1 ILE 94 -13.820 1.859 -32.617 1437 2HG1 ILE 94 1HG1 ILE 94 -13.547 0.168 -33.041 1438 1HG2 ILE 94 1HG2 ILE 94 -13.626 -0.585 -35.281 1439 2HG2 ILE 94 2HG2 ILE 94 -12.745 0.708 -36.094 1440 3HG2 ILE 94 3HG2 ILE 94 -14.413 0.358 -36.547 1441 1HD1 ILE 94 1HD1 ILE 94 -11.756 2.529 -33.413 1442 2HD1 ILE 94 2HD1 ILE 94 -11.692 1.251 -34.626 1443 3HD1 ILE 94 3HD1 ILE 94 -11.354 0.880 -32.936 1444 H GLY 95 HN GLY 95 -15.736 4.459 -36.040 1445 1HA GLY 95 2HA GLY 95 -16.690 3.243 -38.361 1446 2HA GLY 95 1HA GLY 95 -16.630 4.992 -38.149 1447 H GLY 96 HN GLY 96 -14.965 2.215 -39.496 1448 1HA GLY 96 2HA GLY 96 -13.574 2.193 -41.409 1449 2HA GLY 96 1HA GLY 96 -13.677 3.953 -41.459 1450 H HIS 97 HN HIS 97 -12.819 2.782 -38.376 1451 HA HIS 97 HA HIS 97 -10.108 3.874 -38.631 1452 1HB HIS 97 2HB HIS 97 -11.520 4.171 -36.625 1453 2HB HIS 97 1HB HIS 97 -11.555 2.423 -36.389 1454 HD1 HIS 97 HD1 HIS 97 -8.846 5.086 -36.848 1455 HD2 HIS 97 HD2 HIS 97 -9.579 1.623 -34.646 1456 HE1 HIS 97 HE1 HIS 97 -6.835 4.754 -35.345 1457 HN3 RBF 98 HN3 RBF 98 4.459 6.494 -13.274 1458 HC6 RBF 98 HC6 RBF 98 2.997 5.007 -19.916 1459 1HC7 RBF 98 1HC7 RBF 98 1.924 4.665 -22.034 1460 2HC7 RBF 98 2HC7 RBF 98 2.468 6.137 -22.866 1461 3HC7 RBF 98 3HC7 RBF 98 0.732 5.822 -22.664 1462 1HC8 RBF 98 1HC8 RBF 98 -0.542 7.527 -22.188 1463 2HC8 RBF 98 2HC8 RBF 98 0.915 8.369 -22.758 1464 3HC8 RBF 98 3HC8 RBF 98 -0.194 9.176 -21.628 1465 HC9 RBF 98 HC9 RBF 98 0.503 9.273 -19.413 1466 1HC1 RBF 98 1HC1 RBF 98 1.327 10.431 -17.847 1467 2HC1 RBF 98 2HC1 RBF 98 1.342 10.198 -16.087 1468 HC2* RBF 98 HC2* RBF 98 -0.619 8.411 -17.099 1469 HO2* RBF 98 HO2* RBF 98 -1.849 9.662 -18.443 1470 HC3* RBF 98 HC3* RBF 98 -0.647 9.579 -14.924 1471 HO3* RBF 98 HO3* RBF 98 -2.952 10.585 -15.432 1472 HC4* RBF 98 HC4* RBF 98 0.255 11.752 -15.880 1473 HO4* RBF 98 HO4* RBF 98 -0.413 12.250 -13.909 1474 1HC5 RBF 98 1HC5 RBF 98 -2.497 11.712 -17.051 1475 2HC5 RBF 98 2HC5 RBF 98 -1.884 13.275 -16.468 1476 HO5* RBF 98 HO5* RBF 98 -1.262 12.938 -18.662 1477 HN3 RBF 99 HN3 RBF 99 -19.005 -6.335 -12.300 1478 HC6 RBF 99 HC6 RBF 99 -17.763 -5.457 -19.094 1479 1HC7 RBF 99 1HC7 RBF 99 -16.761 -5.310 -21.268 1480 2HC7 RBF 99 2HC7 RBF 99 -17.329 -6.852 -21.946 1481 3HC7 RBF 99 3HC7 RBF 99 -15.588 -6.521 -21.829 1482 1HC8 RBF 99 1HC8 RBF 99 -14.296 -8.176 -21.242 1483 2HC8 RBF 99 2HC8 RBF 99 -15.769 -9.066 -21.685 1484 3HC8 RBF 99 3HC8 RBF 99 -14.623 -9.768 -20.523 1485 HC9 RBF 99 HC9 RBF 99 -15.246 -9.662 -18.288 1486 1HC1 RBF 99 1HC1 RBF 99 -16.018 -10.672 -16.597 1487 2HC1 RBF 99 2HC1 RBF 99 -15.975 -10.280 -14.865 1488 HC2* RBF 99 HC2* RBF 99 -14.053 -8.595 -16.098 1489 HO2* RBF 99 HO2* RBF 99 -12.864 -9.964 -17.363 1490 HC3* RBF 99 HC3* RBF 99 -13.950 -9.560 -13.830 1491 HO3* RBF 99 HO3* RBF 99 -11.661 -10.611 -14.319 1492 HC4* RBF 99 HC4* RBF 99 -14.880 -11.809 -14.551 1493 HO4* RBF 99 HO4* RBF 99 -14.146 -12.127 -12.568 1494 1HC5 RBF 99 1HC5 RBF 99 -12.168 -11.880 -15.812 1495 2HC5 RBF 99 2HC5 RBF 99 -12.757 -13.383 -15.070 1496 HO5* RBF 99 HO5* RBF 99 -13.452 -13.246 -17.263 Start of MODEL 7 1 1H MET 1 1HT MET 1 -13.929 -0.366 -30.095 2 2H MET 1 2HT MET 1 -14.718 0.466 -28.840 3 3H MET 1 3HT MET 1 -15.607 -0.522 -29.900 4 HA MET 1 HA MET 1 -15.432 -1.935 -28.114 5 1HB MET 1 2HB MET 1 -12.906 -2.269 -29.766 6 2HB MET 1 1HB MET 1 -13.648 -3.529 -28.778 7 1HG MET 1 2HG MET 1 -15.078 -2.097 -31.033 8 2HG MET 1 1HG MET 1 -14.266 -3.652 -31.217 9 1HE MET 1 1HE MET 1 -14.920 -5.244 -28.445 10 2HE MET 1 2HE MET 1 -14.694 -5.652 -30.143 11 3HE MET 1 3HE MET 1 -16.157 -6.170 -29.308 12 H PHE 2 HN PHE 2 -14.074 -2.787 -26.273 13 HA PHE 2 HA PHE 2 -11.614 -1.533 -25.493 14 1HB PHE 2 2HB PHE 2 -12.485 -0.018 -23.800 15 2HB PHE 2 1HB PHE 2 -13.245 0.386 -25.339 16 HD1 PHE 2 HD1 PHE 2 -13.745 -1.652 -22.237 17 HD2 PHE 2 HD2 PHE 2 -15.603 0.397 -25.532 18 HE1 PHE 2 HE1 PHE 2 -15.976 -2.062 -21.235 19 HE2 PHE 2 HE2 PHE 2 -17.830 -0.011 -24.523 20 HZ PHE 2 HZ PHE 2 -18.017 -1.255 -22.381 21 H THR 3 HN THR 3 -10.918 -2.412 -23.405 22 HA THR 3 HA THR 3 -12.808 -4.185 -21.999 23 HB THR 3 HB THR 3 -11.238 -6.101 -22.333 24 HG1 THR 3 HG1 THR 3 -9.328 -5.516 -22.948 25 1HG2 THR 3 1HG2 THR 3 -11.887 -6.572 -24.606 26 2HG2 THR 3 2HG2 THR 3 -12.074 -4.854 -24.967 27 3HG2 THR 3 3HG2 THR 3 -13.193 -5.652 -23.862 28 H GLY 4 HN GLY 4 -9.498 -2.943 -22.346 29 1HA GLY 4 2HA GLY 4 -7.822 -2.596 -20.741 30 2HA GLY 4 1HA GLY 4 -9.135 -1.957 -19.749 31 H ILE 5 HN ILE 5 -9.297 -5.247 -20.890 32 HA ILE 5 HA ILE 5 -9.545 -6.185 -18.140 33 HB ILE 5 HB ILE 5 -9.352 -7.634 -20.801 34 1HG1 ILE 5 2HG1 ILE 5 -11.788 -6.962 -19.126 35 2HG1 ILE 5 1HG1 ILE 5 -11.241 -5.970 -20.477 36 1HG2 ILE 5 1HG2 ILE 5 -9.791 -9.599 -19.722 37 2HG2 ILE 5 2HG2 ILE 5 -10.793 -8.820 -18.499 38 3HG2 ILE 5 3HG2 ILE 5 -9.036 -8.781 -18.355 39 1HD1 ILE 5 1HD1 ILE 5 -12.678 -7.335 -21.641 40 2HD1 ILE 5 2HD1 ILE 5 -12.502 -8.667 -20.496 41 3HD1 ILE 5 3HD1 ILE 5 -11.247 -8.366 -21.698 42 H VAL 6 HN VAL 6 -8.039 -7.254 -16.891 43 HA VAL 6 HA VAL 6 -5.240 -7.165 -17.860 44 HB VAL 6 HB VAL 6 -6.728 -7.112 -15.269 45 1HG1 VAL 6 1HG1 VAL 6 -5.237 -8.917 -14.734 46 2HG1 VAL 6 2HG1 VAL 6 -4.505 -7.457 -14.068 47 3HG1 VAL 6 3HG1 VAL 6 -3.894 -8.140 -15.574 48 1HG2 VAL 6 1HG2 VAL 6 -4.663 -5.470 -14.957 49 2HG2 VAL 6 2HG2 VAL 6 -6.064 -4.990 -15.912 50 3HG2 VAL 6 3HG2 VAL 6 -4.608 -5.580 -16.714 51 H GLN 7 HN GLN 7 -3.864 -8.982 -17.805 52 HA GLN 7 HA GLN 7 -5.244 -11.608 -17.898 53 1HB GLN 7 2HB GLN 7 -2.515 -10.567 -18.699 54 2HB GLN 7 1HB GLN 7 -2.972 -12.265 -18.839 55 1HG GLN 7 2HG GLN 7 -4.754 -11.742 -20.369 56 2HG GLN 7 1HG GLN 7 -4.564 -10.012 -20.085 57 1HE2 GLN 7 1HE2 GLN 7 -4.338 -11.195 -22.718 58 2HE2 GLN 7 2HE2 GLN 7 -2.735 -10.990 -23.240 59 H GLY 8 HN GLY 8 -3.037 -9.783 -15.841 60 1HA GLY 8 2HA GLY 8 -2.888 -12.163 -14.046 61 2HA GLY 8 1HA GLY 8 -1.385 -11.396 -14.557 62 H THR 9 HN THR 9 -1.689 -11.399 -11.915 63 HA THR 9 HA THR 9 -2.590 -8.609 -11.285 64 HB THR 9 HB THR 9 -3.076 -9.701 -8.977 65 HG1 THR 9 HG1 THR 9 -3.751 -12.013 -9.640 66 1HG2 THR 9 1HG2 THR 9 -4.627 -9.957 -11.520 67 2HG2 THR 9 2HG2 THR 9 -4.997 -9.021 -10.070 68 3HG2 THR 9 3HG2 THR 9 -5.248 -10.768 -10.082 69 H ALA 10 HN ALA 10 -1.476 -7.749 -9.314 70 HA ALA 10 HA ALA 10 1.285 -8.854 -8.928 71 1HB ALA 10 1HB ALA 10 0.359 -6.383 -10.173 72 2HB ALA 10 2HB ALA 10 1.993 -7.051 -10.105 73 3HB ALA 10 3HB ALA 10 1.397 -6.049 -8.784 74 H LYS 11 HN LYS 11 2.115 -8.479 -6.822 75 HA LYS 11 HA LYS 11 0.063 -7.569 -4.832 76 1HB LYS 11 2HB LYS 11 0.910 -9.883 -4.670 77 2HB LYS 11 1HB LYS 11 2.553 -9.267 -4.562 78 1HG LYS 11 2HG LYS 11 2.038 -8.099 -2.490 79 2HG LYS 11 1HG LYS 11 0.348 -8.585 -2.606 80 1HD LYS 11 2HD LYS 11 0.773 -10.643 -1.772 81 2HD LYS 11 1HD LYS 11 2.202 -10.848 -2.787 82 1HE LYS 11 2HE LYS 11 3.474 -9.350 -1.224 83 2HE LYS 11 1HE LYS 11 2.048 -9.317 -0.165 84 1HZ LYS 11 1HZ LYS 11 3.742 -11.618 -0.910 85 2HZ LYS 11 2HZ LYS 11 2.132 -11.858 -0.424 86 3HZ LYS 11 3HZ LYS 11 3.242 -11.125 0.634 87 H LEU 12 HN LEU 12 0.443 -5.493 -4.147 88 HA LEU 12 HA LEU 12 2.926 -4.064 -4.359 89 1HB LEU 12 2HB LEU 12 0.446 -3.318 -3.884 90 2HB LEU 12 1HB LEU 12 0.857 -3.654 -2.215 91 HG LEU 12 HG LEU 12 2.651 -2.043 -2.252 92 1HD1 LEU 12 1HD1 LEU 12 2.082 -2.032 -5.217 93 2HD1 LEU 12 2HD1 LEU 12 3.621 -2.298 -4.396 94 3HD1 LEU 12 3HD1 LEU 12 2.914 -0.682 -4.442 95 1HD2 LEU 12 1HD2 LEU 12 0.951 -0.213 -3.639 96 2HD2 LEU 12 2HD2 LEU 12 1.100 -0.446 -1.898 97 3HD2 LEU 12 3HD2 LEU 12 -0.081 -1.382 -2.815 98 H VAL 13 HN VAL 13 4.723 -4.376 -3.169 99 HA VAL 13 HA VAL 13 4.447 -5.743 -0.519 100 HB VAL 13 HB VAL 13 5.393 -7.315 -1.987 101 1HG1 VAL 13 1HG1 VAL 13 6.454 -4.941 -3.341 102 2HG1 VAL 13 2HG1 VAL 13 5.980 -6.505 -4.007 103 3HG1 VAL 13 3HG1 VAL 13 7.577 -6.298 -3.284 104 1HG2 VAL 13 1HG2 VAL 13 8.026 -6.202 -1.263 105 2HG2 VAL 13 2HG2 VAL 13 7.326 -7.774 -0.869 106 3HG2 VAL 13 3HG2 VAL 13 6.892 -6.350 0.079 107 H SER 14 HN SER 14 6.066 -3.329 -2.485 108 HA SER 14 HA SER 14 7.033 -2.024 0.035 109 1HB SER 14 2HB SER 14 8.609 -3.679 -1.419 110 2HB SER 14 1HB SER 14 8.924 -2.157 -2.243 111 HG SER 14 HG SER 14 8.904 -2.130 0.541 112 H ILE 15 HN ILE 15 7.088 0.225 -0.115 113 HA ILE 15 HA ILE 15 6.434 1.424 -2.790 114 HB ILE 15 HB ILE 15 6.149 2.682 -0.052 115 1HG1 ILE 15 2HG1 ILE 15 4.180 1.075 -1.692 116 2HG1 ILE 15 1HG1 ILE 15 4.775 0.713 -0.074 117 1HG2 ILE 15 1HG2 ILE 15 4.414 4.021 -1.420 118 2HG2 ILE 15 2HG2 ILE 15 5.188 3.329 -2.844 119 3HG2 ILE 15 3HG2 ILE 15 6.119 4.349 -1.746 120 1HD1 ILE 15 1HD1 ILE 15 2.931 2.944 -0.923 121 2HD1 ILE 15 2HD1 ILE 15 3.793 2.988 0.616 122 3HD1 ILE 15 3HD1 ILE 15 2.642 1.693 0.285 123 H ASP 16 HN ASP 16 8.006 2.634 -3.691 124 HA ASP 16 HA ASP 16 10.305 3.530 -2.005 125 1HB ASP 16 2HB ASP 16 9.898 2.875 -4.914 126 2HB ASP 16 1HB ASP 16 11.258 3.879 -4.415 127 H GLU 17 HN GLU 17 10.086 5.647 -1.389 128 HA GLU 17 HA GLU 17 8.451 7.460 -3.108 129 1HB GLU 17 2HB GLU 17 9.265 7.443 -0.190 130 2HB GLU 17 1HB GLU 17 8.404 8.790 -0.936 131 1HG GLU 17 2HG GLU 17 6.577 7.265 -1.591 132 2HG GLU 17 1HG GLU 17 7.434 5.918 -0.841 133 H LYS 18 HN LYS 18 9.871 8.451 -4.538 134 HA LYS 18 HA LYS 18 12.467 9.483 -3.488 135 1HB LYS 18 2HB LYS 18 11.537 9.521 -6.360 136 2HB LYS 18 1HB LYS 18 13.180 9.406 -5.738 137 1HG LYS 18 2HG LYS 18 11.095 7.230 -5.381 138 2HG LYS 18 1HG LYS 18 12.290 7.243 -6.680 139 1HD LYS 18 2HD LYS 18 13.009 7.382 -3.739 140 2HD LYS 18 1HD LYS 18 12.973 5.882 -4.668 141 1HE LYS 18 2HE LYS 18 14.965 6.340 -5.667 142 2HE LYS 18 1HE LYS 18 14.499 8.022 -5.994 143 1HZ LYS 18 1HZ LYS 18 14.968 7.184 -3.218 144 2HZ LYS 18 2HZ LYS 18 15.161 8.715 -3.928 145 3HZ LYS 18 3HZ LYS 18 16.310 7.496 -4.206 146 HA PRO 19 HA PRO 19 10.634 13.484 -3.051 147 1HB PRO 19 2HB PRO 19 13.050 14.859 -3.563 148 2HB PRO 19 1HB PRO 19 12.442 14.359 -1.974 149 1HG PRO 19 2HG PRO 19 14.454 13.063 -3.721 150 2HG PRO 19 1HG PRO 19 14.350 13.111 -1.955 151 1HD PRO 19 2HD PRO 19 13.730 10.901 -3.348 152 2HD PRO 19 1HD PRO 19 12.856 11.346 -1.863 153 H ASN 20 HN ASN 20 12.353 12.336 -5.841 154 HA ASN 20 HA ASN 20 11.524 14.640 -7.525 155 1HB ASN 20 2HB ASN 20 12.667 12.097 -8.629 156 2HB ASN 20 1HB ASN 20 13.018 13.762 -9.083 157 1HD2 ASN 20 1HD2 ASN 20 13.499 14.583 -6.236 158 2HD2 ASN 20 2HD2 ASN 20 14.985 13.900 -5.809 159 H PHE 21 HN PHE 21 10.836 11.220 -7.006 160 HA PHE 21 HA PHE 21 8.188 11.513 -8.324 161 1HB PHE 21 2HB PHE 21 10.345 9.565 -9.211 162 2HB PHE 21 1HB PHE 21 8.711 9.650 -9.868 163 HD1 PHE 21 HD1 PHE 21 7.974 12.108 -10.647 164 HD2 PHE 21 HD2 PHE 21 12.028 10.713 -10.335 165 HE1 PHE 21 HE1 PHE 21 8.705 13.875 -12.231 166 HE2 PHE 21 HE2 PHE 21 12.759 12.479 -11.917 167 HZ PHE 21 HZ PHE 21 11.097 14.060 -12.866 168 H ARG 22 HN ARG 22 6.724 9.829 -7.656 169 HA ARG 22 HA ARG 22 7.611 8.252 -5.308 170 1HB ARG 22 2HB ARG 22 5.470 9.498 -5.284 171 2HB ARG 22 1HB ARG 22 4.913 8.544 -6.657 172 1HG ARG 22 2HG ARG 22 5.060 6.493 -5.349 173 2HG ARG 22 1HG ARG 22 5.736 7.382 -3.983 174 1HD ARG 22 2HD ARG 22 3.648 8.694 -3.792 175 2HD ARG 22 1HD ARG 22 2.961 7.794 -5.160 176 HE ARG 22 HE ARG 22 3.778 5.774 -3.500 177 1HH1 ARG 22 1HH1 ARG 22 1.950 8.669 -3.016 178 2HH1 ARG 22 2HH1 ARG 22 1.006 8.007 -1.725 179 1HH2 ARG 22 1HH2 ARG 22 2.549 4.905 -1.821 180 2HH2 ARG 22 2HH2 ARG 22 1.342 5.881 -1.050 181 H THR 23 HN THR 23 7.673 6.014 -5.326 182 HA THR 23 HA THR 23 7.422 4.661 -7.985 183 HB THR 23 HB THR 23 9.588 4.425 -5.867 184 HG1 THR 23 HG1 THR 23 10.689 5.267 -7.970 185 1HG2 THR 23 1HG2 THR 23 8.810 2.554 -7.753 186 2HG2 THR 23 2HG2 THR 23 10.405 2.649 -7.007 187 3HG2 THR 23 3HG2 THR 23 10.116 3.414 -8.569 188 H HIS 24 HN HIS 24 6.537 2.562 -7.875 189 HA HIS 24 HA HIS 24 6.029 1.489 -5.123 190 1HB HIS 24 2HB HIS 24 4.240 2.327 -7.265 191 2HB HIS 24 1HB HIS 24 3.916 0.679 -6.721 192 HD1 HIS 24 HD1 HIS 24 2.695 3.837 -5.983 193 HD2 HIS 24 HD2 HIS 24 4.370 0.903 -3.543 194 HE1 HIS 24 HE1 HIS 24 1.992 4.380 -3.608 195 H VAL 25 HN VAL 25 6.609 -0.625 -4.869 196 HA VAL 25 HA VAL 25 7.349 -2.172 -7.314 197 HB VAL 25 HB VAL 25 8.166 -2.692 -4.461 198 1HG1 VAL 25 1HG1 VAL 25 10.214 -3.230 -6.334 199 2HG1 VAL 25 2HG1 VAL 25 8.724 -3.861 -7.034 200 3HG1 VAL 25 3HG1 VAL 25 9.247 -4.402 -5.439 201 1HG2 VAL 25 1HG2 VAL 25 10.317 -1.414 -5.585 202 2HG2 VAL 25 2HG2 VAL 25 9.149 -0.637 -4.520 203 3HG2 VAL 25 3HG2 VAL 25 8.972 -0.503 -6.269 204 H VAL 26 HN VAL 26 6.269 -3.990 -7.757 205 HA VAL 26 HA VAL 26 4.353 -5.051 -5.710 206 HB VAL 26 HB VAL 26 2.970 -5.634 -7.641 207 1HG1 VAL 26 1HG1 VAL 26 3.916 -2.916 -7.120 208 2HG1 VAL 26 2HG1 VAL 26 2.270 -3.503 -7.354 209 3HG1 VAL 26 3HG1 VAL 26 3.271 -3.104 -8.750 210 1HG2 VAL 26 1HG2 VAL 26 3.780 -4.892 -9.937 211 2HG2 VAL 26 2HG2 VAL 26 4.626 -6.282 -9.257 212 3HG2 VAL 26 3HG2 VAL 26 5.377 -4.689 -9.219 213 H GLU 27 HN GLU 27 3.865 -7.444 -6.123 214 HA GLU 27 HA GLU 27 6.390 -8.937 -6.636 215 1HB GLU 27 2HB GLU 27 4.704 -8.883 -4.523 216 2HB GLU 27 1HB GLU 27 3.916 -10.118 -5.496 217 1HG GLU 27 2HG GLU 27 5.835 -11.519 -5.474 218 2HG GLU 27 1HG GLU 27 6.865 -10.223 -4.866 219 H LEU 28 HN LEU 28 6.459 -9.827 -8.670 220 HA LEU 28 HA LEU 28 4.031 -10.022 -10.273 221 1HB LEU 28 2HB LEU 28 6.582 -9.409 -10.768 222 2HB LEU 28 1HB LEU 28 6.683 -11.140 -11.080 223 HG LEU 28 HG LEU 28 4.914 -10.993 -12.748 224 1HD1 LEU 28 1HD1 LEU 28 4.413 -8.470 -11.376 225 2HD1 LEU 28 2HD1 LEU 28 3.345 -9.396 -12.430 226 3HD1 LEU 28 3HD1 LEU 28 4.495 -8.252 -13.124 227 1HD2 LEU 28 1HD2 LEU 28 5.994 -9.267 -14.312 228 2HD2 LEU 28 2HD2 LEU 28 7.060 -10.521 -13.683 229 3HD2 LEU 28 3HD2 LEU 28 7.093 -8.905 -12.981 230 HA PRO 29 HA PRO 29 3.190 -14.186 -8.952 231 1HB PRO 29 2HB PRO 29 1.336 -14.718 -10.922 232 2HB PRO 29 1HB PRO 29 0.974 -13.884 -9.402 233 1HG PRO 29 2HG PRO 29 1.412 -12.763 -12.112 234 2HG PRO 29 1HG PRO 29 0.327 -12.219 -10.824 235 1HD PRO 29 2HD PRO 29 2.668 -10.982 -11.422 236 2HD PRO 29 1HD PRO 29 1.960 -10.990 -9.791 237 H ASP 30 HN ASP 30 2.989 -16.380 -10.204 238 HA ASP 30 HA ASP 30 5.459 -16.904 -11.468 239 1HB ASP 30 2HB ASP 30 2.798 -18.345 -11.403 240 2HB ASP 30 1HB ASP 30 4.262 -19.076 -12.063 241 H HIS 31 HN HIS 31 2.251 -16.314 -12.948 242 HA HIS 31 HA HIS 31 3.373 -16.831 -15.617 243 1HB HIS 31 2HB HIS 31 1.054 -16.640 -16.321 244 2HB HIS 31 1HB HIS 31 1.120 -17.598 -14.848 245 HD1 HIS 31 HD1 HIS 31 1.652 -14.551 -13.372 246 HD2 HIS 31 HD2 HIS 31 -1.680 -16.091 -15.342 247 HE1 HIS 31 HE1 HIS 31 -0.344 -13.211 -12.569 248 H MET 32 HN MET 32 3.531 -14.207 -13.653 249 HA MET 32 HA MET 32 3.572 -12.345 -16.006 250 1HB MET 32 2HB MET 32 3.128 -11.871 -13.045 251 2HB MET 32 1HB MET 32 3.428 -10.564 -14.191 252 1HG MET 32 2HG MET 32 1.155 -12.566 -14.357 253 2HG MET 32 1HG MET 32 1.009 -10.883 -13.848 254 1HE MET 32 1HE MET 32 3.272 -9.597 -15.883 255 2HE MET 32 2HE MET 32 1.796 -8.919 -15.201 256 3HE MET 32 3HE MET 32 2.055 -8.874 -16.943 257 H LEU 33 HN LEU 33 5.405 -14.053 -13.683 258 HA LEU 33 HA LEU 33 7.656 -12.258 -13.392 259 1HB LEU 33 2HB LEU 33 7.039 -15.161 -12.947 260 2HB LEU 33 1HB LEU 33 8.712 -14.617 -12.842 261 HG LEU 33 HG LEU 33 6.467 -13.259 -11.332 262 1HD1 LEU 33 1HD1 LEU 33 8.251 -15.571 -10.536 263 2HD1 LEU 33 2HD1 LEU 33 6.489 -15.494 -10.479 264 3HD1 LEU 33 3HD1 LEU 33 7.451 -14.538 -9.351 265 1HD2 LEU 33 1HD2 LEU 33 8.239 -12.232 -10.102 266 2HD2 LEU 33 2HD2 LEU 33 8.709 -12.112 -11.798 267 3HD2 LEU 33 3HD2 LEU 33 9.438 -13.342 -10.766 268 H ASP 34 HN ASP 34 6.898 -14.926 -15.622 269 HA ASP 34 HA ASP 34 9.511 -14.788 -16.924 270 1HB ASP 34 2HB ASP 34 8.104 -16.835 -16.575 271 2HB ASP 34 1HB ASP 34 6.935 -16.176 -17.719 272 H GLY 35 HN GLY 35 9.968 -13.134 -18.334 273 1HA GLY 35 2HA GLY 35 9.494 -12.444 -20.684 274 2HA GLY 35 1HA GLY 35 7.796 -12.322 -20.227 275 H LEU 36 HN LEU 36 7.781 -10.854 -17.955 276 HA LEU 36 HA LEU 36 8.011 -8.224 -18.943 277 1HB LEU 36 2HB LEU 36 6.573 -9.059 -17.076 278 2HB LEU 36 1HB LEU 36 8.011 -9.159 -16.057 279 HG LEU 36 HG LEU 36 8.405 -6.741 -16.378 280 1HD1 LEU 36 1HD1 LEU 36 7.492 -5.816 -18.227 281 2HD1 LEU 36 2HD1 LEU 36 5.963 -5.798 -17.347 282 3HD1 LEU 36 3HD1 LEU 36 6.353 -7.149 -18.412 283 1HD2 LEU 36 1HD2 LEU 36 6.228 -5.966 -15.224 284 2HD2 LEU 36 2HD2 LEU 36 7.153 -7.236 -14.423 285 3HD2 LEU 36 3HD2 LEU 36 5.712 -7.648 -15.351 286 H GLU 37 HN GLU 37 9.477 -6.518 -18.462 287 HA GLU 37 HA GLU 37 11.988 -7.141 -17.015 288 1HB GLU 37 2HB GLU 37 13.321 -6.460 -18.998 289 2HB GLU 37 1HB GLU 37 12.324 -7.871 -19.354 290 1HG GLU 37 2HG GLU 37 10.620 -6.413 -20.384 291 2HG GLU 37 1HG GLU 37 11.618 -5.000 -20.031 292 H THR 38 HN THR 38 13.326 -5.029 -16.845 293 HA THR 38 HA THR 38 11.642 -2.887 -15.939 294 HB THR 38 HB THR 38 14.159 -1.826 -16.358 295 HG1 THR 38 HG1 THR 38 15.373 -3.448 -16.860 296 1HG2 THR 38 1HG2 THR 38 14.414 -3.123 -13.956 297 2HG2 THR 38 2HG2 THR 38 12.664 -3.111 -14.178 298 3HG2 THR 38 3HG2 THR 38 13.565 -1.594 -14.186 299 H GLY 39 HN GLY 39 11.357 -0.767 -16.908 300 1HA GLY 39 2HA GLY 39 11.232 0.792 -18.690 301 2HA GLY 39 1HA GLY 39 12.218 -0.291 -19.669 302 H ALA 40 HN ALA 40 9.977 -2.289 -18.434 303 HA ALA 40 HA ALA 40 8.365 -2.363 -20.876 304 1HB ALA 40 1HB ALA 40 7.194 -4.142 -19.366 305 2HB ALA 40 2HB ALA 40 8.514 -3.820 -18.239 306 3HB ALA 40 3HB ALA 40 8.863 -4.439 -19.855 307 H SER 41 HN SER 41 5.991 -2.028 -20.867 308 HA SER 41 HA SER 41 5.174 0.019 -18.858 309 1HB SER 41 2HB SER 41 3.229 -0.125 -20.773 310 2HB SER 41 1HB SER 41 4.632 0.927 -20.866 311 HG SER 41 HG SER 41 5.604 -0.456 -22.213 312 H VAL 42 HN VAL 42 4.259 -1.001 -17.105 313 HA VAL 42 HA VAL 42 2.407 -3.290 -17.533 314 HB VAL 42 HB VAL 42 3.958 -2.089 -15.271 315 1HG1 VAL 42 1HG1 VAL 42 2.143 -2.091 -13.914 316 2HG1 VAL 42 2HG1 VAL 42 2.354 -3.842 -13.932 317 3HG1 VAL 42 3HG1 VAL 42 1.197 -3.081 -15.025 318 1HG2 VAL 42 1HG2 VAL 42 3.934 -4.474 -16.769 319 2HG2 VAL 42 2HG2 VAL 42 3.376 -4.903 -15.151 320 3HG2 VAL 42 3HG2 VAL 42 4.940 -4.109 -15.363 321 H ALA 43 HN ALA 43 0.242 -2.909 -17.578 322 HA ALA 43 HA ALA 43 -0.782 -0.229 -16.763 323 1HB ALA 43 1HB ALA 43 -2.817 -0.985 -17.904 324 2HB ALA 43 2HB ALA 43 -2.146 -2.607 -18.070 325 3HB ALA 43 3HB ALA 43 -1.427 -1.260 -18.953 326 H HIS 44 HN HIS 44 -1.426 -0.089 -14.658 327 HA HIS 44 HA HIS 44 -2.039 -2.551 -13.133 328 1HB HIS 44 2HB HIS 44 -1.435 0.330 -12.596 329 2HB HIS 44 1HB HIS 44 -2.385 -0.533 -11.386 330 HD1 HIS 44 HD1 HIS 44 0.334 -2.179 -13.448 331 HD2 HIS 44 HD2 HIS 44 -0.295 -0.868 -9.532 332 HE1 HIS 44 HE1 HIS 44 2.273 -3.061 -12.071 333 HE2 HIS 44 HE2 HIS 44 1.897 -2.264 -9.694 334 H ASN 45 HN ASN 45 -4.040 -3.255 -13.713 335 HA ASN 45 HA ASN 45 -6.356 -3.297 -14.057 336 1HB ASN 45 2HB ASN 45 -5.949 -1.880 -11.795 337 2HB ASN 45 1HB ASN 45 -6.705 -0.637 -12.792 338 1HD2 ASN 45 1HD2 ASN 45 -7.290 -3.570 -11.011 339 2HD2 ASN 45 2HD2 ASN 45 -8.930 -3.731 -11.401 340 H GLY 46 HN GLY 46 -4.269 -1.390 -15.610 341 1HA GLY 46 2HA GLY 46 -4.983 -0.971 -17.949 342 2HA GLY 46 1HA GLY 46 -6.428 -0.211 -17.295 343 H CYS 47 HN CYS 47 -4.011 0.798 -15.257 344 HA CYS 47 HA CYS 47 -3.654 3.326 -16.798 345 1HB CYS 47 2HB CYS 47 -4.348 3.366 -14.405 346 2HB CYS 47 1HB CYS 47 -2.850 2.545 -13.968 347 HG CYS 47 HG CYS 47 -3.070 5.492 -14.907 348 H CYS 48 HN CYS 48 -1.985 3.144 -18.252 349 HA CYS 48 HA CYS 48 0.082 1.169 -17.977 350 1HB CYS 48 2HB CYS 48 0.946 2.330 -20.041 351 2HB CYS 48 1HB CYS 48 -0.763 1.899 -20.131 352 HG CYS 48 HG CYS 48 -0.813 4.618 -19.084 353 H LEU 49 HN LEU 49 2.003 1.322 -16.948 354 HA LEU 49 HA LEU 49 3.383 3.925 -16.817 355 1HB LEU 49 2HB LEU 49 3.798 3.470 -14.328 356 2HB LEU 49 1HB LEU 49 2.153 3.942 -14.756 357 HG LEU 49 HG LEU 49 2.592 1.050 -14.940 358 1HD1 LEU 49 1HD1 LEU 49 3.698 2.454 -12.689 359 2HD1 LEU 49 2HD1 LEU 49 3.643 0.713 -12.979 360 3HD1 LEU 49 3HD1 LEU 49 2.305 1.513 -12.151 361 1HD2 LEU 49 1HD2 LEU 49 0.458 2.745 -14.706 362 2HD2 LEU 49 2HD2 LEU 49 0.646 2.222 -13.033 363 3HD2 LEU 49 3HD2 LEU 49 0.389 1.028 -14.306 364 H THR 50 HN THR 50 5.709 3.612 -16.400 365 HA THR 50 HA THR 50 6.545 1.024 -17.549 366 HB THR 50 HB THR 50 8.137 3.546 -17.018 367 HG1 THR 50 HG1 THR 50 6.527 2.765 -19.215 368 1HG2 THR 50 1HG2 THR 50 9.461 1.529 -17.558 369 2HG2 THR 50 2HG2 THR 50 9.527 2.701 -18.872 370 3HG2 THR 50 3HG2 THR 50 8.488 1.283 -19.008 371 H VAL 51 HN VAL 51 8.438 -0.105 -16.760 372 HA VAL 51 HA VAL 51 8.465 -0.361 -13.842 373 HB VAL 51 HB VAL 51 10.138 -1.714 -15.986 374 1HG1 VAL 51 1HG1 VAL 51 10.067 -3.585 -14.286 375 2HG1 VAL 51 2HG1 VAL 51 9.391 -2.421 -13.148 376 3HG1 VAL 51 3HG1 VAL 51 11.007 -2.173 -13.806 377 1HG2 VAL 51 1HG2 VAL 51 7.807 -3.137 -14.933 378 2HG2 VAL 51 2HG2 VAL 51 8.372 -2.959 -16.594 379 3HG2 VAL 51 3HG2 VAL 51 7.390 -1.695 -15.858 380 H THR 52 HN THR 52 9.757 0.973 -12.639 381 HA THR 52 HA THR 52 12.119 2.344 -13.657 382 HB THR 52 HB THR 52 12.336 3.022 -11.331 383 HG1 THR 52 HG1 THR 52 11.136 1.989 -9.739 384 1HG2 THR 52 1HG2 THR 52 9.559 2.858 -12.456 385 2HG2 THR 52 2HG2 THR 52 10.608 4.264 -12.266 386 3HG2 THR 52 3HG2 THR 52 9.817 3.557 -10.857 387 H GLU 53 HN GLU 53 11.465 -0.570 -11.718 388 HA GLU 53 HA GLU 53 14.138 -1.653 -12.405 389 1HB GLU 53 2HB GLU 53 14.541 -0.068 -10.562 390 2HB GLU 53 1HB GLU 53 13.318 -0.884 -9.587 391 1HG GLU 53 2HG GLU 53 14.635 -2.969 -9.671 392 2HG GLU 53 1HG GLU 53 15.861 -2.155 -10.644 393 H ILE 54 HN ILE 54 14.355 -3.873 -11.805 394 HA ILE 54 HA ILE 54 11.864 -5.197 -10.766 395 HB ILE 54 HB ILE 54 14.134 -6.254 -12.488 396 1HG1 ILE 54 2HG1 ILE 54 11.353 -6.329 -13.445 397 2HG1 ILE 54 1HG1 ILE 54 11.991 -4.700 -13.230 398 1HG2 ILE 54 1HG2 ILE 54 12.073 -7.552 -10.867 399 2HG2 ILE 54 2HG2 ILE 54 13.486 -8.258 -11.654 400 3HG2 ILE 54 3HG2 ILE 54 11.991 -8.028 -12.563 401 1HD1 ILE 54 1HD1 ILE 54 13.492 -4.922 -14.936 402 2HD1 ILE 54 2HD1 ILE 54 12.390 -6.189 -15.473 403 3HD1 ILE 54 3HD1 ILE 54 13.830 -6.609 -14.545 404 H ASN 55 HN ASN 55 12.070 -6.094 -8.804 405 HA ASN 55 HA ASN 55 14.806 -6.395 -7.631 406 1HB ASN 55 2HB ASN 55 12.026 -5.935 -6.572 407 2HB ASN 55 1HB ASN 55 13.256 -6.630 -5.515 408 1HD2 ASN 55 1HD2 ASN 55 12.332 -3.708 -7.287 409 2HD2 ASN 55 2HD2 ASN 55 13.499 -2.698 -6.583 410 H GLY 56 HN GLY 56 14.639 -8.383 -9.252 411 1HA GLY 56 2HA GLY 56 14.655 -10.761 -9.306 412 2HA GLY 56 1HA GLY 56 13.985 -10.775 -7.672 413 H ASN 57 HN ASN 57 11.868 -11.355 -7.522 414 HA ASN 57 HA ASN 57 10.225 -11.547 -9.949 415 1HB ASN 57 2HB ASN 57 9.124 -13.078 -8.686 416 2HB ASN 57 1HB ASN 57 10.416 -12.859 -7.529 417 1HD2 ASN 57 1HD2 ASN 57 7.347 -11.377 -8.462 418 2HD2 ASN 57 2HD2 ASN 57 6.864 -10.932 -6.897 419 H HIS 58 HN HIS 58 10.810 -9.270 -7.386 420 HA HIS 58 HA HIS 58 8.232 -7.928 -7.510 421 1HB HIS 58 2HB HIS 58 10.943 -7.450 -6.315 422 2HB HIS 58 1HB HIS 58 9.765 -6.140 -6.321 423 HD1 HIS 58 HD1 HIS 58 10.860 -8.361 -3.971 424 HD2 HIS 58 HD2 HIS 58 7.032 -7.676 -5.479 425 HE1 HIS 58 HE1 HIS 58 9.232 -9.200 -2.224 426 H VAL 59 HN VAL 59 7.960 -5.691 -8.304 427 HA VAL 59 HA VAL 59 10.016 -4.785 -10.245 428 HB VAL 59 HB VAL 59 7.105 -5.383 -10.832 429 1HG1 VAL 59 1HG1 VAL 59 7.582 -4.595 -13.097 430 2HG1 VAL 59 2HG1 VAL 59 9.238 -4.217 -12.631 431 3HG1 VAL 59 3HG1 VAL 59 7.900 -3.297 -11.945 432 1HG2 VAL 59 1HG2 VAL 59 8.522 -6.731 -12.666 433 2HG2 VAL 59 2HG2 VAL 59 8.180 -7.414 -11.076 434 3HG2 VAL 59 3HG2 VAL 59 9.746 -6.662 -11.394 435 H SER 60 HN SER 60 10.423 -2.744 -9.586 436 HA SER 60 HA SER 60 8.471 -1.070 -8.179 437 1HB SER 60 2HB SER 60 11.210 -0.414 -9.295 438 2HB SER 60 1HB SER 60 10.369 0.419 -7.992 439 HG SER 60 HG SER 60 11.536 -2.148 -8.030 440 H PHE 61 HN PHE 61 7.124 0.412 -9.233 441 HA PHE 61 HA PHE 61 7.771 1.055 -12.087 442 1HB PHE 61 2HB PHE 61 5.152 0.856 -10.563 443 2HB PHE 61 1HB PHE 61 5.275 1.448 -12.219 444 HD1 PHE 61 HD1 PHE 61 5.485 -1.495 -10.032 445 HD2 PHE 61 HD2 PHE 61 5.921 -0.051 -14.058 446 HE1 PHE 61 HE1 PHE 61 5.454 -3.830 -10.875 447 HE2 PHE 61 HE2 PHE 61 5.891 -2.386 -14.899 448 HZ PHE 61 HZ PHE 61 5.656 -4.275 -13.307 449 H ASP 62 HN ASP 62 7.196 3.291 -12.753 450 HA ASP 62 HA ASP 62 7.802 5.201 -10.552 451 1HB ASP 62 2HB ASP 62 8.411 6.678 -12.369 452 2HB ASP 62 1HB ASP 62 9.033 5.080 -12.766 453 H LEU 63 HN LEU 63 6.549 6.972 -10.054 454 HA LEU 63 HA LEU 63 3.920 7.381 -11.343 455 1HB LEU 63 2HB LEU 63 4.446 5.638 -9.116 456 2HB LEU 63 1HB LEU 63 3.466 6.985 -8.562 457 HG LEU 63 HG LEU 63 2.509 6.045 -11.124 458 1HD1 LEU 63 1HD1 LEU 63 2.012 3.940 -9.107 459 2HD1 LEU 63 2HD1 LEU 63 3.662 3.985 -9.737 460 3HD1 LEU 63 3HD1 LEU 63 2.297 3.792 -10.842 461 1HD2 LEU 63 1HD2 LEU 63 0.434 6.281 -10.091 462 2HD2 LEU 63 2HD2 LEU 63 1.414 7.292 -9.026 463 3HD2 LEU 63 3HD2 LEU 63 1.018 5.641 -8.553 464 H MET 64 HN MET 64 3.887 9.630 -11.415 465 HA MET 64 HA MET 64 5.421 11.257 -9.539 466 1HB MET 64 2HB MET 64 4.920 11.776 -11.956 467 2HB MET 64 1HB MET 64 3.239 12.049 -11.494 468 1HG MET 64 2HG MET 64 3.949 13.811 -9.922 469 2HG MET 64 1HG MET 64 5.632 13.540 -10.374 470 1HE MET 64 1HE MET 64 6.251 15.023 -13.614 471 2HE MET 64 2HE MET 64 5.817 13.317 -13.557 472 3HE MET 64 3HE MET 64 6.732 14.030 -12.231 473 H LYS 65 HN LYS 65 4.565 12.543 -7.832 474 HA LYS 65 HA LYS 65 2.428 11.461 -6.322 475 1HB LYS 65 2HB LYS 65 4.261 12.864 -5.450 476 2HB LYS 65 1HB LYS 65 3.624 14.252 -6.333 477 1HG LYS 65 2HG LYS 65 1.585 14.227 -5.030 478 2HG LYS 65 1HG LYS 65 2.048 12.714 -4.253 479 1HD LYS 65 2HD LYS 65 2.587 14.410 -2.673 480 2HD LYS 65 1HD LYS 65 4.125 13.963 -3.413 481 1HE LYS 65 2HE LYS 65 4.073 15.904 -4.864 482 2HE LYS 65 1HE LYS 65 2.424 16.301 -4.346 483 1HZ LYS 65 1HZ LYS 65 3.167 16.635 -2.124 484 2HZ LYS 65 2HZ LYS 65 4.197 17.538 -3.129 485 3HZ LYS 65 3HZ LYS 65 4.721 16.057 -2.481 486 H GLU 66 HN GLU 66 2.454 14.441 -8.340 487 HA GLU 66 HA GLU 66 -0.335 15.036 -7.975 488 1HB GLU 66 2HB GLU 66 1.377 16.623 -8.799 489 2HB GLU 66 1HB GLU 66 1.579 15.649 -10.257 490 1HG GLU 66 2HG GLU 66 -0.787 16.034 -10.848 491 2HG GLU 66 1HG GLU 66 -0.990 17.011 -9.393 492 H THR 67 HN THR 67 1.398 13.167 -10.489 493 HA THR 67 HA THR 67 -0.906 12.478 -12.065 494 HB THR 67 HB THR 67 1.682 11.013 -11.459 495 HG1 THR 67 HG1 THR 67 2.423 12.045 -13.248 496 1HG2 THR 67 1HG2 THR 67 0.734 10.371 -14.029 497 2HG2 THR 67 2HG2 THR 67 -0.662 10.235 -12.960 498 3HG2 THR 67 3HG2 THR 67 0.796 9.308 -12.623 499 H LEU 68 HN LEU 68 0.580 11.018 -9.199 500 HA LEU 68 HA LEU 68 -1.034 8.692 -8.973 501 1HB LEU 68 2HB LEU 68 1.072 9.205 -7.769 502 2HB LEU 68 1HB LEU 68 0.256 10.503 -6.901 503 HG LEU 68 HG LEU 68 -1.428 8.624 -6.203 504 1HD1 LEU 68 1HD1 LEU 68 -0.724 6.780 -7.499 505 2HD1 LEU 68 2HD1 LEU 68 -0.010 6.456 -5.919 506 3HD1 LEU 68 3HD1 LEU 68 0.982 7.119 -7.214 507 1HD2 LEU 68 1HD2 LEU 68 1.129 9.554 -5.163 508 2HD2 LEU 68 2HD2 LEU 68 0.742 7.934 -4.579 509 3HD2 LEU 68 3HD2 LEU 68 -0.383 9.264 -4.302 510 H ARG 69 HN ARG 69 -1.438 11.996 -7.718 511 HA ARG 69 HA ARG 69 -3.959 11.543 -6.381 512 1HB ARG 69 2HB ARG 69 -2.480 13.973 -7.430 513 2HB ARG 69 1HB ARG 69 -3.940 14.083 -6.452 514 1HG ARG 69 2HG ARG 69 -1.461 12.579 -5.577 515 2HG ARG 69 1HG ARG 69 -1.785 14.256 -5.139 516 1HD ARG 69 2HD ARG 69 -3.775 12.038 -4.586 517 2HD ARG 69 1HD ARG 69 -2.533 12.523 -3.415 518 HE ARG 69 HE ARG 69 -3.997 14.797 -4.494 519 1HH1 ARG 69 1HH1 ARG 69 -3.956 12.255 -2.152 520 2HH1 ARG 69 2HH1 ARG 69 -4.982 13.093 -1.038 521 1HH2 ARG 69 1HH2 ARG 69 -5.336 15.895 -3.047 522 2HH2 ARG 69 2HH2 ARG 69 -5.762 15.149 -1.543 523 H ILE 70 HN ILE 70 -3.057 12.761 -9.602 524 HA ILE 70 HA ILE 70 -5.654 13.574 -10.431 525 HB ILE 70 HB ILE 70 -3.057 13.720 -11.285 526 1HG1 ILE 70 2HG1 ILE 70 -5.511 14.227 -12.981 527 2HG1 ILE 70 1HG1 ILE 70 -4.913 15.303 -11.718 528 1HG2 ILE 70 1HG2 ILE 70 -3.102 12.783 -13.641 529 2HG2 ILE 70 2HG2 ILE 70 -4.508 11.836 -13.153 530 3HG2 ILE 70 3HG2 ILE 70 -2.952 11.580 -12.361 531 1HD1 ILE 70 1HD1 ILE 70 -3.584 14.575 -14.330 532 2HD1 ILE 70 2HD1 ILE 70 -2.677 15.281 -12.992 533 3HD1 ILE 70 3HD1 ILE 70 -4.004 16.179 -13.730 534 H THR 71 HN THR 71 -3.837 10.578 -10.877 535 HA THR 71 HA THR 71 -6.070 9.219 -12.211 536 HB THR 71 HB THR 71 -4.470 7.397 -12.344 537 HG1 THR 71 HG1 THR 71 -3.348 8.792 -10.212 538 1HG2 THR 71 1HG2 THR 71 -2.573 9.665 -12.578 539 2HG2 THR 71 2HG2 THR 71 -4.067 9.795 -13.503 540 3HG2 THR 71 3HG2 THR 71 -2.991 8.417 -13.748 541 H ASN 72 HN ASN 72 -6.123 6.782 -11.139 542 HA ASN 72 HA ASN 72 -6.835 7.153 -8.262 543 1HB ASN 72 2HB ASN 72 -8.724 6.333 -9.346 544 2HB ASN 72 1HB ASN 72 -7.778 5.489 -10.563 545 1HD2 ASN 72 1HD2 ASN 72 -8.690 3.425 -10.322 546 2HD2 ASN 72 2HD2 ASN 72 -8.582 2.515 -8.893 547 H LEU 73 HN LEU 73 -4.135 6.736 -9.723 548 HA LEU 73 HA LEU 73 -3.138 4.121 -8.973 549 1HB LEU 73 2HB LEU 73 -1.891 6.842 -9.472 550 2HB LEU 73 1HB LEU 73 -0.945 5.376 -9.221 551 HG LEU 73 HG LEU 73 -3.060 5.647 -11.383 552 1HD1 LEU 73 1HD1 LEU 73 -1.512 6.492 -12.822 553 2HD1 LEU 73 2HD1 LEU 73 -0.198 5.551 -12.117 554 3HD1 LEU 73 3HD1 LEU 73 -0.719 7.050 -11.349 555 1HD2 LEU 73 1HD2 LEU 73 -1.081 3.743 -12.013 556 2HD2 LEU 73 2HD2 LEU 73 -2.743 3.417 -11.524 557 3HD2 LEU 73 3HD2 LEU 73 -1.463 3.475 -10.312 558 H GLY 74 HN GLY 74 -3.261 7.309 -7.367 559 1HA GLY 74 2HA GLY 74 -1.665 6.856 -5.154 560 2HA GLY 74 1HA GLY 74 -3.106 7.859 -5.098 561 H ASP 75 HN ASP 75 -4.775 5.438 -5.844 562 HA ASP 75 HA ASP 75 -5.590 4.800 -3.189 563 1HB ASP 75 2HB ASP 75 -7.158 3.353 -4.319 564 2HB ASP 75 1HB ASP 75 -6.897 4.752 -5.361 565 H LEU 76 HN LEU 76 -3.095 3.444 -5.152 566 HA LEU 76 HA LEU 76 -3.090 0.735 -4.325 567 1HB LEU 76 2HB LEU 76 -0.821 2.619 -4.983 568 2HB LEU 76 1HB LEU 76 -0.672 0.868 -4.927 569 HG LEU 76 HG LEU 76 -2.610 2.361 -6.715 570 1HD1 LEU 76 1HD1 LEU 76 0.190 2.003 -6.987 571 2HD1 LEU 76 2HD1 LEU 76 -0.941 2.577 -8.212 572 3HD1 LEU 76 3HD1 LEU 76 -0.572 0.857 -8.091 573 1HD2 LEU 76 1HD2 LEU 76 -1.949 -0.335 -7.494 574 2HD2 LEU 76 2HD2 LEU 76 -3.527 0.334 -7.079 575 3HD2 LEU 76 3HD2 LEU 76 -2.491 -0.329 -5.814 576 H LYS 77 HN LYS 77 -2.320 -0.299 -2.558 577 HA LYS 77 HA LYS 77 -0.731 1.180 -0.530 578 1HB LYS 77 2HB LYS 77 -3.342 -0.280 -0.002 579 2HB LYS 77 1HB LYS 77 -2.303 0.420 1.242 580 1HG LYS 77 2HG LYS 77 -2.578 2.649 0.221 581 2HG LYS 77 1HG LYS 77 -3.618 1.954 -1.020 582 1HD LYS 77 2HD LYS 77 -5.212 1.228 0.719 583 2HD LYS 77 1HD LYS 77 -4.173 1.927 1.960 584 1HE LYS 77 2HE LYS 77 -4.968 4.020 1.565 585 2HE LYS 77 1HE LYS 77 -4.774 3.831 -0.188 586 1HZ LYS 77 1HZ LYS 77 -6.955 2.643 1.445 587 2HZ LYS 77 2HZ LYS 77 -6.757 2.454 -0.231 588 3HZ LYS 77 3HZ LYS 77 -7.118 3.982 0.418 589 H VAL 78 HN VAL 78 0.755 -0.194 0.478 590 HA VAL 78 HA VAL 78 1.421 -2.604 -0.832 591 HB VAL 78 HB VAL 78 2.121 -1.803 2.007 592 1HG1 VAL 78 1HG1 VAL 78 4.244 -2.888 0.355 593 2HG1 VAL 78 2HG1 VAL 78 2.860 -3.997 0.390 594 3HG1 VAL 78 3HG1 VAL 78 3.621 -3.485 1.898 595 1HG2 VAL 78 1HG2 VAL 78 4.008 -1.039 -0.052 596 2HG2 VAL 78 2HG2 VAL 78 3.247 -0.036 1.185 597 3HG2 VAL 78 3HG2 VAL 78 2.430 -0.314 -0.353 598 H GLY 79 HN GLY 79 1.214 -4.780 -0.209 599 1HA GLY 79 2HA GLY 79 0.335 -6.608 1.056 600 2HA GLY 79 1HA GLY 79 -0.579 -5.457 2.036 601 H ASP 80 HN ASP 80 -1.204 -4.177 -0.776 602 HA ASP 80 HA ASP 80 -3.646 -5.818 -1.269 603 1HB ASP 80 2HB ASP 80 -3.547 -3.258 -0.920 604 2HB ASP 80 1HB ASP 80 -2.828 -3.191 -2.528 605 H TRP 81 HN TRP 81 -4.173 -6.063 -3.710 606 HA TRP 81 HA TRP 81 -1.637 -6.544 -5.243 607 1HB TRP 81 2HB TRP 81 -4.269 -8.032 -5.130 608 2HB TRP 81 1HB TRP 81 -3.118 -8.275 -6.439 609 HD1 TRP 81 HD1 TRP 81 -2.685 -7.985 -2.597 610 HE1 TRP 81 HE1 TRP 81 -1.194 -9.934 -1.819 611 HE3 TRP 81 HE3 TRP 81 -1.934 -10.359 -7.059 612 HZ2 TRP 81 HZ2 TRP 81 0.134 -12.209 -2.934 613 HZ3 TRP 81 HZ3 TRP 81 -0.551 -12.416 -7.173 614 HH2 TRP 81 HH2 TRP 81 0.484 -13.339 -5.115 615 H VAL 82 HN VAL 82 -2.044 -6.409 -7.658 616 HA VAL 82 HA VAL 82 -4.120 -4.384 -8.355 617 HB VAL 82 HB VAL 82 -2.087 -3.164 -8.236 618 1HG1 VAL 82 1HG1 VAL 82 -0.136 -4.372 -9.727 619 2HG1 VAL 82 2HG1 VAL 82 -0.938 -5.767 -9.005 620 3HG1 VAL 82 3HG1 VAL 82 -0.267 -4.504 -7.972 621 1HG2 VAL 82 1HG2 VAL 82 -2.052 -2.330 -10.347 622 2HG2 VAL 82 2HG2 VAL 82 -3.288 -3.539 -10.690 623 3HG2 VAL 82 3HG2 VAL 82 -1.592 -3.887 -11.039 624 H ASN 83 HN ASN 83 -4.885 -4.561 -10.539 625 HA ASN 83 HA ASN 83 -4.548 -7.192 -11.841 626 1HB ASN 83 2HB ASN 83 -6.318 -4.860 -11.915 627 2HB ASN 83 1HB ASN 83 -5.925 -5.439 -13.525 628 1HD2 ASN 83 1HD2 ASN 83 -8.325 -6.086 -13.505 629 2HD2 ASN 83 2HD2 ASN 83 -8.723 -7.592 -12.831 630 H VAL 84 HN VAL 84 -2.496 -7.355 -12.778 631 HA VAL 84 HA VAL 84 -1.442 -4.922 -14.135 632 HB VAL 84 HB VAL 84 0.697 -6.518 -14.073 633 1HG1 VAL 84 1HG1 VAL 84 -0.352 -5.186 -11.566 634 2HG1 VAL 84 2HG1 VAL 84 0.271 -4.294 -12.955 635 3HG1 VAL 84 3HG1 VAL 84 1.332 -5.381 -12.056 636 1HG2 VAL 84 1HG2 VAL 84 -0.797 -8.381 -13.082 637 2HG2 VAL 84 2HG2 VAL 84 -0.777 -7.426 -11.599 638 3HG2 VAL 84 3HG2 VAL 84 0.732 -8.051 -12.265 639 H GLU 85 HN GLU 85 -0.905 -4.877 -16.231 640 HA GLU 85 HA GLU 85 -1.282 -7.381 -17.859 641 1HB GLU 85 2HB GLU 85 -3.256 -5.900 -17.965 642 2HB GLU 85 1HB GLU 85 -2.225 -4.553 -18.450 643 1HG GLU 85 2HG GLU 85 -1.552 -5.794 -20.475 644 2HG GLU 85 1HG GLU 85 -2.586 -7.139 -19.995 645 H ARG 86 HN ARG 86 0.221 -7.620 -19.543 646 HA ARG 86 HA ARG 86 2.632 -5.967 -19.402 647 1HB ARG 86 2HB ARG 86 2.642 -8.422 -19.687 648 2HB ARG 86 1HB ARG 86 1.780 -8.248 -21.216 649 1HG ARG 86 2HG ARG 86 3.690 -6.827 -22.044 650 2HG ARG 86 1HG ARG 86 4.564 -7.244 -20.569 651 1HD ARG 86 2HD ARG 86 3.448 -9.336 -22.465 652 2HD ARG 86 1HD ARG 86 5.115 -8.734 -22.548 653 HE ARG 86 HE ARG 86 4.660 -9.396 -19.852 654 1HH1 ARG 86 1HH1 ARG 86 4.683 -10.939 -22.946 655 2HH1 ARG 86 2HH1 ARG 86 5.163 -12.479 -22.314 656 1HH2 ARG 86 1HH2 ARG 86 5.283 -11.400 -19.024 657 2HH2 ARG 86 2HH2 ARG 86 5.502 -12.740 -20.100 658 H ALA 87 HN ALA 87 2.847 -4.099 -20.569 659 HA ALA 87 HA ALA 87 1.421 -3.899 -23.198 660 1HB ALA 87 1HB ALA 87 0.945 -2.370 -21.059 661 2HB ALA 87 2HB ALA 87 0.918 -1.704 -22.692 662 3HB ALA 87 3HB ALA 87 2.346 -1.498 -21.682 663 H ALA 88 HN ALA 88 2.642 -3.186 -24.941 664 HA ALA 88 HA ALA 88 5.584 -2.840 -24.461 665 1HB ALA 88 1HB ALA 88 5.860 -4.687 -25.729 666 2HB ALA 88 2HB ALA 88 4.956 -3.938 -27.045 667 3HB ALA 88 3HB ALA 88 4.107 -4.863 -25.808 668 H LYS 89 HN LYS 89 6.591 -1.229 -25.647 669 HA LYS 89 HA LYS 89 5.092 0.954 -26.697 670 1HB LYS 89 2HB LYS 89 7.954 0.058 -27.174 671 2HB LYS 89 1HB LYS 89 7.334 1.684 -27.470 672 1HG LYS 89 2HG LYS 89 7.459 0.255 -24.799 673 2HG LYS 89 1HG LYS 89 8.413 1.654 -25.290 674 1HD LYS 89 2HD LYS 89 6.255 2.920 -25.597 675 2HD LYS 89 1HD LYS 89 5.414 1.542 -24.884 676 1HE LYS 89 2HE LYS 89 5.780 2.956 -23.023 677 2HE LYS 89 1HE LYS 89 7.151 1.834 -22.929 678 1HZ LYS 89 1HZ LYS 89 7.699 4.299 -22.866 679 2HZ LYS 89 2HZ LYS 89 7.275 4.332 -24.511 680 3HZ LYS 89 3HZ LYS 89 8.561 3.356 -23.981 681 H PHE 90 HN PHE 90 6.633 -1.829 -28.303 682 HA PHE 90 HA PHE 90 5.152 -1.091 -30.807 683 1HB PHE 90 2HB PHE 90 7.188 -1.788 -32.031 684 2HB PHE 90 1HB PHE 90 7.544 -0.477 -30.908 685 HD1 PHE 90 HD1 PHE 90 8.529 -1.039 -28.630 686 HD2 PHE 90 HD2 PHE 90 8.250 -3.905 -31.824 687 HE1 PHE 90 HE1 PHE 90 10.217 -2.465 -27.499 688 HE2 PHE 90 HE2 PHE 90 9.937 -5.330 -30.692 689 HZ PHE 90 HZ PHE 90 10.920 -4.611 -28.529 690 H SER 91 HN SER 91 4.640 -2.950 -32.167 691 HA SER 91 HA SER 91 4.065 -5.374 -30.596 692 1HB SER 91 2HB SER 91 2.802 -5.961 -32.640 693 2HB SER 91 1HB SER 91 2.433 -4.318 -32.123 694 HG SER 91 HG SER 91 2.897 -4.525 -34.392 695 H ASP 92 HN ASP 92 4.737 -7.529 -31.330 696 HA ASP 92 HA ASP 92 7.509 -7.673 -32.153 697 1HB ASP 92 2HB ASP 92 5.263 -9.677 -31.790 698 2HB ASP 92 1HB ASP 92 6.921 -10.152 -32.161 699 H GLU 93 HN GLU 93 4.509 -8.848 -33.722 700 HA GLU 93 HA GLU 93 5.693 -8.323 -36.406 701 1HB GLU 93 2HB GLU 93 5.050 -11.031 -35.209 702 2HB GLU 93 1HB GLU 93 5.282 -10.782 -36.938 703 1HG GLU 93 2HG GLU 93 7.551 -9.902 -36.505 704 2HG GLU 93 1HG GLU 93 7.318 -10.161 -34.777 705 H ILE 94 HN ILE 94 3.514 -6.931 -35.738 706 HA ILE 94 HA ILE 94 0.964 -8.221 -36.209 707 HB ILE 94 HB ILE 94 2.000 -5.393 -36.586 708 1HG1 ILE 94 2HG1 ILE 94 1.994 -6.394 -34.264 709 2HG1 ILE 94 1HG1 ILE 94 0.979 -4.962 -34.439 710 1HG2 ILE 94 1HG2 ILE 94 -0.853 -5.622 -36.146 711 2HG2 ILE 94 2HG2 ILE 94 -0.380 -6.521 -37.587 712 3HG2 ILE 94 3HG2 ILE 94 0.006 -4.806 -37.451 713 1HD1 ILE 94 1HD1 ILE 94 -0.225 -7.676 -34.887 714 2HD1 ILE 94 2HD1 ILE 94 -1.001 -6.189 -34.344 715 3HD1 ILE 94 3HD1 ILE 94 0.024 -7.104 -33.238 716 H GLY 95 HN GLY 95 3.380 -6.661 -38.303 717 1HA GLY 95 2HA GLY 95 3.808 -7.449 -40.558 718 2HA GLY 95 1HA GLY 95 2.156 -8.067 -40.621 719 H GLY 96 HN GLY 96 0.677 -5.879 -39.824 720 1HA GLY 96 2HA GLY 96 -0.162 -3.814 -40.571 721 2HA GLY 96 1HA GLY 96 1.470 -3.429 -41.124 722 H HIS 97 HN HIS 97 0.546 -2.535 -43.090 723 HA HIS 97 HA HIS 97 0.199 -4.581 -45.185 724 1HB HIS 97 2HB HIS 97 -2.023 -3.786 -45.815 725 2HB HIS 97 1HB HIS 97 -2.044 -4.240 -44.111 726 HD1 HIS 97 HD1 HIS 97 -2.503 -2.413 -42.405 727 HD2 HIS 97 HD2 HIS 97 -1.961 -0.907 -46.254 728 HE1 HIS 97 HE1 HIS 97 -3.125 0.041 -42.308 729 1H MET 1 1HT MET 1 0.734 0.969 -27.202 730 2H MET 1 2HT MET 1 0.706 2.094 -28.472 731 3H MET 1 3HT MET 1 1.533 0.622 -28.657 732 HA MET 1 HA MET 1 -1.049 1.123 -29.438 733 1HB MET 1 2HB MET 1 0.524 -1.373 -28.812 734 2HB MET 1 1HB MET 1 -0.967 -1.386 -29.752 735 1HG MET 1 2HG MET 1 0.060 0.149 -31.398 736 2HG MET 1 1HG MET 1 1.554 0.150 -30.463 737 1HE MET 1 1HE MET 1 -0.314 -2.967 -33.116 738 2HE MET 1 2HE MET 1 -1.055 -1.613 -32.267 739 3HE MET 1 3HE MET 1 -0.841 -3.153 -31.438 740 H PHE 2 HN PHE 2 -0.907 1.711 -26.690 741 HA PHE 2 HA PHE 2 -3.355 0.552 -25.727 742 1HB PHE 2 2HB PHE 2 -2.425 -0.804 -23.931 743 2HB PHE 2 1HB PHE 2 -1.714 -1.345 -25.451 744 HD1 PHE 2 HD1 PHE 2 -1.119 0.965 -22.565 745 HD2 PHE 2 HD2 PHE 2 0.633 -1.366 -25.725 746 HE1 PHE 2 HE1 PHE 2 1.143 1.462 -21.678 747 HE2 PHE 2 HE2 PHE 2 2.897 -0.866 -24.834 748 HZ PHE 2 HZ PHE 2 3.150 0.550 -22.813 749 H THR 3 HN THR 3 -3.986 1.617 -23.705 750 HA THR 3 HA THR 3 -2.055 3.510 -22.529 751 HB THR 3 HB THR 3 -3.642 5.388 -22.984 752 HG1 THR 3 HG1 THR 3 -5.107 4.575 -24.873 753 1HG2 THR 3 1HG2 THR 3 -2.882 3.903 -25.518 754 2HG2 THR 3 2HG2 THR 3 -1.738 4.808 -24.527 755 3HG2 THR 3 3HG2 THR 3 -3.073 5.646 -25.313 756 H GLY 4 HN GLY 4 -5.373 2.241 -22.651 757 1HA GLY 4 2HA GLY 4 -6.992 2.041 -20.966 758 2HA GLY 4 1HA GLY 4 -5.645 1.496 -19.963 759 H ILE 5 HN ILE 5 -5.532 4.669 -21.404 760 HA ILE 5 HA ILE 5 -5.197 5.853 -18.761 761 HB ILE 5 HB ILE 5 -5.481 7.055 -21.535 762 1HG1 ILE 5 2HG1 ILE 5 -2.989 6.536 -19.888 763 2HG1 ILE 5 1HG1 ILE 5 -3.579 5.426 -21.124 764 1HG2 ILE 5 1HG2 ILE 5 -5.727 8.426 -19.205 765 2HG2 ILE 5 2HG2 ILE 5 -4.992 9.111 -20.654 766 3HG2 ILE 5 3HG2 ILE 5 -3.971 8.434 -19.382 767 1HD1 ILE 5 1HD1 ILE 5 -2.310 8.098 -21.428 768 2HD1 ILE 5 2HD1 ILE 5 -3.621 7.719 -22.545 769 3HD1 ILE 5 3HD1 ILE 5 -2.200 6.677 -22.467 770 H VAL 6 HN VAL 6 -6.664 7.031 -17.566 771 HA VAL 6 HA VAL 6 -9.493 6.854 -18.430 772 HB VAL 6 HB VAL 6 -7.921 7.036 -15.895 773 1HG1 VAL 6 1HG1 VAL 6 -10.049 7.525 -14.631 774 2HG1 VAL 6 2HG1 VAL 6 -10.793 7.977 -16.164 775 3HG1 VAL 6 3HG1 VAL 6 -9.427 8.903 -15.539 776 1HG2 VAL 6 1HG2 VAL 6 -8.621 4.888 -16.032 777 2HG2 VAL 6 2HG2 VAL 6 -9.843 5.282 -17.241 778 3HG2 VAL 6 3HG2 VAL 6 -10.194 5.507 -15.528 779 H GLN 7 HN GLN 7 -10.872 8.670 -18.495 780 HA GLN 7 HA GLN 7 -9.504 11.276 -18.871 781 1HB GLN 7 2HB GLN 7 -12.254 10.166 -19.484 782 2HB GLN 7 1HB GLN 7 -11.807 11.844 -19.793 783 1HG GLN 7 2HG GLN 7 -10.075 11.183 -21.328 784 2HG GLN 7 1HG GLN 7 -10.251 9.486 -20.881 785 1HE2 GLN 7 1HE2 GLN 7 -10.568 10.425 -23.602 786 2HE2 GLN 7 2HE2 GLN 7 -12.185 10.173 -24.050 787 H GLY 8 HN GLY 8 -11.620 9.652 -16.589 788 1HA GLY 8 2HA GLY 8 -11.736 12.178 -15.008 789 2HA GLY 8 1HA GLY 8 -13.250 11.366 -15.401 790 H THR 9 HN THR 9 -12.859 11.611 -12.781 791 HA THR 9 HA THR 9 -11.929 8.890 -11.929 792 HB THR 9 HB THR 9 -11.371 10.188 -9.748 793 HG1 THR 9 HG1 THR 9 -10.998 12.380 -11.405 794 1HG2 THR 9 1HG2 THR 9 -9.855 9.382 -11.813 795 2HG2 THR 9 2HG2 THR 9 -9.188 10.280 -10.450 796 3HG2 THR 9 3HG2 THR 9 -9.594 11.121 -11.945 797 H ALA 10 HN ALA 10 -12.970 8.204 -9.852 798 HA ALA 10 HA ALA 10 -15.725 9.348 -9.478 799 1HB ALA 10 1HB ALA 10 -14.839 6.778 -10.531 800 2HB ALA 10 2HB ALA 10 -16.473 7.444 -10.454 801 3HB ALA 10 3HB ALA 10 -15.817 6.563 -9.076 802 H LYS 11 HN LYS 11 -16.488 9.160 -7.317 803 HA LYS 11 HA LYS 11 -14.367 8.441 -5.325 804 1HB LYS 11 2HB LYS 11 -15.215 10.759 -5.347 805 2HB LYS 11 1HB LYS 11 -16.852 10.155 -5.128 806 1HG LYS 11 2HG LYS 11 -16.265 9.181 -2.977 807 2HG LYS 11 1HG LYS 11 -14.581 9.654 -3.191 808 1HD LYS 11 2HD LYS 11 -14.985 11.780 -2.535 809 2HD LYS 11 1HD LYS 11 -16.448 11.892 -3.517 810 1HE LYS 11 2HE LYS 11 -17.663 10.541 -1.783 811 2HE LYS 11 1HE LYS 11 -16.203 10.606 -0.773 812 1HZ LYS 11 1HZ LYS 11 -17.955 12.812 -1.637 813 2HZ LYS 11 2HZ LYS 11 -16.319 13.122 -1.300 814 3HZ LYS 11 3HZ LYS 11 -17.332 12.485 -0.094 815 H LEU 12 HN LEU 12 -14.708 6.436 -4.439 816 HA LEU 12 HA LEU 12 -17.201 4.993 -4.441 817 1HB LEU 12 2HB LEU 12 -14.705 4.294 -3.982 818 2HB LEU 12 1HB LEU 12 -15.061 4.780 -2.337 819 HG LEU 12 HG LEU 12 -16.852 3.172 -2.169 820 1HD1 LEU 12 1HD1 LEU 12 -17.993 2.998 -4.155 821 2HD1 LEU 12 2HD1 LEU 12 -16.938 1.601 -4.365 822 3HD1 LEU 12 3HD1 LEU 12 -16.527 3.138 -5.127 823 1HD2 LEU 12 1HD2 LEU 12 -15.284 1.614 -1.721 824 2HD2 LEU 12 2HD2 LEU 12 -14.137 2.460 -2.761 825 3HD2 LEU 12 3HD2 LEU 12 -15.194 1.222 -3.438 826 H VAL 13 HN VAL 13 -18.957 5.418 -3.229 827 HA VAL 13 HA VAL 13 -18.601 7.014 -0.720 828 HB VAL 13 HB VAL 13 -19.601 8.445 -2.294 829 1HG1 VAL 13 1HG1 VAL 13 -20.248 7.452 -4.212 830 2HG1 VAL 13 2HG1 VAL 13 -21.823 7.314 -3.422 831 3HG1 VAL 13 3HG1 VAL 13 -20.698 5.957 -3.388 832 1HG2 VAL 13 1HG2 VAL 13 -21.897 8.744 -1.529 833 2HG2 VAL 13 2HG2 VAL 13 -20.888 8.266 -0.164 834 3HG2 VAL 13 3HG2 VAL 13 -21.940 7.082 -0.941 835 H SER 14 HN SER 14 -20.280 4.428 -2.395 836 HA SER 14 HA SER 14 -21.157 3.359 0.254 837 1HB SER 14 2HB SER 14 -22.784 4.876 -1.292 838 2HB SER 14 1HB SER 14 -23.121 3.285 -1.964 839 HG SER 14 HG SER 14 -24.336 3.031 -0.275 840 H ILE 15 HN ILE 15 -21.208 1.108 0.311 841 HA ILE 15 HA ILE 15 -20.638 -0.331 -2.265 842 HB ILE 15 HB ILE 15 -20.261 -1.334 0.567 843 1HG1 ILE 15 2HG1 ILE 15 -18.350 0.115 -1.279 844 2HG1 ILE 15 1HG1 ILE 15 -18.894 0.625 0.318 845 1HG2 ILE 15 1HG2 ILE 15 -18.568 -2.794 -0.728 846 2HG2 ILE 15 2HG2 ILE 15 -19.386 -2.232 -2.186 847 3HG2 ILE 15 3HG2 ILE 15 -20.281 -3.147 -0.972 848 1HD1 ILE 15 1HD1 ILE 15 -16.869 -1.418 -0.421 849 2HD1 ILE 15 2HD1 ILE 15 -17.910 -1.810 0.946 850 3HD1 ILE 15 3HD1 ILE 15 -16.924 -0.349 0.978 851 H ASP 16 HN ASP 16 -22.231 -1.620 -3.008 852 HA ASP 16 HA ASP 16 -24.474 -2.357 -1.165 853 1HB ASP 16 2HB ASP 16 -24.167 -1.968 -4.134 854 2HB ASP 16 1HB ASP 16 -25.508 -2.924 -3.499 855 H GLU 17 HN GLU 17 -24.229 -4.409 -0.366 856 HA GLU 17 HA GLU 17 -22.646 -6.371 -1.967 857 1HB GLU 17 2HB GLU 17 -23.364 -6.088 0.965 858 2HB GLU 17 1HB GLU 17 -22.525 -7.497 0.316 859 1HG GLU 17 2HG GLU 17 -20.725 -6.038 -0.535 860 2HG GLU 17 1HG GLU 17 -21.560 -4.628 0.117 861 H LYS 18 HN LYS 18 -24.105 -7.484 -3.249 862 HA LYS 18 HA LYS 18 -26.666 -8.421 -2.028 863 1HB LYS 18 2HB LYS 18 -25.833 -8.719 -4.914 864 2HB LYS 18 1HB LYS 18 -27.454 -8.548 -4.250 865 1HG LYS 18 2HG LYS 18 -25.364 -6.349 -4.162 866 2HG LYS 18 1HG LYS 18 -26.602 -6.480 -5.413 867 1HD LYS 18 2HD LYS 18 -27.224 -6.351 -2.451 868 2HD LYS 18 1HD LYS 18 -27.223 -4.942 -3.512 869 1HE LYS 18 2HE LYS 18 -29.245 -5.490 -4.400 870 2HE LYS 18 1HE LYS 18 -28.784 -7.193 -4.586 871 1HZ LYS 18 1HZ LYS 18 -30.334 -7.298 -2.895 872 2HZ LYS 18 2HZ LYS 18 -29.858 -5.817 -2.212 873 3HZ LYS 18 3HZ LYS 18 -28.885 -7.197 -2.021 874 HA PRO 19 HA PRO 19 -24.807 -12.365 -1.289 875 1HB PRO 19 2HB PRO 19 -27.234 -13.782 -1.593 876 2HB PRO 19 1HB PRO 19 -26.576 -13.138 -0.078 877 1HG PRO 19 2HG PRO 19 -28.649 -12.008 -1.868 878 2HG PRO 19 1HG PRO 19 -28.486 -11.893 -0.109 879 1HD PRO 19 2HD PRO 19 -27.920 -9.820 -1.718 880 2HD PRO 19 1HD PRO 19 -26.995 -10.128 -0.229 881 H ASN 20 HN ASN 20 -26.621 -11.476 -4.115 882 HA ASN 20 HA ASN 20 -25.841 -13.923 -5.609 883 1HB ASN 20 2HB ASN 20 -27.027 -11.491 -6.901 884 2HB ASN 20 1HB ASN 20 -27.388 -13.189 -7.191 885 1HD2 ASN 20 1HD2 ASN 20 -27.772 -13.750 -4.266 886 2HD2 ASN 20 2HD2 ASN 20 -29.248 -13.031 -3.853 887 H PHE 21 HN PHE 21 -25.163 -10.465 -5.443 888 HA PHE 21 HA PHE 21 -22.544 -10.881 -6.798 889 1HB PHE 21 2HB PHE 21 -24.733 -9.021 -7.787 890 2HB PHE 21 1HB PHE 21 -23.121 -9.166 -8.486 891 HD1 PHE 21 HD1 PHE 21 -22.402 -11.686 -9.062 892 HD2 PHE 21 HD2 PHE 21 -26.449 -10.269 -8.745 893 HE1 PHE 21 HE1 PHE 21 -23.180 -13.588 -10.454 894 HE2 PHE 21 HE2 PHE 21 -27.226 -12.171 -10.136 895 HZ PHE 21 HZ PHE 21 -25.591 -13.832 -10.991 896 H ARG 22 HN ARG 22 -21.062 -9.143 -6.333 897 HA ARG 22 HA ARG 22 -21.877 -7.360 -4.110 898 1HB ARG 22 2HB ARG 22 -19.732 -8.598 -4.045 899 2HB ARG 22 1HB ARG 22 -19.225 -7.771 -5.516 900 1HG ARG 22 2HG ARG 22 -19.334 -5.610 -4.395 901 2HG ARG 22 1HG ARG 22 -19.962 -6.372 -2.933 902 1HD ARG 22 2HD ARG 22 -17.864 -7.661 -2.693 903 2HD ARG 22 1HD ARG 22 -17.227 -6.888 -4.158 904 HE ARG 22 HE ARG 22 -17.995 -4.727 -2.663 905 1HH1 ARG 22 1HH1 ARG 22 -16.142 -7.565 -1.979 906 2HH1 ARG 22 2HH1 ARG 22 -15.159 -6.788 -0.786 907 1HH2 ARG 22 1HH2 ARG 22 -16.713 -3.709 -1.112 908 2HH2 ARG 22 2HH2 ARG 22 -15.479 -4.609 -0.296 909 H THR 23 HN THR 23 -21.955 -5.131 -4.319 910 HA THR 23 HA THR 23 -21.787 -4.028 -7.106 911 HB THR 23 HB THR 23 -23.885 -3.599 -4.951 912 HG1 THR 23 HG1 THR 23 -23.809 -5.666 -6.111 913 1HG2 THR 23 1HG2 THR 23 -23.608 -2.567 -7.785 914 2HG2 THR 23 2HG2 THR 23 -23.696 -1.616 -6.302 915 3HG2 THR 23 3HG2 THR 23 -25.114 -2.497 -6.870 916 H HIS 24 HN HIS 24 -20.908 -1.924 -7.222 917 HA HIS 24 HA HIS 24 -20.313 -0.607 -4.595 918 1HB HIS 24 2HB HIS 24 -18.589 -1.636 -6.709 919 2HB HIS 24 1HB HIS 24 -18.251 0.055 -6.326 920 HD1 HIS 24 HD1 HIS 24 -17.000 -3.024 -5.346 921 HD2 HIS 24 HD2 HIS 24 -18.602 0.123 -3.133 922 HE1 HIS 24 HE1 HIS 24 -16.217 -3.348 -2.956 923 H VAL 25 HN VAL 25 -20.887 1.520 -4.508 924 HA VAL 25 HA VAL 25 -21.715 2.840 -7.063 925 HB VAL 25 HB VAL 25 -22.438 3.616 -4.244 926 1HG1 VAL 25 1HG1 VAL 25 -23.017 5.276 -5.875 927 2HG1 VAL 25 2HG1 VAL 25 -24.509 4.425 -5.472 928 3HG1 VAL 25 3HG1 VAL 25 -23.662 4.057 -6.974 929 1HG2 VAL 25 1HG2 VAL 25 -23.398 1.550 -4.094 930 2HG2 VAL 25 2HG2 VAL 25 -23.313 1.282 -5.834 931 3HG2 VAL 25 3HG2 VAL 25 -24.623 2.246 -5.154 932 H VAL 26 HN VAL 26 -20.659 4.617 -7.707 933 HA VAL 26 HA VAL 26 -18.677 5.850 -5.828 934 HB VAL 26 HB VAL 26 -17.359 6.258 -7.850 935 1HG1 VAL 26 1HG1 VAL 26 -16.578 4.147 -7.759 936 2HG1 VAL 26 2HG1 VAL 26 -18.016 3.530 -8.575 937 3HG1 VAL 26 3HG1 VAL 26 -18.010 3.721 -6.821 938 1HG2 VAL 26 1HG2 VAL 26 -19.940 5.535 -9.153 939 2HG2 VAL 26 2HG2 VAL 26 -18.471 4.990 -9.959 940 3HG2 VAL 26 3HG2 VAL 26 -18.719 6.706 -9.647 941 H GLU 27 HN GLU 27 -18.201 8.197 -6.468 942 HA GLU 27 HA GLU 27 -20.752 9.638 -7.036 943 1HB GLU 27 2HB GLU 27 -19.000 9.777 -4.982 944 2HB GLU 27 1HB GLU 27 -18.247 10.918 -6.089 945 1HG GLU 27 2HG GLU 27 -20.169 12.315 -6.132 946 2HG GLU 27 1HG GLU 27 -21.173 11.080 -5.375 947 H LEU 28 HN LEU 28 -20.892 10.339 -9.133 948 HA LEU 28 HA LEU 28 -18.519 10.388 -10.832 949 1HB LEU 28 2HB LEU 28 -21.082 9.733 -11.185 950 2HB LEU 28 1HB LEU 28 -21.200 11.426 -11.649 951 HG LEU 28 HG LEU 28 -19.484 11.129 -13.355 952 1HD1 LEU 28 1HD1 LEU 28 -19.223 8.426 -12.047 953 2HD1 LEU 28 2HD1 LEU 28 -17.955 9.583 -12.444 954 3HD1 LEU 28 3HD1 LEU 28 -18.736 8.657 -13.725 955 1HD2 LEU 28 1HD2 LEU 28 -21.661 10.574 -14.170 956 2HD2 LEU 28 2HD2 LEU 28 -21.662 9.028 -13.327 957 3HD2 LEU 28 3HD2 LEU 28 -20.610 9.272 -14.720 958 HA PRO 29 HA PRO 29 -17.648 14.654 -9.924 959 1HB PRO 29 2HB PRO 29 -15.862 15.004 -11.993 960 2HB PRO 29 1HB PRO 29 -15.447 14.315 -10.417 961 1HG PRO 29 2HG PRO 29 -15.969 12.951 -12.998 962 2HG PRO 29 1HG PRO 29 -14.842 12.527 -11.701 963 1HD PRO 29 2HD PRO 29 -17.196 11.244 -12.109 964 2HD PRO 29 1HD PRO 29 -16.436 11.394 -10.510 965 H ASP 30 HN ASP 30 -17.496 16.726 -11.376 966 HA ASP 30 HA ASP 30 -20.006 17.132 -12.601 967 1HB ASP 30 2HB ASP 30 -17.351 18.574 -12.754 968 2HB ASP 30 1HB ASP 30 -18.837 19.241 -13.429 969 H HIS 31 HN HIS 31 -16.847 16.411 -14.126 970 HA HIS 31 HA HIS 31 -18.058 16.682 -16.793 971 1HB HIS 31 2HB HIS 31 -15.763 16.429 -17.553 972 2HB HIS 31 1HB HIS 31 -15.784 17.517 -16.171 973 HD1 HIS 31 HD1 HIS 31 -16.258 14.617 -14.408 974 HD2 HIS 31 HD2 HIS 31 -12.996 15.972 -16.618 975 HE1 HIS 31 HE1 HIS 31 -14.232 13.356 -13.552 976 H MET 32 HN MET 32 -18.145 14.248 -14.593 977 HA MET 32 HA MET 32 -18.257 12.179 -16.764 978 1HB MET 32 2HB MET 32 -17.714 11.977 -13.789 979 2HB MET 32 1HB MET 32 -18.048 10.572 -14.801 980 1HG MET 32 2HG MET 32 -15.788 12.550 -15.224 981 2HG MET 32 1HG MET 32 -15.620 10.920 -14.567 982 1HE MET 32 1HE MET 32 -16.406 8.818 -15.740 983 2HE MET 32 2HE MET 32 -16.807 8.657 -17.448 984 3HE MET 32 3HE MET 32 -17.935 9.460 -16.358 985 H LEU 33 HN LEU 33 -20.016 14.092 -14.548 986 HA LEU 33 HA LEU 33 -22.251 12.330 -14.021 987 1HB LEU 33 2HB LEU 33 -21.629 15.263 -13.861 988 2HB LEU 33 1HB LEU 33 -23.297 14.729 -13.652 989 HG LEU 33 HG LEU 33 -20.999 13.514 -12.100 990 1HD1 LEU 33 1HD1 LEU 33 -22.441 16.071 -11.731 991 2HD1 LEU 33 2HD1 LEU 33 -20.878 15.558 -11.094 992 3HD1 LEU 33 3HD1 LEU 33 -22.366 15.045 -10.298 993 1HD2 LEU 33 1HD2 LEU 33 -23.432 12.501 -12.464 994 2HD2 LEU 33 2HD2 LEU 33 -23.853 13.663 -11.207 995 3HD2 LEU 33 3HD2 LEU 33 -22.644 12.419 -10.888 996 H ASP 34 HN ASP 34 -21.576 14.785 -16.507 997 HA ASP 34 HA ASP 34 -24.230 14.528 -17.704 998 1HB ASP 34 2HB ASP 34 -22.818 16.598 -17.590 999 2HB ASP 34 1HB ASP 34 -21.684 15.840 -18.707 1000 H GLY 35 HN GLY 35 -24.727 12.753 -18.943 1001 1HA GLY 35 2HA GLY 35 -24.329 11.852 -21.234 1002 2HA GLY 35 1HA GLY 35 -22.617 11.772 -20.824 1003 H LEU 36 HN LEU 36 -22.522 10.518 -18.430 1004 HA LEU 36 HA LEU 36 -22.776 7.809 -19.166 1005 1HB LEU 36 2HB LEU 36 -21.280 8.809 -17.432 1006 2HB LEU 36 1HB LEU 36 -22.683 9.003 -16.380 1007 HG LEU 36 HG LEU 36 -23.081 6.564 -16.466 1008 1HD1 LEU 36 1HD1 LEU 36 -20.745 6.724 -18.351 1009 2HD1 LEU 36 2HD1 LEU 36 -22.248 5.818 -18.519 1010 3HD1 LEU 36 3HD1 LEU 36 -21.002 5.258 -17.404 1011 1HD2 LEU 36 1HD2 LEU 36 -21.757 7.269 -14.612 1012 2HD2 LEU 36 2HD2 LEU 36 -20.341 7.534 -15.630 1013 3HD2 LEU 36 3HD2 LEU 36 -20.893 5.892 -15.298 1014 H GLU 37 HN GLU 37 -24.221 6.152 -18.485 1015 HA GLU 37 HA GLU 37 -26.684 6.904 -17.018 1016 1HB GLU 37 2HB GLU 37 -28.080 6.045 -18.885 1017 2HB GLU 37 1HB GLU 37 -27.100 7.419 -19.401 1018 1HG GLU 37 2HG GLU 37 -25.426 5.873 -20.349 1019 2HG GLU 37 1HG GLU 37 -26.406 4.499 -19.838 1020 H THR 38 HN THR 38 -28.009 4.816 -16.613 1021 HA THR 38 HA THR 38 -26.289 2.766 -15.572 1022 HB THR 38 HB THR 38 -28.817 1.671 -15.810 1023 HG1 THR 38 HG1 THR 38 -30.089 3.227 -16.353 1024 1HG2 THR 38 1HG2 THR 38 -29.087 2.982 -13.511 1025 2HG2 THR 38 2HG2 THR 38 -27.380 3.327 -13.788 1026 3HG2 THR 38 3HG2 THR 38 -27.935 1.658 -13.680 1027 H GLY 39 HN GLY 39 -26.023 0.569 -16.352 1028 1HA GLY 39 2HA GLY 39 -25.958 -1.147 -17.988 1029 2HA GLY 39 1HA GLY 39 -26.980 -0.160 -19.029 1030 H ALA 40 HN ALA 40 -24.705 1.944 -18.055 1031 HA ALA 40 HA ALA 40 -23.175 1.792 -20.545 1032 1HB ALA 40 1HB ALA 40 -21.959 3.701 -19.239 1033 2HB ALA 40 2HB ALA 40 -23.247 3.487 -18.051 1034 3HB ALA 40 3HB ALA 40 -23.641 3.956 -19.706 1035 H SER 41 HN SER 41 -20.818 1.451 -20.578 1036 HA SER 41 HA SER 41 -19.910 -0.395 -18.427 1037 1HB SER 41 2HB SER 41 -18.031 -0.421 -20.412 1038 2HB SER 41 1HB SER 41 -19.431 -1.480 -20.361 1039 HG SER 41 HG SER 41 -18.853 0.362 -22.157 1040 H VAL 42 HN VAL 42 -18.946 0.780 -16.800 1041 HA VAL 42 HA VAL 42 -17.115 3.023 -17.500 1042 HB VAL 42 HB VAL 42 -18.584 2.030 -15.086 1043 1HG1 VAL 42 1HG1 VAL 42 -16.727 2.160 -13.797 1044 2HG1 VAL 42 2HG1 VAL 42 -16.943 3.902 -13.969 1045 3HG1 VAL 42 3HG1 VAL 42 -15.821 3.044 -15.025 1046 1HG2 VAL 42 1HG2 VAL 42 -19.466 4.125 -15.120 1047 2HG2 VAL 42 2HG2 VAL 42 -18.855 4.155 -16.776 1048 3HG2 VAL 42 3HG2 VAL 42 -17.904 4.866 -15.468 1049 H ALA 43 HN ALA 43 -14.946 2.639 -17.582 1050 HA ALA 43 HA ALA 43 -13.891 0.046 -16.561 1051 1HB ALA 43 1HB ALA 43 -11.921 0.652 -17.854 1052 2HB ALA 43 2HB ALA 43 -12.534 2.288 -18.092 1053 3HB ALA 43 3HB ALA 43 -13.342 0.923 -18.863 1054 H HIS 44 HN HIS 44 -13.178 0.095 -14.473 1055 HA HIS 44 HA HIS 44 -12.522 2.688 -13.201 1056 1HB HIS 44 2HB HIS 44 -13.099 -0.131 -12.384 1057 2HB HIS 44 1HB HIS 44 -12.114 0.839 -11.289 1058 HD1 HIS 44 HD1 HIS 44 -14.904 2.291 -13.401 1059 HD2 HIS 44 HD2 HIS 44 -14.143 1.340 -9.405 1060 HE1 HIS 44 HE1 HIS 44 -16.799 3.293 -12.046 1061 HE2 HIS 44 HE2 HIS 44 -16.343 2.717 -9.621 1062 H ASN 45 HN ASN 45 -10.547 3.334 -13.915 1063 HA ASN 45 HA ASN 45 -8.240 3.348 -14.333 1064 1HB ASN 45 2HB ASN 45 -8.569 2.144 -11.937 1065 2HB ASN 45 1HB ASN 45 -7.843 0.814 -12.840 1066 1HD2 ASN 45 1HD2 ASN 45 -7.207 3.896 -11.355 1067 2HD2 ASN 45 2HD2 ASN 45 -5.580 4.017 -11.806 1068 H GLY 46 HN GLY 46 -10.372 1.308 -15.633 1069 1HA GLY 46 2HA GLY 46 -9.738 0.677 -17.947 1070 2HA GLY 46 1HA GLY 46 -8.267 -0.017 -17.277 1071 H CYS 47 HN CYS 47 -10.619 -0.834 -15.081 1072 HA CYS 47 HA CYS 47 -11.012 -3.496 -16.367 1073 1HB CYS 47 2HB CYS 47 -10.239 -3.319 -14.005 1074 2HB CYS 47 1HB CYS 47 -11.724 -2.463 -13.594 1075 HG CYS 47 HG CYS 47 -12.152 -4.985 -13.100 1076 H CYS 48 HN CYS 48 -12.727 -3.448 -17.775 1077 HA CYS 48 HA CYS 48 -14.791 -1.458 -17.614 1078 1HB CYS 48 2HB CYS 48 -15.717 -2.801 -19.536 1079 2HB CYS 48 1HB CYS 48 -14.012 -2.381 -19.718 1080 HG CYS 48 HG CYS 48 -13.753 -4.946 -18.513 1081 H LEU 49 HN LEU 49 -16.680 -1.514 -16.521 1082 HA LEU 49 HA LEU 49 -18.044 -4.096 -16.100 1083 1HB LEU 49 2HB LEU 49 -18.377 -3.416 -13.650 1084 2HB LEU 49 1HB LEU 49 -16.746 -3.926 -14.086 1085 HG LEU 49 HG LEU 49 -17.199 -1.063 -14.518 1086 1HD1 LEU 49 1HD1 LEU 49 -16.821 -1.335 -11.693 1087 2HD1 LEU 49 2HD1 LEU 49 -18.281 -2.216 -12.145 1088 3HD1 LEU 49 3HD1 LEU 49 -18.122 -0.505 -12.547 1089 1HD2 LEU 49 1HD2 LEU 49 -15.044 -2.680 -14.261 1090 2HD2 LEU 49 2HD2 LEU 49 -15.192 -2.131 -12.591 1091 3HD2 LEU 49 3HD2 LEU 49 -14.983 -0.957 -13.891 1092 H THR 50 HN THR 50 -20.354 -3.748 -15.638 1093 HA THR 50 HA THR 50 -21.236 -1.276 -16.989 1094 HB THR 50 HB THR 50 -22.802 -3.739 -16.176 1095 HG1 THR 50 HG1 THR 50 -22.317 -4.323 -18.403 1096 1HG2 THR 50 1HG2 THR 50 -24.361 -2.130 -16.859 1097 2HG2 THR 50 2HG2 THR 50 -24.013 -2.967 -18.372 1098 3HG2 THR 50 3HG2 THR 50 -23.255 -1.413 -18.029 1099 H VAL 51 HN VAL 51 -23.118 -0.082 -16.245 1100 HA VAL 51 HA VAL 51 -23.037 0.440 -13.362 1101 HB VAL 51 HB VAL 51 -24.784 1.595 -15.561 1102 1HG1 VAL 51 1HG1 VAL 51 -25.586 2.253 -13.411 1103 2HG1 VAL 51 2HG1 VAL 51 -24.656 3.613 -14.041 1104 3HG1 VAL 51 3HG1 VAL 51 -23.950 2.550 -12.822 1105 1HG2 VAL 51 1HG2 VAL 51 -23.044 2.788 -16.333 1106 2HG2 VAL 51 2HG2 VAL 51 -22.037 1.585 -15.533 1107 3HG2 VAL 51 3HG2 VAL 51 -22.419 3.101 -14.715 1108 H THR 52 HN THR 52 -24.280 -0.780 -11.996 1109 HA THR 52 HA THR 52 -26.674 -2.235 -12.810 1110 HB THR 52 HB THR 52 -26.813 -2.700 -10.425 1111 HG1 THR 52 HG1 THR 52 -26.194 -1.256 -9.057 1112 1HG2 THR 52 1HG2 THR 52 -24.096 -2.661 -11.684 1113 2HG2 THR 52 2HG2 THR 52 -25.115 -4.036 -11.256 1114 3HG2 THR 52 3HG2 THR 52 -24.251 -3.153 -9.997 1115 H GLU 53 HN GLU 53 -25.970 0.845 -11.164 1116 HA GLU 53 HA GLU 53 -28.664 1.859 -11.860 1117 1HB GLU 53 2HB GLU 53 -29.003 0.448 -9.869 1118 2HB GLU 53 1HB GLU 53 -27.750 1.349 -9.012 1119 1HG GLU 53 2HG GLU 53 -29.074 3.417 -9.242 1120 2HG GLU 53 1HG GLU 53 -30.330 2.518 -10.096 1121 H ILE 54 HN ILE 54 -28.867 4.124 -11.457 1122 HA ILE 54 HA ILE 54 -26.347 5.537 -10.626 1123 HB ILE 54 HB ILE 54 -28.677 6.432 -12.360 1124 1HG1 ILE 54 2HG1 ILE 54 -25.931 6.424 -13.413 1125 2HG1 ILE 54 1HG1 ILE 54 -26.552 4.821 -13.029 1126 1HG2 ILE 54 1HG2 ILE 54 -26.820 8.303 -12.768 1127 2HG2 ILE 54 2HG2 ILE 54 -26.338 7.838 -11.136 1128 3HG2 ILE 54 3HG2 ILE 54 -27.970 8.434 -11.437 1129 1HD1 ILE 54 1HD1 ILE 54 -28.433 6.610 -14.457 1130 2HD1 ILE 54 2HD1 ILE 54 -28.125 4.887 -14.688 1131 3HD1 ILE 54 3HD1 ILE 54 -27.031 6.080 -15.387 1132 H ASN 55 HN ASN 55 -26.484 6.610 -8.745 1133 HA ASN 55 HA ASN 55 -29.189 7.014 -7.518 1134 1HB ASN 55 2HB ASN 55 -26.376 6.653 -6.512 1135 2HB ASN 55 1HB ASN 55 -27.573 7.442 -5.484 1136 1HD2 ASN 55 1HD2 ASN 55 -26.697 4.370 -7.013 1137 2HD2 ASN 55 2HD2 ASN 55 -27.838 3.428 -6.181 1138 H GLY 56 HN GLY 56 -29.080 8.847 -9.318 1139 1HA GLY 56 2HA GLY 56 -29.108 11.210 -9.586 1140 2HA GLY 56 1HA GLY 56 -28.385 11.373 -7.982 1141 H ASN 57 HN ASN 57 -26.265 11.964 -7.957 1142 HA ASN 57 HA ASN 57 -24.704 11.936 -10.444 1143 1HB ASN 57 2HB ASN 57 -23.566 13.575 -9.361 1144 2HB ASN 57 1HB ASN 57 -24.820 13.462 -8.148 1145 1HD2 ASN 57 1HD2 ASN 57 -21.777 11.902 -9.043 1146 2HD2 ASN 57 2HD2 ASN 57 -21.243 11.601 -7.461 1147 H HIS 58 HN HIS 58 -25.188 9.908 -7.667 1148 HA HIS 58 HA HIS 58 -22.621 8.552 -7.753 1149 1HB HIS 58 2HB HIS 58 -25.289 8.186 -6.430 1150 2HB HIS 58 1HB HIS 58 -24.109 6.881 -6.356 1151 HD1 HIS 58 HD1 HIS 58 -25.133 9.306 -4.182 1152 HD2 HIS 58 HD2 HIS 58 -21.354 8.491 -5.751 1153 HE1 HIS 58 HE1 HIS 58 -23.450 10.301 -2.574 1154 H VAL 59 HN VAL 59 -22.364 6.251 -8.347 1155 HA VAL 59 HA VAL 59 -24.484 5.175 -10.131 1156 HB VAL 59 HB VAL 59 -21.595 5.717 -10.865 1157 1HG1 VAL 59 1HG1 VAL 59 -22.137 4.725 -13.028 1158 2HG1 VAL 59 2HG1 VAL 59 -23.779 4.395 -12.485 1159 3HG1 VAL 59 3HG1 VAL 59 -22.422 3.539 -11.753 1160 1HG2 VAL 59 1HG2 VAL 59 -23.070 6.896 -12.765 1161 2HG2 VAL 59 2HG2 VAL 59 -22.690 7.718 -11.251 1162 3HG2 VAL 59 3HG2 VAL 59 -24.259 6.936 -11.461 1163 H SER 60 HN SER 60 -24.874 3.202 -9.284 1164 HA SER 60 HA SER 60 -22.861 1.664 -7.789 1165 1HB SER 60 2HB SER 60 -25.633 0.907 -8.747 1166 2HB SER 60 1HB SER 60 -24.745 0.197 -7.404 1167 HG SER 60 HG SER 60 -25.801 2.817 -7.639 1168 H PHE 61 HN PHE 61 -21.538 0.096 -8.732 1169 HA PHE 61 HA PHE 61 -22.282 -0.808 -11.504 1170 1HB PHE 61 2HB PHE 61 -19.613 -0.471 -10.096 1171 2HB PHE 61 1HB PHE 61 -19.792 -1.211 -11.686 1172 HD1 PHE 61 HD1 PHE 61 -19.939 1.918 -9.769 1173 HD2 PHE 61 HD2 PHE 61 -20.502 0.113 -13.630 1174 HE1 PHE 61 HE1 PHE 61 -19.942 4.167 -10.820 1175 HE2 PHE 61 HE2 PHE 61 -20.505 2.362 -14.681 1176 HZ PHE 61 HZ PHE 61 -20.224 4.388 -13.275 1177 H ASP 62 HN ASP 62 -21.718 -3.106 -11.978 1178 HA ASP 62 HA ASP 62 -22.247 -4.799 -9.600 1179 1HB ASP 62 2HB ASP 62 -22.913 -6.435 -11.255 1180 2HB ASP 62 1HB ASP 62 -23.554 -4.879 -11.775 1181 H LEU 63 HN LEU 63 -20.978 -6.518 -8.983 1182 HA LEU 63 HA LEU 63 -18.390 -7.040 -10.319 1183 1HB LEU 63 2HB LEU 63 -18.846 -5.101 -8.243 1184 2HB LEU 63 1HB LEU 63 -17.844 -6.393 -7.602 1185 HG LEU 63 HG LEU 63 -16.975 -5.690 -10.269 1186 1HD1 LEU 63 1HD1 LEU 63 -16.353 -3.404 -8.537 1187 2HD1 LEU 63 2HD1 LEU 63 -18.068 -3.514 -8.950 1188 3HD1 LEU 63 3HD1 LEU 63 -16.852 -3.429 -10.228 1189 1HD2 LEU 63 1HD2 LEU 63 -15.399 -5.049 -7.800 1190 2HD2 LEU 63 2HD2 LEU 63 -14.868 -5.836 -9.287 1191 3HD2 LEU 63 3HD2 LEU 63 -15.810 -6.738 -8.098 1192 H MET 64 HN MET 64 -18.351 -9.287 -10.187 1193 HA MET 64 HA MET 64 -19.817 -10.736 -8.121 1194 1HB MET 64 2HB MET 64 -19.395 -11.474 -10.495 1195 2HB MET 64 1HB MET 64 -17.699 -11.702 -10.067 1196 1HG MET 64 2HG MET 64 -18.351 -13.315 -8.319 1197 2HG MET 64 1HG MET 64 -20.048 -13.085 -8.737 1198 1HE MET 64 1HE MET 64 -20.954 -13.166 -10.747 1199 2HE MET 64 2HE MET 64 -21.087 -14.862 -11.206 1200 3HE MET 64 3HE MET 64 -20.274 -13.726 -12.280 1201 H LYS 65 HN LYS 65 -18.900 -11.861 -6.334 1202 HA LYS 65 HA LYS 65 -16.719 -10.646 -5.000 1203 1HB LYS 65 2HB LYS 65 -18.519 -11.965 -3.944 1204 2HB LYS 65 1HB LYS 65 -17.906 -13.428 -4.718 1205 1HG LYS 65 2HG LYS 65 -15.826 -13.284 -3.491 1206 2HG LYS 65 1HG LYS 65 -16.268 -11.706 -2.838 1207 1HD LYS 65 2HD LYS 65 -16.750 -13.252 -1.095 1208 2HD LYS 65 1HD LYS 65 -18.313 -12.874 -1.821 1209 1HE LYS 65 2HE LYS 65 -18.303 -14.939 -3.091 1210 2HE LYS 65 1HE LYS 65 -16.635 -15.287 -2.592 1211 1HZ LYS 65 1HZ LYS 65 -17.701 -16.397 -0.945 1212 2HZ LYS 65 2HZ LYS 65 -19.104 -15.446 -1.046 1213 3HZ LYS 65 3HZ LYS 65 -17.734 -14.859 -0.231 1214 H GLU 66 HN GLU 66 -16.803 -13.797 -6.736 1215 HA GLU 66 HA GLU 66 -14.002 -14.357 -6.411 1216 1HB GLU 66 2HB GLU 66 -15.735 -16.012 -7.032 1217 2HB GLU 66 1HB GLU 66 -15.988 -15.174 -8.564 1218 1HG GLU 66 2HG GLU 66 -13.642 -15.612 -9.194 1219 2HG GLU 66 1HG GLU 66 -13.387 -16.452 -7.664 1220 H THR 67 HN THR 67 -15.821 -12.725 -9.026 1221 HA THR 67 HA THR 67 -13.573 -12.181 -10.734 1222 HB THR 67 HB THR 67 -16.144 -10.666 -10.179 1223 HG1 THR 67 HG1 THR 67 -16.872 -11.810 -11.969 1224 1HG2 THR 67 1HG2 THR 67 -15.305 -9.077 -11.525 1225 2HG2 THR 67 2HG2 THR 67 -15.279 -10.265 -12.826 1226 3HG2 THR 67 3HG2 THR 67 -13.852 -10.028 -11.817 1227 H LEU 68 HN LEU 68 -14.983 -10.469 -7.964 1228 HA LEU 68 HA LEU 68 -13.357 -8.130 -8.004 1229 1HB LEU 68 2HB LEU 68 -15.420 -8.531 -6.689 1230 2HB LEU 68 1HB LEU 68 -14.572 -9.744 -5.735 1231 HG LEU 68 HG LEU 68 -12.872 -7.810 -5.266 1232 1HD1 LEU 68 1HD1 LEU 68 -15.320 -6.403 -6.326 1233 2HD1 LEU 68 2HD1 LEU 68 -13.626 -6.095 -6.705 1234 3HD1 LEU 68 3HD1 LEU 68 -14.279 -5.623 -5.135 1235 1HD2 LEU 68 1HD2 LEU 68 -15.093 -7.007 -3.695 1236 2HD2 LEU 68 2HD2 LEU 68 -13.828 -8.156 -3.255 1237 3HD2 LEU 68 3HD2 LEU 68 -15.306 -8.726 -4.033 1238 H ARG 69 HN ARG 69 -12.906 -11.309 -6.470 1239 HA ARG 69 HA ARG 69 -10.339 -10.733 -5.262 1240 1HB ARG 69 2HB ARG 69 -11.844 -13.249 -6.035 1241 2HB ARG 69 1HB ARG 69 -10.351 -13.269 -5.100 1242 1HG ARG 69 2HG ARG 69 -12.805 -11.692 -4.285 1243 2HG ARG 69 1HG ARG 69 -12.462 -13.322 -3.706 1244 1HD ARG 69 2HD ARG 69 -10.461 -11.063 -3.424 1245 2HD ARG 69 1HD ARG 69 -11.663 -11.439 -2.173 1246 HE ARG 69 HE ARG 69 -10.227 -13.803 -3.089 1247 1HH1 ARG 69 1HH1 ARG 69 -10.200 -11.057 -0.988 1248 2HH1 ARG 69 2HH1 ARG 69 -9.135 -11.791 0.163 1249 1HH2 ARG 69 1HH2 ARG 69 -8.839 -14.763 -1.593 1250 2HH2 ARG 69 2HH2 ARG 69 -8.365 -13.884 -0.178 1251 H ILE 70 HN ILE 70 -11.356 -12.241 -8.332 1252 HA ILE 70 HA ILE 70 -8.773 -13.123 -9.163 1253 HB ILE 70 HB ILE 70 -11.395 -13.347 -9.917 1254 1HG1 ILE 70 2HG1 ILE 70 -8.996 -14.005 -11.638 1255 2HG1 ILE 70 1HG1 ILE 70 -9.548 -14.963 -10.263 1256 1HG2 ILE 70 1HG2 ILE 70 -11.474 -11.270 -11.164 1257 2HG2 ILE 70 2HG2 ILE 70 -11.497 -12.611 -12.308 1258 3HG2 ILE 70 3HG2 ILE 70 -10.009 -11.701 -12.046 1259 1HD1 ILE 70 1HD1 ILE 70 -11.105 -14.386 -12.800 1260 2HD1 ILE 70 2HD1 ILE 70 -11.765 -15.221 -11.394 1261 3HD1 ILE 70 3HD1 ILE 70 -10.439 -15.942 -12.307 1262 H THR 71 HN THR 71 -10.620 -10.181 -9.818 1263 HA THR 71 HA THR 71 -8.429 -8.950 -11.345 1264 HB THR 71 HB THR 71 -10.039 -7.146 -11.591 1265 HG1 THR 71 HG1 THR 71 -11.655 -8.486 -9.700 1266 1HG2 THR 71 1HG2 THR 71 -12.050 -9.260 -11.592 1267 2HG2 THR 71 2HG2 THR 71 -10.536 -9.769 -12.343 1268 3HG2 THR 71 3HG2 THR 71 -11.385 -8.340 -12.943 1269 H ASN 72 HN ASN 72 -8.350 -6.423 -10.499 1270 HA ASN 72 HA ASN 72 -7.540 -6.532 -7.627 1271 1HB ASN 72 2HB ASN 72 -5.690 -5.815 -8.837 1272 2HB ASN 72 1HB ASN 72 -6.670 -5.091 -10.102 1273 1HD2 ASN 72 1HD2 ASN 72 -5.781 -2.986 -10.078 1274 2HD2 ASN 72 2HD2 ASN 72 -5.844 -1.961 -8.724 1275 H LEU 73 HN LEU 73 -10.286 -6.249 -9.032 1276 HA LEU 73 HA LEU 73 -11.267 -3.577 -8.489 1277 1HB LEU 73 2HB LEU 73 -12.521 -6.334 -8.698 1278 2HB LEU 73 1HB LEU 73 -13.463 -4.851 -8.549 1279 HG LEU 73 HG LEU 73 -11.421 -5.320 -10.750 1280 1HD1 LEU 73 1HD1 LEU 73 -14.307 -5.288 -11.387 1281 2HD1 LEU 73 2HD1 LEU 73 -13.751 -6.713 -10.510 1282 3HD1 LEU 73 3HD1 LEU 73 -13.014 -6.285 -12.053 1283 1HD2 LEU 73 1HD2 LEU 73 -11.987 -2.952 -10.137 1284 2HD2 LEU 73 2HD2 LEU 73 -13.681 -3.309 -10.476 1285 3HD2 LEU 73 3HD2 LEU 73 -12.488 -3.380 -11.772 1286 H GLY 74 HN GLY 74 -11.081 -6.607 -6.604 1287 1HA GLY 74 2HA GLY 74 -12.604 -5.954 -4.389 1288 2HA GLY 74 1HA GLY 74 -11.159 -6.948 -4.292 1289 H ASP 75 HN ASP 75 -9.524 -4.605 -5.309 1290 HA ASP 75 HA ASP 75 -8.624 -3.727 -2.752 1291 1HB ASP 75 2HB ASP 75 -7.098 -2.389 -4.060 1292 2HB ASP 75 1HB ASP 75 -7.390 -3.876 -4.962 1293 H LEU 76 HN LEU 76 -11.186 -2.555 -4.745 1294 HA LEU 76 HA LEU 76 -11.172 0.217 -4.169 1295 1HB LEU 76 2HB LEU 76 -13.456 -1.718 -4.578 1296 2HB LEU 76 1HB LEU 76 -13.609 0.030 -4.676 1297 HG LEU 76 HG LEU 76 -11.727 -1.619 -6.385 1298 1HD1 LEU 76 1HD1 LEU 76 -13.452 -0.681 -8.162 1299 2HD1 LEU 76 2HD1 LEU 76 -14.539 -0.654 -6.773 1300 3HD1 LEU 76 3HD1 LEU 76 -13.799 -2.171 -7.283 1301 1HD2 LEU 76 1HD2 LEU 76 -12.460 1.025 -7.331 1302 2HD2 LEU 76 2HD2 LEU 76 -10.855 0.361 -7.030 1303 3HD2 LEU 76 3HD2 LEU 76 -11.758 1.115 -5.716 1304 H LYS 77 HN LYS 77 -11.887 1.407 -2.477 1305 HA LYS 77 HA LYS 77 -13.405 0.119 -0.274 1306 1HB LYS 77 2HB LYS 77 -10.783 1.622 0.034 1307 2HB LYS 77 1HB LYS 77 -11.778 1.037 1.370 1308 1HG LYS 77 2HG LYS 77 -11.530 -1.275 0.547 1309 2HG LYS 77 1HG LYS 77 -10.533 -0.696 -0.787 1310 1HD LYS 77 2HD LYS 77 -8.885 0.187 0.826 1311 2HD LYS 77 1HD LYS 77 -9.881 -0.399 2.160 1312 1HE LYS 77 2HE LYS 77 -9.093 -2.518 1.930 1313 2HE LYS 77 1HE LYS 77 -9.345 -2.489 0.173 1314 1HZ LYS 77 1HZ LYS 77 -7.074 -2.454 0.247 1315 2HZ LYS 77 2HZ LYS 77 -7.012 -1.625 1.730 1316 3HZ LYS 77 3HZ LYS 77 -7.376 -0.786 0.298 1317 H VAL 78 HN VAL 78 -14.860 1.580 0.654 1318 HA VAL 78 HA VAL 78 -15.577 3.859 -0.848 1319 HB VAL 78 HB VAL 78 -16.180 3.321 2.074 1320 1HG1 VAL 78 1HG1 VAL 78 -18.359 4.251 0.398 1321 2HG1 VAL 78 2HG1 VAL 78 -16.979 5.361 0.294 1322 3HG1 VAL 78 3HG1 VAL 78 -17.693 4.981 1.863 1323 1HG2 VAL 78 1HG2 VAL 78 -17.214 1.437 1.427 1324 2HG2 VAL 78 2HG2 VAL 78 -16.628 1.687 -0.218 1325 3HG2 VAL 78 3HG2 VAL 78 -18.183 2.358 0.277 1326 H GLY 79 HN GLY 79 -15.361 6.082 -0.438 1327 1HA GLY 79 2HA GLY 79 -14.443 8.020 0.629 1328 2HA GLY 79 1HA GLY 79 -13.498 6.964 1.682 1329 H ASP 80 HN ASP 80 -12.963 5.441 -1.022 1330 HA ASP 80 HA ASP 80 -10.538 7.023 -1.744 1331 1HB ASP 80 2HB ASP 80 -10.618 4.505 -1.158 1332 2HB ASP 80 1HB ASP 80 -11.388 4.291 -2.729 1333 H TRP 81 HN TRP 81 -10.093 7.043 -4.210 1334 HA TRP 81 HA TRP 81 -12.678 7.384 -5.697 1335 1HB TRP 81 2HB TRP 81 -10.048 8.875 -5.804 1336 2HB TRP 81 1HB TRP 81 -11.242 8.997 -7.093 1337 HD1 TRP 81 HD1 TRP 81 -11.549 9.058 -3.229 1338 HE1 TRP 81 HE1 TRP 81 -13.019 11.070 -2.582 1339 HE3 TRP 81 HE3 TRP 81 -12.454 11.017 -7.860 1340 HZ2 TRP 81 HZ2 TRP 81 -14.391 13.233 -3.854 1341 HZ3 TRP 81 HZ3 TRP 81 -13.846 13.054 -8.115 1342 HH2 TRP 81 HH2 TRP 81 -14.815 14.162 -6.117 1343 H VAL 82 HN VAL 82 -12.363 7.034 -8.101 1344 HA VAL 82 HA VAL 82 -10.287 4.950 -8.684 1345 HB VAL 82 HB VAL 82 -12.304 3.743 -8.388 1346 1HG1 VAL 82 1HG1 VAL 82 -14.325 4.800 -9.898 1347 2HG1 VAL 82 2HG1 VAL 82 -13.501 6.263 -9.357 1348 3HG1 VAL 82 3HG1 VAL 82 -14.120 5.110 -8.174 1349 1HG2 VAL 82 1HG2 VAL 82 -12.904 4.214 -11.224 1350 2HG2 VAL 82 2HG2 VAL 82 -12.420 2.723 -10.410 1351 3HG2 VAL 82 3HG2 VAL 82 -11.197 3.894 -10.903 1352 H ASN 83 HN ASN 83 -9.601 4.926 -10.890 1353 HA ASN 83 HA ASN 83 -9.985 7.427 -12.419 1354 1HB ASN 83 2HB ASN 83 -8.216 5.104 -12.319 1355 2HB ASN 83 1HB ASN 83 -8.660 5.509 -13.960 1356 1HD2 ASN 83 1HD2 ASN 83 -6.263 6.174 -14.097 1357 2HD2 ASN 83 2HD2 ASN 83 -5.845 7.734 -13.574 1358 H VAL 84 HN VAL 84 -12.072 7.507 -13.292 1359 HA VAL 84 HA VAL 84 -13.160 4.959 -14.392 1360 HB VAL 84 HB VAL 84 -15.301 6.553 -14.406 1361 1HG1 VAL 84 1HG1 VAL 84 -14.174 5.466 -11.816 1362 2HG1 VAL 84 2HG1 VAL 84 -14.814 4.438 -13.102 1363 3HG1 VAL 84 3HG1 VAL 84 -15.871 5.592 -12.287 1364 1HG2 VAL 84 1HG2 VAL 84 -13.690 8.463 -13.591 1365 2HG2 VAL 84 2HG2 VAL 84 -13.844 7.667 -12.025 1366 3HG2 VAL 84 3HG2 VAL 84 -15.277 8.293 -12.840 1367 H GLU 85 HN GLU 85 -13.768 4.727 -16.462 1368 HA GLU 85 HA GLU 85 -13.450 7.067 -18.318 1369 1HB GLU 85 2HB GLU 85 -11.475 5.583 -18.353 1370 2HB GLU 85 1HB GLU 85 -12.518 4.199 -18.680 1371 1HG GLU 85 2HG GLU 85 -13.262 5.250 -20.786 1372 2HG GLU 85 1HG GLU 85 -12.216 6.633 -20.464 1373 H ARG 86 HN ARG 86 -15.008 7.154 -19.967 1374 HA ARG 86 HA ARG 86 -17.408 5.520 -19.595 1375 1HB ARG 86 2HB ARG 86 -17.434 7.938 -20.103 1376 2HB ARG 86 1HB ARG 86 -16.623 7.626 -21.637 1377 1HG ARG 86 2HG ARG 86 -18.555 6.136 -22.269 1378 2HG ARG 86 1HG ARG 86 -19.382 6.685 -20.810 1379 1HD ARG 86 2HD ARG 86 -18.336 8.596 -22.924 1380 2HD ARG 86 1HD ARG 86 -20.003 7.988 -22.896 1381 HE ARG 86 HE ARG 86 -19.462 8.893 -20.288 1382 1HH1 ARG 86 1HH1 ARG 86 -19.590 10.149 -23.507 1383 2HH1 ARG 86 2HH1 ARG 86 -20.054 11.739 -23.004 1384 1HH2 ARG 86 1HH2 ARG 86 -20.063 10.964 -19.626 1385 2HH2 ARG 86 2HH2 ARG 86 -20.320 12.200 -20.812 1386 H ALA 87 HN ALA 87 -17.661 3.556 -20.580 1387 HA ALA 87 HA ALA 87 -16.319 3.106 -23.230 1388 1HB ALA 87 1HB ALA 87 -15.774 0.985 -22.532 1389 2HB ALA 87 2HB ALA 87 -17.183 0.853 -21.483 1390 3HB ALA 87 3HB ALA 87 -15.782 1.787 -20.962 1391 H ALA 88 HN ALA 88 -17.589 2.242 -24.855 1392 HA ALA 88 HA ALA 88 -20.515 1.945 -24.250 1393 1HB ALA 88 1HB ALA 88 -18.965 3.627 -26.108 1394 2HB ALA 88 2HB ALA 88 -20.593 3.868 -25.470 1395 3HB ALA 88 3HB ALA 88 -20.336 2.810 -26.858 1396 H LYS 89 HN LYS 89 -21.555 0.233 -25.250 1397 HA LYS 89 HA LYS 89 -20.084 -2.036 -26.145 1398 1HB LYS 89 2HB LYS 89 -22.964 -1.189 -26.609 1399 2HB LYS 89 1HB LYS 89 -22.349 -2.834 -26.776 1400 1HG LYS 89 2HG LYS 89 -22.390 -1.168 -24.244 1401 2HG LYS 89 1HG LYS 89 -23.355 -2.607 -24.573 1402 1HD LYS 89 2HD LYS 89 -21.204 -3.894 -24.835 1403 2HD LYS 89 1HD LYS 89 -20.345 -2.458 -24.277 1404 1HE LYS 89 2HE LYS 89 -20.645 -3.697 -22.284 1405 2HE LYS 89 1HE LYS 89 -22.017 -2.570 -22.247 1406 1HZ LYS 89 1HZ LYS 89 -23.142 -4.525 -22.037 1407 2HZ LYS 89 2HZ LYS 89 -21.977 -5.429 -22.879 1408 3HZ LYS 89 3HZ LYS 89 -23.076 -4.452 -23.729 1409 H PHE 90 HN PHE 90 -21.686 0.587 -27.947 1410 HA PHE 90 HA PHE 90 -20.286 -0.375 -30.420 1411 1HB PHE 90 2HB PHE 90 -22.363 0.209 -31.636 1412 2HB PHE 90 1HB PHE 90 -22.678 -0.995 -30.387 1413 HD1 PHE 90 HD1 PHE 90 -23.590 -0.228 -28.138 1414 HD2 PHE 90 HD2 PHE 90 -23.424 2.335 -31.586 1415 HE1 PHE 90 HE1 PHE 90 -25.244 1.295 -27.087 1416 HE2 PHE 90 HE2 PHE 90 -25.079 3.857 -30.534 1417 HZ PHE 90 HZ PHE 90 -25.987 3.338 -28.283 1418 H SER 91 HN SER 91 -19.824 1.354 -31.961 1419 HA SER 91 HA SER 91 -19.206 3.911 -30.637 1420 1HB SER 91 2HB SER 91 -18.012 4.309 -32.768 1421 2HB SER 91 1HB SER 91 -17.621 2.721 -32.114 1422 HG SER 91 HG SER 91 -18.727 3.351 -34.464 1423 H ASP 92 HN ASP 92 -19.913 5.986 -31.528 1424 HA ASP 92 HA ASP 92 -22.708 6.061 -32.281 1425 1HB ASP 92 2HB ASP 92 -20.455 8.085 -32.176 1426 2HB ASP 92 1HB ASP 92 -22.124 8.528 -32.536 1427 H GLU 93 HN GLU 93 -19.670 6.681 -34.063 1428 HA GLU 93 HA GLU 93 -20.660 5.586 -36.506 1429 1HB GLU 93 2HB GLU 93 -21.277 7.540 -37.711 1430 2HB GLU 93 1HB GLU 93 -22.010 7.752 -36.123 1431 1HG GLU 93 2HG GLU 93 -19.725 8.949 -35.561 1432 2HG GLU 93 1HG GLU 93 -19.643 9.154 -37.311 1433 H ILE 94 HN ILE 94 -18.268 5.153 -35.288 1434 HA ILE 94 HA ILE 94 -16.092 6.868 -36.023 1435 HB ILE 94 HB ILE 94 -16.352 3.888 -35.513 1436 1HG1 ILE 94 2HG1 ILE 94 -15.043 5.954 -33.743 1437 2HG1 ILE 94 1HG1 ILE 94 -16.791 5.708 -33.697 1438 1HG2 ILE 94 1HG2 ILE 94 -14.172 5.283 -36.694 1439 2HG2 ILE 94 2HG2 ILE 94 -14.211 3.611 -36.139 1440 3HG2 ILE 94 3HG2 ILE 94 -13.706 4.894 -35.039 1441 1HD1 ILE 94 1HD1 ILE 94 -14.603 3.738 -33.040 1442 2HD1 ILE 94 2HD1 ILE 94 -16.237 3.200 -33.424 1443 3HD1 ILE 94 3HD1 ILE 94 -15.958 4.247 -32.032 1444 H GLY 95 HN GLY 95 -17.652 4.147 -37.718 1445 1HA GLY 95 2HA GLY 95 -17.807 3.927 -40.095 1446 2HA GLY 95 1HA GLY 95 -16.591 5.194 -40.267 1447 H GLY 96 HN GLY 96 -14.585 4.109 -38.573 1448 1HA GLY 96 2HA GLY 96 -13.118 2.192 -38.401 1449 2HA GLY 96 1HA GLY 96 -13.985 1.446 -39.744 1450 H HIS 97 HN HIS 97 -13.565 4.598 -40.620 1451 HA HIS 97 HA HIS 97 -11.229 3.901 -42.321 1452 1HB HIS 97 2HB HIS 97 -13.613 5.046 -42.861 1453 2HB HIS 97 1HB HIS 97 -12.676 6.499 -42.513 1454 HD1 HIS 97 HD1 HIS 97 -11.370 7.393 -44.438 1455 HD2 HIS 97 HD2 HIS 97 -12.149 3.322 -44.879 1456 HE1 HIS 97 HE1 HIS 97 -10.442 6.729 -46.699 1457 HN3 RBF 98 HN3 RBF 98 4.147 6.609 -13.456 1458 HC6 RBF 98 HC6 RBF 98 3.129 4.710 -20.078 1459 1HC7 RBF 98 1HC7 RBF 98 1.627 4.185 -22.273 1460 2HC7 RBF 98 2HC7 RBF 98 2.937 5.253 -22.821 1461 3HC7 RBF 98 3HC7 RBF 98 1.248 5.648 -23.206 1462 1HC8 RBF 98 1HC8 RBF 98 -0.267 6.748 -22.795 1463 2HC8 RBF 98 2HC8 RBF 98 0.939 8.021 -23.077 1464 3HC8 RBF 98 3HC8 RBF 98 -0.490 8.356 -22.074 1465 HC9 RBF 98 HC9 RBF 98 0.281 8.776 -19.896 1466 1HC1 RBF 98 1HC1 RBF 98 0.927 10.062 -18.358 1467 2HC1 RBF 98 2HC1 RBF 98 0.874 9.917 -16.589 1468 HC2* RBF 98 HC2* RBF 98 -0.877 7.950 -17.842 1469 HO2* RBF 98 HO2* RBF 98 -2.115 9.240 -19.066 1470 HC3* RBF 98 HC3* RBF 98 -0.877 8.834 -15.463 1471 HO3* RBF 98 HO3* RBF 98 -3.197 8.859 -17.124 1472 HC4* RBF 98 HC4* RBF 98 -0.677 11.279 -16.459 1473 HO4* RBF 98 HO4* RBF 98 -2.495 10.869 -14.289 1474 1HC5 RBF 98 1HC5 RBF 98 -2.862 12.421 -16.552 1475 2HC5 RBF 98 2HC5 RBF 98 -2.783 11.128 -17.767 1476 HO5* RBF 98 HO5* RBF 98 -4.215 11.195 -15.307 1477 HN3 RBF 99 HN3 RBF 99 -18.688 -6.466 -12.485 1478 HC6 RBF 99 HC6 RBF 99 -17.893 -5.175 -19.282 1479 1HC7 RBF 99 1HC7 RBF 99 -16.466 -4.851 -21.563 1480 2HC7 RBF 99 2HC7 RBF 99 -17.790 -5.964 -21.969 1481 3HC7 RBF 99 3HC7 RBF 99 -16.113 -6.394 -22.371 1482 1HC8 RBF 99 1HC8 RBF 99 -14.582 -7.451 -21.912 1483 2HC8 RBF 99 2HC8 RBF 99 -15.793 -8.745 -22.037 1484 3HC8 RBF 99 3HC8 RBF 99 -14.331 -8.987 -21.057 1485 HC9 RBF 99 HC9 RBF 99 -15.029 -9.207 -18.825 1486 1HC1 RBF 99 1HC1 RBF 99 -15.619 -10.348 -17.156 1487 2HC1 RBF 99 2HC1 RBF 99 -15.509 -10.042 -15.410 1488 HC2* RBF 99 HC2* RBF 99 -13.807 -8.197 -16.893 1489 HO2* RBF 99 HO2* RBF 99 -12.605 -9.593 -18.035 1490 HC3* RBF 99 HC3* RBF 99 -13.726 -8.862 -14.445 1491 HO3* RBF 99 HO3* RBF 99 -11.461 -9.037 -16.173 1492 HC4* RBF 99 HC4* RBF 99 -13.951 -11.387 -15.208 1493 HO4* RBF 99 HO4* RBF 99 -12.064 -10.782 -13.146 1494 1HC5 RBF 99 1HC5 RBF 99 -11.766 -12.533 -15.268 1495 2HC5 RBF 99 2HC5 RBF 99 -11.888 -11.356 -16.593 1496 HO5* RBF 99 HO5* RBF 99 -10.376 -11.199 -14.185 Start of MODEL 8 1 1H MET 1 1HT MET 1 -15.255 -4.833 -30.593 2 2H MET 1 2HT MET 1 -15.176 -3.404 -29.679 3 3H MET 1 3HT MET 1 -16.616 -4.301 -29.732 4 HA MET 1 HA MET 1 -15.991 -5.535 -27.999 5 1HB MET 1 2HB MET 1 -14.860 -6.851 -29.795 6 2HB MET 1 1HB MET 1 -13.402 -5.892 -29.542 7 1HG MET 1 2HG MET 1 -13.318 -6.649 -27.189 8 2HG MET 1 1HG MET 1 -14.759 -7.629 -27.460 9 1HE MET 1 1HE MET 1 -13.982 -10.506 -29.363 10 2HE MET 1 2HE MET 1 -14.115 -9.167 -30.499 11 3HE MET 1 3HE MET 1 -15.107 -9.178 -29.042 12 H PHE 2 HN PHE 2 -14.989 -5.196 -26.000 13 HA PHE 2 HA PHE 2 -12.507 -3.751 -25.717 14 1HB PHE 2 2HB PHE 2 -13.331 -1.708 -24.826 15 2HB PHE 2 1HB PHE 2 -14.300 -1.984 -26.274 16 HD1 PHE 2 HD1 PHE 2 -14.458 -1.123 -22.877 17 HD2 PHE 2 HD2 PHE 2 -16.505 -3.479 -25.820 18 HE1 PHE 2 HE1 PHE 2 -16.470 -1.133 -21.458 19 HE2 PHE 2 HE2 PHE 2 -18.541 -3.473 -24.411 20 HZ PHE 2 HZ PHE 2 -18.529 -2.296 -22.225 21 H THR 3 HN THR 3 -11.669 -4.191 -23.672 22 HA THR 3 HA THR 3 -13.512 -5.433 -21.675 23 HB THR 3 HB THR 3 -12.050 -7.359 -21.607 24 HG1 THR 3 HG1 THR 3 -10.255 -7.181 -23.302 25 1HG2 THR 3 1HG2 THR 3 -12.509 -6.469 -24.467 26 2HG2 THR 3 2HG2 THR 3 -13.645 -7.364 -23.459 27 3HG2 THR 3 3HG2 THR 3 -12.136 -8.120 -23.970 28 H GLY 4 HN GLY 4 -10.361 -3.982 -22.399 29 1HA GLY 4 2HA GLY 4 -8.686 -3.163 -20.968 30 2HA GLY 4 1HA GLY 4 -10.035 -2.478 -20.057 31 H ILE 5 HN ILE 5 -9.839 -5.945 -20.499 32 HA ILE 5 HA ILE 5 -9.795 -6.280 -17.583 33 HB ILE 5 HB ILE 5 -9.829 -8.258 -19.889 34 1HG1 ILE 5 2HG1 ILE 5 -12.050 -7.086 -18.183 35 2HG1 ILE 5 1HG1 ILE 5 -11.769 -6.757 -19.890 36 1HG2 ILE 5 1HG2 ILE 5 -10.823 -8.790 -17.102 37 2HG2 ILE 5 2HG2 ILE 5 -9.114 -9.005 -17.482 38 3HG2 ILE 5 3HG2 ILE 5 -10.335 -9.942 -18.345 39 1HD1 ILE 5 1HD1 ILE 5 -11.919 -9.622 -19.293 40 2HD1 ILE 5 2HD1 ILE 5 -12.754 -8.695 -20.537 41 3HD1 ILE 5 3HD1 ILE 5 -13.404 -8.757 -18.902 42 H VAL 6 HN VAL 6 -8.059 -6.920 -16.355 43 HA VAL 6 HA VAL 6 -5.409 -6.852 -17.589 44 HB VAL 6 HB VAL 6 -6.676 -6.730 -14.911 45 1HG1 VAL 6 1HG1 VAL 6 -4.642 -7.227 -13.678 46 2HG1 VAL 6 2HG1 VAL 6 -3.767 -7.550 -15.176 47 3HG1 VAL 6 3HG1 VAL 6 -5.054 -8.637 -14.655 48 1HG2 VAL 6 1HG2 VAL 6 -4.168 -5.335 -15.299 49 2HG2 VAL 6 2HG2 VAL 6 -5.781 -4.668 -15.042 50 3HG2 VAL 6 3HG2 VAL 6 -5.244 -5.074 -16.670 51 H GLN 7 HN GLN 7 -4.033 -8.544 -17.901 52 HA GLN 7 HA GLN 7 -5.080 -11.218 -18.088 53 1HB GLN 7 2HB GLN 7 -2.314 -9.987 -18.224 54 2HB GLN 7 1HB GLN 7 -2.636 -11.679 -18.604 55 1HG GLN 7 2HG GLN 7 -4.241 -10.988 -20.346 56 2HG GLN 7 1HG GLN 7 -3.918 -9.295 -19.971 57 1HE2 GLN 7 1HE2 GLN 7 -3.054 -11.710 -22.110 58 2HE2 GLN 7 2HE2 GLN 7 -1.518 -11.142 -22.558 59 H GLY 8 HN GLY 8 -3.083 -9.541 -15.646 60 1HA GLY 8 2HA GLY 8 -3.416 -11.887 -13.844 61 2HA GLY 8 1HA GLY 8 -1.773 -11.466 -14.322 62 H THR 9 HN THR 9 -2.169 -11.359 -11.680 63 HA THR 9 HA THR 9 -2.691 -8.469 -11.070 64 HB THR 9 HB THR 9 -3.277 -9.459 -8.777 65 HG1 THR 9 HG1 THR 9 -3.437 -11.841 -10.292 66 1HG2 THR 9 1HG2 THR 9 -5.416 -10.627 -9.989 67 2HG2 THR 9 2HG2 THR 9 -4.771 -9.673 -11.325 68 3HG2 THR 9 3HG2 THR 9 -5.228 -8.879 -9.816 69 H ALA 10 HN ALA 10 -1.514 -7.744 -9.050 70 HA ALA 10 HA ALA 10 1.226 -8.945 -8.791 71 1HB ALA 10 1HB ALA 10 1.488 -6.164 -8.709 72 2HB ALA 10 2HB ALA 10 0.309 -6.435 -9.997 73 3HB ALA 10 3HB ALA 10 1.900 -7.198 -10.076 74 H LYS 11 HN LYS 11 2.181 -8.553 -6.736 75 HA LYS 11 HA LYS 11 0.267 -7.559 -4.656 76 1HB LYS 11 2HB LYS 11 1.087 -9.874 -4.474 77 2HB LYS 11 1HB LYS 11 2.747 -9.288 -4.504 78 1HG LYS 11 2HG LYS 11 2.409 -8.055 -2.434 79 2HG LYS 11 1HG LYS 11 0.702 -8.498 -2.415 80 1HD LYS 11 2HD LYS 11 1.133 -10.539 -1.550 81 2HD LYS 11 1HD LYS 11 2.478 -10.815 -2.659 82 1HE LYS 11 2HE LYS 11 3.799 -9.140 -1.191 83 2HE LYS 11 1HE LYS 11 2.516 -9.395 0.010 84 1HZ LYS 11 1HZ LYS 11 2.921 -11.887 -0.674 85 2HZ LYS 11 2HZ LYS 11 3.863 -11.143 0.527 86 3HZ LYS 11 3HZ LYS 11 4.467 -11.304 -1.052 87 H LEU 12 HN LEU 12 0.708 -5.475 -4.031 88 HA LEU 12 HA LEU 12 3.196 -4.082 -4.401 89 1HB LEU 12 2HB LEU 12 0.768 -3.273 -3.825 90 2HB LEU 12 1HB LEU 12 1.220 -3.621 -2.173 91 HG LEU 12 HG LEU 12 3.025 -2.034 -2.242 92 1HD1 LEU 12 1HD1 LEU 12 2.638 -2.354 -5.160 93 2HD1 LEU 12 2HD1 LEU 12 4.112 -2.019 -4.251 94 3HD1 LEU 12 3HD1 LEU 12 2.992 -0.709 -4.631 95 1HD2 LEU 12 1HD2 LEU 12 1.347 -0.196 -3.662 96 2HD2 LEU 12 2HD2 LEU 12 1.523 -0.384 -1.918 97 3HD2 LEU 12 3HD2 LEU 12 0.306 -1.320 -2.787 98 H VAL 13 HN VAL 13 5.042 -4.344 -3.260 99 HA VAL 13 HA VAL 13 4.884 -5.758 -0.626 100 HB VAL 13 HB VAL 13 5.702 -7.317 -2.184 101 1HG1 VAL 13 1HG1 VAL 13 7.890 -6.283 -3.514 102 2HG1 VAL 13 2HG1 VAL 13 6.731 -4.955 -3.547 103 3HG1 VAL 13 3HG1 VAL 13 6.285 -6.533 -4.206 104 1HG2 VAL 13 1HG2 VAL 13 7.145 -7.066 -0.173 105 2HG2 VAL 13 2HG2 VAL 13 8.167 -5.953 -1.082 106 3HG2 VAL 13 3HG2 VAL 13 8.046 -7.642 -1.576 107 H SER 14 HN SER 14 6.407 -3.306 -2.607 108 HA SER 14 HA SER 14 7.554 -2.108 -0.109 109 1HB SER 14 2HB SER 14 9.025 -3.733 -1.682 110 2HB SER 14 1HB SER 14 9.303 -2.204 -2.506 111 HG SER 14 HG SER 14 9.766 -1.380 -0.308 112 H ILE 15 HN ILE 15 7.564 0.137 -0.160 113 HA ILE 15 HA ILE 15 6.920 1.460 -2.779 114 HB ILE 15 HB ILE 15 6.714 2.679 -0.019 115 1HG1 ILE 15 2HG1 ILE 15 4.692 1.073 -1.594 116 2HG1 ILE 15 1HG1 ILE 15 5.308 0.748 0.025 117 1HG2 ILE 15 1HG2 ILE 15 6.647 4.360 -1.673 118 2HG2 ILE 15 2HG2 ILE 15 4.941 4.024 -1.376 119 3HG2 ILE 15 3HG2 ILE 15 5.738 3.349 -2.794 120 1HD1 ILE 15 1HD1 ILE 15 4.322 2.997 0.718 121 2HD1 ILE 15 2HD1 ILE 15 3.151 1.733 0.342 122 3HD1 ILE 15 3HD1 ILE 15 3.484 3.002 -0.831 123 H ASP 16 HN ASP 16 8.478 2.732 -3.616 124 HA ASP 16 HA ASP 16 10.833 3.437 -1.919 125 1HB ASP 16 2HB ASP 16 10.439 2.888 -4.854 126 2HB ASP 16 1HB ASP 16 11.868 3.745 -4.274 127 H GLU 17 HN GLU 17 10.625 5.536 -1.225 128 HA GLU 17 HA GLU 17 9.130 7.450 -2.957 129 1HB GLU 17 2HB GLU 17 8.401 7.072 -0.633 130 2HB GLU 17 1HB GLU 17 10.002 7.529 -0.050 131 1HG GLU 17 2HG GLU 17 9.720 9.777 -1.031 132 2HG GLU 17 1HG GLU 17 8.116 9.321 -1.609 133 H LYS 18 HN LYS 18 10.413 8.707 -4.247 134 HA LYS 18 HA LYS 18 13.116 9.511 -3.231 135 1HB LYS 18 2HB LYS 18 12.142 9.665 -6.086 136 2HB LYS 18 1HB LYS 18 13.797 9.527 -5.500 137 1HG LYS 18 2HG LYS 18 12.456 7.257 -4.502 138 2HG LYS 18 1HG LYS 18 11.926 7.423 -6.177 139 1HD LYS 18 2HD LYS 18 13.929 6.098 -6.210 140 2HD LYS 18 1HD LYS 18 14.368 7.699 -6.806 141 1HE LYS 18 2HE LYS 18 15.549 8.244 -4.874 142 2HE LYS 18 1HE LYS 18 14.602 7.135 -3.862 143 1HZ LYS 18 1HZ LYS 18 16.790 6.531 -5.728 144 2HZ LYS 18 2HZ LYS 18 15.571 5.371 -5.496 145 3HZ LYS 18 3HZ LYS 18 16.499 5.908 -4.178 146 HA PRO 19 HA PRO 19 11.490 13.575 -2.661 147 1HB PRO 19 2HB PRO 19 13.906 14.883 -3.326 148 2HB PRO 19 1HB PRO 19 13.396 14.378 -1.705 149 1HG PRO 19 2HG PRO 19 15.244 13.052 -3.603 150 2HG PRO 19 1HG PRO 19 15.258 13.070 -1.833 151 1HD PRO 19 2HD PRO 19 14.477 10.908 -3.225 152 2HD PRO 19 1HD PRO 19 13.728 11.344 -1.671 153 H ASN 20 HN ASN 20 12.937 12.408 -5.594 154 HA ASN 20 HA ASN 20 12.033 14.786 -7.142 155 1HB ASN 20 2HB ASN 20 13.394 12.263 -8.119 156 2HB ASN 20 1HB ASN 20 13.396 13.856 -8.878 157 1HD2 ASN 20 1HD2 ASN 20 14.689 12.007 -6.122 158 2HD2 ASN 20 2HD2 ASN 20 15.947 13.089 -5.771 159 H PHE 21 HN PHE 21 11.324 11.353 -6.659 160 HA PHE 21 HA PHE 21 8.707 11.657 -7.999 161 1HB PHE 21 2HB PHE 21 10.900 9.815 -9.011 162 2HB PHE 21 1HB PHE 21 9.248 9.855 -9.625 163 HD1 PHE 21 HD1 PHE 21 8.364 12.141 -10.493 164 HD2 PHE 21 HD2 PHE 21 12.530 11.246 -9.920 165 HE1 PHE 21 HE1 PHE 21 8.974 13.994 -12.027 166 HE2 PHE 21 HE2 PHE 21 13.139 13.100 -11.453 167 HZ PHE 21 HZ PHE 21 11.361 14.474 -12.507 168 H ARG 22 HN ARG 22 7.265 9.906 -7.424 169 HA ARG 22 HA ARG 22 8.200 8.273 -5.134 170 1HB ARG 22 2HB ARG 22 6.070 9.530 -5.040 171 2HB ARG 22 1HB ARG 22 5.482 8.608 -6.420 172 1HG ARG 22 2HG ARG 22 5.680 6.522 -5.137 173 2HG ARG 22 1HG ARG 22 6.297 7.426 -3.753 174 1HD ARG 22 2HD ARG 22 4.177 8.698 -3.629 175 2HD ARG 22 1HD ARG 22 3.552 7.785 -5.015 176 HE ARG 22 HE ARG 22 4.363 5.797 -3.295 177 1HH1 ARG 22 1HH1 ARG 22 2.408 8.630 -2.978 178 2HH1 ARG 22 2HH1 ARG 22 1.394 7.949 -1.752 179 1HH2 ARG 22 1HH2 ARG 22 3.041 4.900 -1.695 180 2HH2 ARG 22 2HH2 ARG 22 1.750 5.843 -1.027 181 H THR 23 HN THR 23 8.287 6.050 -5.203 182 HA THR 23 HA THR 23 7.966 4.749 -7.880 183 HB THR 23 HB THR 23 10.133 4.463 -5.768 184 HG1 THR 23 HG1 THR 23 10.560 5.290 -8.403 185 1HG2 THR 23 1HG2 THR 23 11.173 3.206 -7.866 186 2HG2 THR 23 2HG2 THR 23 9.475 2.944 -8.263 187 3HG2 THR 23 3HG2 THR 23 10.124 2.357 -6.732 188 H HIS 24 HN HIS 24 6.994 2.697 -7.802 189 HA HIS 24 HA HIS 24 6.488 1.553 -5.085 190 1HB HIS 24 2HB HIS 24 4.695 2.535 -7.159 191 2HB HIS 24 1HB HIS 24 4.330 0.871 -6.697 192 HD1 HIS 24 HD1 HIS 24 3.137 3.977 -5.811 193 HD2 HIS 24 HD2 HIS 24 4.861 0.967 -3.497 194 HE1 HIS 24 HE1 HIS 24 2.452 4.421 -3.410 195 H VAL 25 HN VAL 25 6.752 -0.667 -4.938 196 HA VAL 25 HA VAL 25 7.451 -2.102 -7.472 197 HB VAL 25 HB VAL 25 8.441 -2.725 -4.694 198 1HG1 VAL 25 1HG1 VAL 25 9.802 -3.182 -7.347 199 2HG1 VAL 25 2HG1 VAL 25 8.649 -4.340 -6.683 200 3HG1 VAL 25 3HG1 VAL 25 10.129 -3.966 -5.802 201 1HG2 VAL 25 1HG2 VAL 25 9.281 -0.576 -6.589 202 2HG2 VAL 25 2HG2 VAL 25 10.554 -1.460 -5.747 203 3HG2 VAL 25 3HG2 VAL 25 9.323 -0.594 -4.826 204 H VAL 26 HN VAL 26 6.296 -3.905 -7.890 205 HA VAL 26 HA VAL 26 4.514 -4.997 -5.737 206 HB VAL 26 HB VAL 26 3.058 -5.623 -7.642 207 1HG1 VAL 26 1HG1 VAL 26 3.893 -2.870 -7.017 208 2HG1 VAL 26 2HG1 VAL 26 2.272 -3.561 -7.097 209 3HG1 VAL 26 3HG1 VAL 26 3.081 -3.033 -8.571 210 1HG2 VAL 26 1HG2 VAL 26 4.945 -5.951 -9.259 211 2HG2 VAL 26 2HG2 VAL 26 5.132 -4.200 -9.340 212 3HG2 VAL 26 3HG2 VAL 26 3.645 -4.956 -9.912 213 H GLU 27 HN GLU 27 3.998 -7.407 -6.201 214 HA GLU 27 HA GLU 27 6.525 -8.834 -6.898 215 1HB GLU 27 2HB GLU 27 5.088 -8.787 -4.616 216 2HB GLU 27 1HB GLU 27 4.216 -10.049 -5.479 217 1HG GLU 27 2HG GLU 27 6.098 -11.457 -5.590 218 2HG GLU 27 1HG GLU 27 7.216 -10.131 -5.266 219 H LEU 28 HN LEU 28 6.391 -9.681 -8.938 220 HA LEU 28 HA LEU 28 3.801 -9.968 -10.237 221 1HB LEU 28 2HB LEU 28 6.234 -9.163 -10.991 222 2HB LEU 28 1HB LEU 28 6.395 -10.862 -11.422 223 HG LEU 28 HG LEU 28 4.481 -10.738 -12.898 224 1HD1 LEU 28 1HD1 LEU 28 3.685 -8.110 -13.063 225 2HD1 LEU 28 2HD1 LEU 28 3.954 -8.297 -11.330 226 3HD1 LEU 28 3HD1 LEU 28 2.823 -9.359 -12.166 227 1HD2 LEU 28 1HD2 LEU 28 5.248 -9.001 -14.494 228 2HD2 LEU 28 2HD2 LEU 28 6.608 -9.899 -13.821 229 3HD2 LEU 28 3HD2 LEU 28 6.238 -8.284 -13.223 230 HA PRO 29 HA PRO 29 3.379 -14.259 -9.136 231 1HB PRO 29 2HB PRO 29 1.298 -14.789 -10.847 232 2HB PRO 29 1HB PRO 29 1.106 -14.013 -9.266 233 1HG PRO 29 2HG PRO 29 1.173 -12.794 -11.975 234 2HG PRO 29 1HG PRO 29 0.198 -12.357 -10.563 235 1HD PRO 29 2HD PRO 29 2.388 -10.963 -11.336 236 2HD PRO 29 1HD PRO 29 1.865 -11.081 -9.643 237 H ASP 30 HN ASP 30 3.109 -16.377 -10.512 238 HA ASP 30 HA ASP 30 5.439 -16.680 -12.061 239 1HB ASP 30 2HB ASP 30 2.867 -18.266 -11.855 240 2HB ASP 30 1HB ASP 30 4.301 -18.871 -12.685 241 H HIS 31 HN HIS 31 2.076 -16.181 -13.186 242 HA HIS 31 HA HIS 31 2.950 -16.456 -15.982 243 1HB HIS 31 2HB HIS 31 0.558 -16.326 -16.439 244 2HB HIS 31 1HB HIS 31 0.833 -17.408 -15.080 245 HD1 HIS 31 HD1 HIS 31 1.364 -14.468 -13.388 246 HD2 HIS 31 HD2 HIS 31 -2.079 -16.041 -15.129 247 HE1 HIS 31 HE1 HIS 31 -0.601 -13.346 -12.245 248 H MET 32 HN MET 32 3.113 -13.948 -13.844 249 HA MET 32 HA MET 32 2.798 -11.928 -16.045 250 1HB MET 32 2HB MET 32 2.615 -11.726 -13.027 251 2HB MET 32 1HB MET 32 2.688 -10.312 -14.077 252 1HG MET 32 2HG MET 32 0.590 -12.497 -14.211 253 2HG MET 32 1HG MET 32 0.349 -10.885 -13.537 254 1HE MET 32 1HE MET 32 1.881 -8.943 -15.360 255 2HE MET 32 2HE MET 32 0.249 -8.773 -14.720 256 3HE MET 32 3HE MET 32 0.551 -8.484 -16.432 257 H LEU 33 HN LEU 33 4.980 -13.635 -14.050 258 HA LEU 33 HA LEU 33 7.117 -11.687 -13.857 259 1HB LEU 33 2HB LEU 33 6.792 -14.668 -13.595 260 2HB LEU 33 1HB LEU 33 8.402 -13.948 -13.546 261 HG LEU 33 HG LEU 33 6.174 -12.872 -11.819 262 1HD1 LEU 33 1HD1 LEU 33 7.490 -14.343 -10.042 263 2HD1 LEU 33 2HD1 LEU 33 7.837 -15.340 -11.455 264 3HD1 LEU 33 3HD1 LEU 33 6.166 -15.038 -10.978 265 1HD2 LEU 33 1HD2 LEU 33 7.875 -11.762 -10.710 266 2HD2 LEU 33 2HD2 LEU 33 8.556 -11.822 -12.337 267 3HD2 LEU 33 3HD2 LEU 33 9.080 -12.984 -11.118 268 H ASP 34 HN ASP 34 6.293 -14.259 -16.162 269 HA ASP 34 HA ASP 34 8.692 -13.969 -17.755 270 1HB ASP 34 2HB ASP 34 5.979 -15.257 -18.034 271 2HB ASP 34 1HB ASP 34 7.153 -15.324 -19.352 272 H GLY 35 HN GLY 35 8.987 -12.776 -19.658 273 1HA GLY 35 2HA GLY 35 8.271 -11.560 -21.582 274 2HA GLY 35 1HA GLY 35 6.663 -11.433 -20.875 275 H LEU 36 HN LEU 36 7.455 -10.327 -18.336 276 HA LEU 36 HA LEU 36 7.537 -7.555 -19.159 277 1HB LEU 36 2HB LEU 36 6.228 -8.496 -17.264 278 2HB LEU 36 1HB LEU 36 7.739 -8.838 -16.418 279 HG LEU 36 HG LEU 36 8.310 -6.431 -16.476 280 1HD1 LEU 36 1HD1 LEU 36 6.113 -5.007 -17.043 281 2HD1 LEU 36 2HD1 LEU 36 5.813 -6.377 -18.112 282 3HD1 LEU 36 3HD1 LEU 36 7.290 -5.429 -18.287 283 1HD2 LEU 36 1HD2 LEU 36 6.489 -5.665 -14.919 284 2HD2 LEU 36 2HD2 LEU 36 7.137 -7.254 -14.512 285 3HD2 LEU 36 3HD2 LEU 36 5.584 -7.119 -15.337 286 H GLU 37 HN GLU 37 9.167 -6.013 -18.769 287 HA GLU 37 HA GLU 37 11.734 -6.874 -17.557 288 1HB GLU 37 2HB GLU 37 12.986 -6.278 -19.555 289 2HB GLU 37 1HB GLU 37 11.725 -7.416 -20.031 290 1HG GLU 37 2HG GLU 37 10.289 -5.535 -20.732 291 2HG GLU 37 1HG GLU 37 11.551 -4.396 -20.262 292 H THR 38 HN THR 38 13.194 -4.881 -17.302 293 HA THR 38 HA THR 38 11.720 -2.666 -16.222 294 HB THR 38 HB THR 38 14.261 -1.757 -16.727 295 HG1 THR 38 HG1 THR 38 15.298 -3.435 -17.438 296 1HG2 THR 38 1HG2 THR 38 14.686 -2.967 -14.411 297 2HG2 THR 38 2HG2 THR 38 12.950 -3.258 -14.513 298 3HG2 THR 38 3HG2 THR 38 13.569 -1.609 -14.536 299 H GLY 39 HN GLY 39 11.384 -0.561 -17.125 300 1HA GLY 39 2HA GLY 39 11.272 1.078 -18.843 301 2HA GLY 39 1HA GLY 39 12.204 0.009 -19.889 302 H ALA 40 HN ALA 40 10.018 -2.037 -18.714 303 HA ALA 40 HA ALA 40 8.309 -1.997 -21.075 304 1HB ALA 40 1HB ALA 40 8.346 -3.494 -18.437 305 2HB ALA 40 2HB ALA 40 8.977 -4.063 -19.984 306 3HB ALA 40 3HB ALA 40 7.237 -3.878 -19.757 307 H SER 41 HN SER 41 5.959 -1.532 -21.027 308 HA SER 41 HA SER 41 5.205 0.308 -18.826 309 1HB SER 41 2HB SER 41 3.205 0.212 -20.727 310 2HB SER 41 1HB SER 41 4.480 1.385 -20.654 311 HG SER 41 HG SER 41 5.578 0.346 -22.178 312 H VAL 42 HN VAL 42 4.352 -0.809 -17.134 313 HA VAL 42 HA VAL 42 2.553 -3.142 -17.592 314 HB VAL 42 HB VAL 42 4.143 -1.952 -15.353 315 1HG1 VAL 42 1HG1 VAL 42 2.272 -1.914 -14.050 316 2HG1 VAL 42 2HG1 VAL 42 2.681 -3.622 -13.885 317 3HG1 VAL 42 3HG1 VAL 42 1.431 -3.118 -15.023 318 1HG2 VAL 42 1HG2 VAL 42 3.513 -4.798 -15.364 319 2HG2 VAL 42 2HG2 VAL 42 5.089 -4.004 -15.358 320 3HG2 VAL 42 3HG2 VAL 42 4.232 -4.255 -16.881 321 H ALA 43 HN ALA 43 0.373 -2.810 -17.576 322 HA ALA 43 HA ALA 43 -0.659 -0.153 -16.732 323 1HB ALA 43 1HB ALA 43 -1.478 -0.920 -18.849 324 2HB ALA 43 2HB ALA 43 -2.794 -1.187 -17.707 325 3HB ALA 43 3HB ALA 43 -1.783 -2.538 -18.218 326 H HIS 44 HN HIS 44 -1.279 -0.011 -14.621 327 HA HIS 44 HA HIS 44 -1.886 -2.473 -13.082 328 1HB HIS 44 2HB HIS 44 -1.317 0.427 -12.534 329 2HB HIS 44 1HB HIS 44 -2.159 -0.512 -11.305 330 HD1 HIS 44 HD1 HIS 44 0.515 -2.093 -13.489 331 HD2 HIS 44 HD2 HIS 44 0.074 -0.639 -9.592 332 HE1 HIS 44 HE1 HIS 44 2.571 -2.825 -12.198 333 HE2 HIS 44 HE2 HIS 44 2.315 -1.931 -9.848 334 H ASN 45 HN ASN 45 -3.930 -3.155 -13.523 335 HA ASN 45 HA ASN 45 -6.244 -3.171 -13.828 336 1HB ASN 45 2HB ASN 45 -5.801 -1.662 -11.651 337 2HB ASN 45 1HB ASN 45 -6.510 -0.433 -12.702 338 1HD2 ASN 45 1HD2 ASN 45 -7.215 -3.263 -10.797 339 2HD2 ASN 45 2HD2 ASN 45 -8.852 -3.382 -11.192 340 H GLY 46 HN GLY 46 -4.171 -1.270 -15.508 341 1HA GLY 46 2HA GLY 46 -5.000 -0.975 -17.863 342 2HA GLY 46 1HA GLY 46 -6.380 -0.135 -17.162 343 H CYS 47 HN CYS 47 -3.855 0.832 -15.260 344 HA CYS 47 HA CYS 47 -3.487 3.321 -16.860 345 1HB CYS 47 2HB CYS 47 -4.137 3.300 -14.402 346 2HB CYS 47 1HB CYS 47 -2.545 2.627 -14.057 347 HG CYS 47 HG CYS 47 -1.483 4.842 -14.507 348 H CYS 48 HN CYS 48 -1.819 3.059 -18.347 349 HA CYS 48 HA CYS 48 0.310 1.161 -18.018 350 1HB CYS 48 2HB CYS 48 1.206 2.358 -20.039 351 2HB CYS 48 1HB CYS 48 -0.491 1.903 -20.191 352 HG CYS 48 HG CYS 48 -0.133 4.732 -19.091 353 H LEU 49 HN LEU 49 2.182 1.360 -16.922 354 HA LEU 49 HA LEU 49 3.467 4.019 -16.702 355 1HB LEU 49 2HB LEU 49 3.934 3.427 -14.241 356 2HB LEU 49 1HB LEU 49 2.281 3.903 -14.631 357 HG LEU 49 HG LEU 49 2.709 1.041 -15.001 358 1HD1 LEU 49 1HD1 LEU 49 4.061 0.753 -13.194 359 2HD1 LEU 49 2HD1 LEU 49 2.584 1.019 -12.265 360 3HD1 LEU 49 3HD1 LEU 49 3.700 2.357 -12.553 361 1HD2 LEU 49 1HD2 LEU 49 0.862 1.986 -12.913 362 2HD2 LEU 49 2HD2 LEU 49 0.524 1.024 -14.352 363 3HD2 LEU 49 3HD2 LEU 49 0.620 2.781 -14.469 364 H THR 50 HN THR 50 5.818 3.772 -16.287 365 HA THR 50 HA THR 50 6.731 1.273 -17.577 366 HB THR 50 HB THR 50 8.041 3.955 -17.046 367 HG1 THR 50 HG1 THR 50 6.876 4.444 -18.708 368 1HG2 THR 50 1HG2 THR 50 9.807 2.356 -17.239 369 2HG2 THR 50 2HG2 THR 50 9.657 3.095 -18.831 370 3HG2 THR 50 3HG2 THR 50 8.982 1.494 -18.536 371 H VAL 51 HN VAL 51 8.429 0.003 -16.810 372 HA VAL 51 HA VAL 51 8.660 -0.252 -13.925 373 HB VAL 51 HB VAL 51 10.224 -1.583 -16.166 374 1HG1 VAL 51 1HG1 VAL 51 11.215 -2.497 -14.339 375 2HG1 VAL 51 2HG1 VAL 51 9.742 -3.462 -14.250 376 3HG1 VAL 51 3HG1 VAL 51 9.908 -2.009 -13.262 377 1HG2 VAL 51 1HG2 VAL 51 7.395 -1.813 -15.296 378 2HG2 VAL 51 2HG2 VAL 51 8.252 -3.329 -15.583 379 3HG2 VAL 51 3HG2 VAL 51 8.126 -2.129 -16.871 380 H THR 52 HN THR 52 9.996 1.111 -12.787 381 HA THR 52 HA THR 52 12.314 2.468 -13.901 382 HB THR 52 HB THR 52 12.639 3.122 -11.564 383 HG1 THR 52 HG1 THR 52 12.304 1.342 -10.401 384 1HG2 THR 52 1HG2 THR 52 10.919 4.521 -11.866 385 2HG2 THR 52 2HG2 THR 52 9.819 3.279 -11.267 386 3HG2 THR 52 3HG2 THR 52 10.170 3.390 -12.992 387 H GLU 53 HN GLU 53 11.756 -0.445 -11.935 388 HA GLU 53 HA GLU 53 14.327 -1.584 -12.828 389 1HB GLU 53 2HB GLU 53 14.950 -0.014 -11.020 390 2HB GLU 53 1HB GLU 53 13.810 -0.813 -9.937 391 1HG GLU 53 2HG GLU 53 15.064 -2.924 -10.165 392 2HG GLU 53 1HG GLU 53 16.207 -2.129 -11.250 393 H ILE 54 HN ILE 54 14.497 -3.849 -12.196 394 HA ILE 54 HA ILE 54 11.915 -5.025 -11.195 395 HB ILE 54 HB ILE 54 14.154 -6.051 -12.972 396 1HG1 ILE 54 2HG1 ILE 54 11.293 -6.180 -13.728 397 2HG1 ILE 54 1HG1 ILE 54 11.971 -4.559 -13.605 398 1HG2 ILE 54 1HG2 ILE 54 12.450 -8.055 -13.117 399 2HG2 ILE 54 2HG2 ILE 54 11.946 -7.486 -11.525 400 3HG2 ILE 54 3HG2 ILE 54 13.613 -7.992 -11.794 401 1HD1 ILE 54 1HD1 ILE 54 13.309 -4.841 -15.434 402 2HD1 ILE 54 2HD1 ILE 54 12.168 -6.126 -15.835 403 3HD1 ILE 54 3HD1 ILE 54 13.681 -6.514 -15.016 404 H ASN 55 HN ASN 55 11.996 -5.972 -9.246 405 HA ASN 55 HA ASN 55 14.649 -6.367 -7.936 406 1HB ASN 55 2HB ASN 55 11.829 -5.802 -7.096 407 2HB ASN 55 1HB ASN 55 12.886 -6.628 -5.949 408 1HD2 ASN 55 1HD2 ASN 55 12.570 -3.637 -7.886 409 2HD2 ASN 55 2HD2 ASN 55 13.636 -2.719 -6.936 410 H GLY 56 HN GLY 56 14.500 -8.363 -9.606 411 1HA GLY 56 2HA GLY 56 14.490 -10.737 -9.665 412 2HA GLY 56 1HA GLY 56 13.818 -10.746 -8.032 413 H ASN 57 HN ASN 57 11.738 -11.462 -7.942 414 HA ASN 57 HA ASN 57 10.070 -11.565 -10.338 415 1HB ASN 57 2HB ASN 57 8.937 -13.078 -9.077 416 2HB ASN 57 1HB ASN 57 10.241 -12.896 -7.928 417 1HD2 ASN 57 1HD2 ASN 57 7.210 -11.296 -8.828 418 2HD2 ASN 57 2HD2 ASN 57 6.741 -10.880 -7.251 419 H HIS 58 HN HIS 58 10.747 -9.319 -7.809 420 HA HIS 58 HA HIS 58 8.226 -7.892 -7.832 421 1HB HIS 58 2HB HIS 58 11.024 -7.457 -6.830 422 2HB HIS 58 1HB HIS 58 9.860 -6.138 -6.759 423 HD1 HIS 58 HD1 HIS 58 11.117 -8.380 -4.498 424 HD2 HIS 58 HD2 HIS 58 7.190 -7.623 -5.682 425 HE1 HIS 58 HE1 HIS 58 9.625 -9.193 -2.621 426 H VAL 59 HN VAL 59 7.973 -5.682 -8.654 427 HA VAL 59 HA VAL 59 10.035 -4.787 -10.581 428 HB VAL 59 HB VAL 59 7.103 -5.251 -11.163 429 1HG1 VAL 59 1HG1 VAL 59 8.999 -3.291 -12.261 430 2HG1 VAL 59 2HG1 VAL 59 7.242 -3.358 -12.415 431 3HG1 VAL 59 3HG1 VAL 59 8.261 -4.319 -13.488 432 1HG2 VAL 59 1HG2 VAL 59 8.006 -7.181 -11.937 433 2HG2 VAL 59 2HG2 VAL 59 9.651 -6.562 -11.758 434 3HG2 VAL 59 3HG2 VAL 59 8.726 -6.204 -13.219 435 H SER 60 HN SER 60 10.508 -2.729 -10.027 436 HA SER 60 HA SER 60 8.646 -1.093 -8.418 437 1HB SER 60 2HB SER 60 11.436 -0.538 -9.474 438 2HB SER 60 1HB SER 60 10.616 0.323 -8.176 439 HG SER 60 HG SER 60 12.173 -1.672 -7.861 440 H PHE 61 HN PHE 61 7.348 0.461 -9.424 441 HA PHE 61 HA PHE 61 8.157 1.357 -12.167 442 1HB PHE 61 2HB PHE 61 5.549 1.606 -12.373 443 2HB PHE 61 1HB PHE 61 6.267 0.003 -12.513 444 HD1 PHE 61 HD1 PHE 61 4.014 2.117 -10.621 445 HD2 PHE 61 HD2 PHE 61 6.343 -1.493 -10.464 446 HE1 PHE 61 HE1 PHE 61 2.670 1.331 -8.686 447 HE2 PHE 61 HE2 PHE 61 5.002 -2.277 -8.531 448 HZ PHE 61 HZ PHE 61 3.164 -0.866 -7.641 449 H ASP 62 HN ASP 62 7.673 3.576 -12.663 450 HA ASP 62 HA ASP 62 7.949 5.259 -10.260 451 1HB ASP 62 2HB ASP 62 8.486 6.986 -11.964 452 2HB ASP 62 1HB ASP 62 9.390 5.501 -12.242 453 H LEU 63 HN LEU 63 6.739 7.157 -9.841 454 HA LEU 63 HA LEU 63 4.070 7.471 -11.089 455 1HB LEU 63 2HB LEU 63 4.743 5.840 -8.778 456 2HB LEU 63 1HB LEU 63 3.604 7.100 -8.343 457 HG LEU 63 HG LEU 63 3.017 5.698 -10.882 458 1HD1 LEU 63 1HD1 LEU 63 2.103 3.715 -9.723 459 2HD1 LEU 63 2HD1 LEU 63 2.752 4.314 -8.196 460 3HD1 LEU 63 3HD1 LEU 63 3.850 3.837 -9.493 461 1HD2 LEU 63 1HD2 LEU 63 0.942 5.717 -8.842 462 2HD2 LEU 63 2HD2 LEU 63 0.955 6.517 -10.413 463 3HD2 LEU 63 3HD2 LEU 63 1.665 7.316 -9.011 464 H MET 64 HN MET 64 4.446 9.759 -11.331 465 HA MET 64 HA MET 64 5.737 11.404 -9.358 466 1HB MET 64 2HB MET 64 5.227 11.934 -11.788 467 2HB MET 64 1HB MET 64 3.551 12.196 -11.308 468 1HG MET 64 2HG MET 64 4.282 13.928 -9.703 469 2HG MET 64 1HG MET 64 5.954 13.679 -10.204 470 1HE MET 64 1HE MET 64 7.009 14.461 -12.368 471 2HE MET 64 2HE MET 64 6.094 14.789 -13.837 472 3HE MET 64 3HE MET 64 6.008 13.195 -13.092 473 H LYS 65 HN LYS 65 4.876 12.422 -7.516 474 HA LYS 65 HA LYS 65 2.725 11.185 -6.195 475 1HB LYS 65 2HB LYS 65 4.539 12.483 -5.131 476 2HB LYS 65 1HB LYS 65 3.876 13.969 -5.816 477 1HG LYS 65 2HG LYS 65 1.767 13.601 -4.589 478 2HG LYS 65 1HG LYS 65 2.426 12.118 -3.899 479 1HD LYS 65 2HD LYS 65 4.265 13.456 -2.872 480 2HD LYS 65 1HD LYS 65 3.498 14.923 -3.483 481 1HE LYS 65 2HE LYS 65 1.383 14.167 -2.235 482 2HE LYS 65 1HE LYS 65 2.426 12.990 -1.413 483 1HZ LYS 65 1HZ LYS 65 2.188 15.335 -0.402 484 2HZ LYS 65 2HZ LYS 65 3.250 15.811 -1.639 485 3HZ LYS 65 3HZ LYS 65 3.735 14.646 -0.502 486 H GLU 66 HN GLU 66 2.729 14.366 -7.862 487 HA GLU 66 HA GLU 66 -0.071 14.896 -7.431 488 1HB GLU 66 2HB GLU 66 1.629 16.581 -8.059 489 2HB GLU 66 1HB GLU 66 1.854 15.780 -9.614 490 1HG GLU 66 2HG GLU 66 -0.510 16.211 -10.182 491 2HG GLU 66 1HG GLU 66 -0.735 17.016 -8.628 492 H THR 67 HN THR 67 1.709 13.266 -10.060 493 HA THR 67 HA THR 67 -0.567 12.696 -11.739 494 HB THR 67 HB THR 67 2.008 11.170 -11.229 495 HG1 THR 67 HG1 THR 67 1.292 13.195 -13.079 496 1HG2 THR 67 1HG2 THR 67 -0.249 10.818 -13.109 497 2HG2 THR 67 2HG2 THR 67 0.910 9.634 -12.505 498 3HG2 THR 67 3HG2 THR 67 1.359 10.715 -13.825 499 H LEU 68 HN LEU 68 0.904 11.028 -8.972 500 HA LEU 68 HA LEU 68 -0.664 8.661 -8.977 501 1HB LEU 68 2HB LEU 68 1.407 9.094 -7.691 502 2HB LEU 68 1HB LEU 68 0.563 10.309 -6.736 503 HG LEU 68 HG LEU 68 -1.094 8.416 -6.148 504 1HD1 LEU 68 1HD1 LEU 68 1.277 6.861 -7.222 505 2HD1 LEU 68 2HD1 LEU 68 -0.387 6.784 -7.801 506 3HD1 LEU 68 3HD1 LEU 68 0.023 6.154 -6.207 507 1HD2 LEU 68 1HD2 LEU 68 1.239 9.383 -4.984 508 2HD2 LEU 68 2HD2 LEU 68 1.440 7.631 -4.913 509 3HD2 LEU 68 3HD2 LEU 68 0.025 8.388 -4.178 510 H ARG 69 HN ARG 69 -1.181 11.859 -7.518 511 HA ARG 69 HA ARG 69 -3.753 11.308 -6.310 512 1HB ARG 69 2HB ARG 69 -2.287 13.792 -7.246 513 2HB ARG 69 1HB ARG 69 -3.826 13.860 -6.392 514 1HG ARG 69 2HG ARG 69 -2.828 12.635 -4.494 515 2HG ARG 69 1HG ARG 69 -1.285 12.576 -5.349 516 1HD ARG 69 2HD ARG 69 -1.206 14.452 -3.795 517 2HD ARG 69 1HD ARG 69 -1.351 15.121 -5.432 518 HE ARG 69 HE ARG 69 -3.967 14.622 -4.350 519 1HH1 ARG 69 1HH1 ARG 69 -1.229 16.721 -4.120 520 2HH1 ARG 69 2HH1 ARG 69 -2.158 18.082 -3.591 521 1HH2 ARG 69 1HH2 ARG 69 -5.184 16.395 -3.659 522 2HH2 ARG 69 2HH2 ARG 69 -4.391 17.899 -3.330 523 H ILE 70 HN ILE 70 -2.715 12.595 -9.468 524 HA ILE 70 HA ILE 70 -5.279 13.377 -10.397 525 HB ILE 70 HB ILE 70 -2.642 13.525 -11.161 526 1HG1 ILE 70 2HG1 ILE 70 -4.900 14.127 -13.060 527 2HG1 ILE 70 1HG1 ILE 70 -4.671 15.044 -11.570 528 1HG2 ILE 70 1HG2 ILE 70 -2.648 12.698 -13.553 529 2HG2 ILE 70 2HG2 ILE 70 -4.091 11.767 -13.151 530 3HG2 ILE 70 3HG2 ILE 70 -2.568 11.427 -12.335 531 1HD1 ILE 70 1HD1 ILE 70 -3.245 15.277 -14.072 532 2HD1 ILE 70 2HD1 ILE 70 -2.122 14.876 -12.771 533 3HD1 ILE 70 3HD1 ILE 70 -3.147 16.305 -12.641 534 H THR 71 HN THR 71 -3.445 10.379 -10.811 535 HA THR 71 HA THR 71 -5.672 9.027 -12.175 536 HB THR 71 HB THR 71 -4.097 7.203 -12.315 537 HG1 THR 71 HG1 THR 71 -2.275 8.535 -10.663 538 1HG2 THR 71 1HG2 THR 71 -3.613 9.450 -13.552 539 2HG2 THR 71 2HG2 THR 71 -2.363 8.206 -13.514 540 3HG2 THR 71 3HG2 THR 71 -2.271 9.584 -12.416 541 H ASN 72 HN ASN 72 -5.880 6.636 -11.056 542 HA ASN 72 HA ASN 72 -6.574 7.110 -8.191 543 1HB ASN 72 2HB ASN 72 -8.464 6.354 -9.370 544 2HB ASN 72 1HB ASN 72 -7.510 5.319 -10.422 545 1HD2 ASN 72 1HD2 ASN 72 -8.726 3.397 -9.957 546 2HD2 ASN 72 2HD2 ASN 72 -8.677 2.642 -8.436 547 H LEU 73 HN LEU 73 -3.859 6.571 -9.556 548 HA LEU 73 HA LEU 73 -3.030 3.898 -8.758 549 1HB LEU 73 2HB LEU 73 -1.596 6.508 -9.340 550 2HB LEU 73 1HB LEU 73 -0.761 4.978 -9.077 551 HG LEU 73 HG LEU 73 -2.848 5.455 -11.237 552 1HD1 LEU 73 1HD1 LEU 73 0.154 5.130 -11.501 553 2HD1 LEU 73 2HD1 LEU 73 -0.670 6.688 -11.539 554 3HD1 LEU 73 3HD1 LEU 73 -0.995 5.488 -12.789 555 1HD2 LEU 73 1HD2 LEU 73 -1.418 3.248 -11.949 556 2HD2 LEU 73 2HD2 LEU 73 -2.932 3.175 -11.048 557 3HD2 LEU 73 3HD2 LEU 73 -1.392 3.089 -10.193 558 H GLY 74 HN GLY 74 -2.910 7.127 -7.235 559 1HA GLY 74 2HA GLY 74 -1.316 6.661 -5.033 560 2HA GLY 74 1HA GLY 74 -2.727 7.706 -4.971 561 H ASP 75 HN ASP 75 -4.426 5.265 -5.676 562 HA ASP 75 HA ASP 75 -5.241 4.705 -2.993 563 1HB ASP 75 2HB ASP 75 -6.866 3.295 -4.101 564 2HB ASP 75 1HB ASP 75 -6.581 4.696 -5.135 565 H LEU 76 HN LEU 76 -2.827 3.241 -4.986 566 HA LEU 76 HA LEU 76 -2.890 0.547 -4.061 567 1HB LEU 76 2HB LEU 76 -0.627 2.334 -4.966 568 2HB LEU 76 1HB LEU 76 -0.499 0.586 -4.805 569 HG LEU 76 HG LEU 76 -2.588 1.943 -6.523 570 1HD1 LEU 76 1HD1 LEU 76 -0.294 0.493 -7.742 571 2HD1 LEU 76 2HD1 LEU 76 0.051 2.087 -7.073 572 3HD1 LEU 76 3HD1 LEU 76 -1.174 1.905 -8.329 573 1HD2 LEU 76 1HD2 LEU 76 -2.223 -0.710 -5.564 574 2HD2 LEU 76 2HD2 LEU 76 -1.829 -0.727 -7.283 575 3HD2 LEU 76 3HD2 LEU 76 -3.405 -0.146 -6.747 576 H LYS 77 HN LYS 77 -1.962 -0.459 -2.334 577 HA LYS 77 HA LYS 77 -0.267 1.093 -0.441 578 1HB LYS 77 2HB LYS 77 -2.827 -0.411 0.191 579 2HB LYS 77 1HB LYS 77 -1.678 0.101 1.427 580 1HG LYS 77 2HG LYS 77 -1.944 2.446 0.707 581 2HG LYS 77 1HG LYS 77 -3.096 1.936 -0.528 582 1HD LYS 77 2HD LYS 77 -4.578 1.029 1.225 583 2HD LYS 77 1HD LYS 77 -3.429 1.542 2.461 584 1HE LYS 77 2HE LYS 77 -3.821 3.849 2.025 585 2HE LYS 77 1HE LYS 77 -4.628 3.500 0.484 586 1HZ LYS 77 1HZ LYS 77 -6.429 2.501 1.577 587 2HZ LYS 77 2HZ LYS 77 -6.130 3.918 2.466 588 3HZ LYS 77 3HZ LYS 77 -5.608 2.413 3.058 589 H VAL 78 HN VAL 78 1.291 -0.268 0.563 590 HA VAL 78 HA VAL 78 1.934 -2.698 -0.788 591 HB VAL 78 HB VAL 78 2.789 -1.687 1.943 592 1HG1 VAL 78 1HG1 VAL 78 3.387 -4.088 0.576 593 2HG1 VAL 78 2HG1 VAL 78 4.215 -3.432 1.991 594 3HG1 VAL 78 3HG1 VAL 78 4.803 -3.046 0.370 595 1HG2 VAL 78 1HG2 VAL 78 3.777 -0.010 0.820 596 2HG2 VAL 78 2HG2 VAL 78 3.139 -0.632 -0.702 597 3HG2 VAL 78 3HG2 VAL 78 4.698 -1.197 -0.103 598 H GLY 79 HN GLY 79 1.687 -4.862 -0.132 599 1HA GLY 79 2HA GLY 79 0.810 -6.644 1.221 600 2HA GLY 79 1HA GLY 79 -0.001 -5.442 2.227 601 H ASP 80 HN ASP 80 -0.684 -4.145 -0.556 602 HA ASP 80 HA ASP 80 -3.213 -5.670 -0.958 603 1HB ASP 80 2HB ASP 80 -3.023 -3.131 -0.583 604 2HB ASP 80 1HB ASP 80 -2.324 -3.055 -2.198 605 H TRP 81 HN TRP 81 -3.846 -5.956 -3.324 606 HA TRP 81 HA TRP 81 -1.413 -6.485 -5.001 607 1HB TRP 81 2HB TRP 81 -4.051 -7.938 -4.704 608 2HB TRP 81 1HB TRP 81 -2.966 -8.236 -6.057 609 HD1 TRP 81 HD1 TRP 81 -2.324 -7.834 -2.249 610 HE1 TRP 81 HE1 TRP 81 -0.840 -9.787 -1.484 611 HE3 TRP 81 HE3 TRP 81 -1.876 -10.378 -6.657 612 HZ2 TRP 81 HZ2 TRP 81 0.370 -12.134 -2.585 613 HZ3 TRP 81 HZ3 TRP 81 -0.554 -12.473 -6.770 614 HH2 TRP 81 HH2 TRP 81 0.570 -13.353 -4.739 615 H VAL 82 HN VAL 82 -1.934 -6.364 -7.392 616 HA VAL 82 HA VAL 82 -4.030 -4.325 -8.009 617 HB VAL 82 HB VAL 82 -2.000 -3.097 -7.930 618 1HG1 VAL 82 1HG1 VAL 82 -0.047 -4.265 -9.420 619 2HG1 VAL 82 2HG1 VAL 82 -0.846 -5.689 -8.752 620 3HG1 VAL 82 3HG1 VAL 82 -0.190 -4.457 -7.672 621 1HG2 VAL 82 1HG2 VAL 82 -3.248 -3.316 -10.312 622 2HG2 VAL 82 2HG2 VAL 82 -1.652 -3.920 -10.766 623 3HG2 VAL 82 3HG2 VAL 82 -1.823 -2.302 -10.080 624 H ASN 83 HN ASN 83 -4.750 -4.400 -10.227 625 HA ASN 83 HA ASN 83 -4.538 -7.007 -11.588 626 1HB ASN 83 2HB ASN 83 -6.172 -4.570 -11.626 627 2HB ASN 83 1HB ASN 83 -5.797 -5.143 -13.238 628 1HD2 ASN 83 1HD2 ASN 83 -8.201 -5.674 -13.311 629 2HD2 ASN 83 2HD2 ASN 83 -8.715 -7.149 -12.646 630 H VAL 84 HN VAL 84 -2.471 -7.242 -12.492 631 HA VAL 84 HA VAL 84 -1.328 -4.864 -13.892 632 HB VAL 84 HB VAL 84 0.771 -6.519 -13.714 633 1HG1 VAL 84 1HG1 VAL 84 1.438 -5.267 -11.792 634 2HG1 VAL 84 2HG1 VAL 84 -0.236 -5.016 -11.291 635 3HG1 VAL 84 3HG1 VAL 84 0.384 -4.213 -12.736 636 1HG2 VAL 84 1HG2 VAL 84 -0.909 -7.274 -11.304 637 2HG2 VAL 84 2HG2 VAL 84 0.726 -7.826 -11.668 638 3HG2 VAL 84 3HG2 VAL 84 -0.624 -8.336 -12.684 639 H GLU 85 HN GLU 85 -0.709 -4.977 -16.014 640 HA GLU 85 HA GLU 85 -0.826 -7.612 -17.416 641 1HB GLU 85 2HB GLU 85 -2.503 -6.822 -18.975 642 2HB GLU 85 1HB GLU 85 -3.118 -6.540 -17.346 643 1HG GLU 85 2HG GLU 85 -2.353 -4.198 -17.458 644 2HG GLU 85 1HG GLU 85 -1.740 -4.476 -19.088 645 H ARG 86 HN ARG 86 0.279 -7.542 -19.486 646 HA ARG 86 HA ARG 86 2.515 -5.741 -19.558 647 1HB ARG 86 2HB ARG 86 2.513 -8.042 -20.445 648 2HB ARG 86 1HB ARG 86 1.331 -7.574 -21.669 649 1HG ARG 86 2HG ARG 86 2.929 -5.934 -22.590 650 2HG ARG 86 1HG ARG 86 4.114 -6.401 -21.370 651 1HD ARG 86 2HD ARG 86 4.143 -8.708 -22.271 652 2HD ARG 86 1HD ARG 86 2.958 -8.234 -23.506 653 HE ARG 86 HE ARG 86 4.908 -6.327 -23.804 654 1HH1 ARG 86 1HH1 ARG 86 4.937 -9.777 -23.598 655 2HH1 ARG 86 2HH1 ARG 86 6.331 -9.952 -24.609 656 1HH2 ARG 86 1HH2 ARG 86 6.724 -6.547 -25.121 657 2HH2 ARG 86 2HH2 ARG 86 7.341 -8.128 -25.470 658 H ALA 87 HN ALA 87 2.666 -3.745 -20.466 659 HA ALA 87 HA ALA 87 0.657 -2.947 -22.536 660 1HB ALA 87 1HB ALA 87 0.656 -2.029 -19.988 661 2HB ALA 87 2HB ALA 87 0.169 -1.031 -21.359 662 3HB ALA 87 3HB ALA 87 1.802 -0.898 -20.708 663 H ALA 88 HN ALA 88 1.533 -1.630 -24.200 664 HA ALA 88 HA ALA 88 3.954 -0.224 -24.273 665 1HB ALA 88 1HB ALA 88 4.262 -3.129 -24.192 666 2HB ALA 88 2HB ALA 88 5.471 -1.869 -23.945 667 3HB ALA 88 3HB ALA 88 5.079 -2.409 -25.578 668 H LYS 89 HN LYS 89 1.299 -0.553 -25.679 669 HA LYS 89 HA LYS 89 0.435 -0.381 -27.938 670 1HB LYS 89 2HB LYS 89 1.490 1.429 -28.828 671 2HB LYS 89 1HB LYS 89 2.553 1.343 -27.432 672 1HG LYS 89 2HG LYS 89 3.852 -0.401 -28.997 673 2HG LYS 89 1HG LYS 89 3.069 0.541 -30.263 674 1HD LYS 89 2HD LYS 89 3.942 2.587 -28.821 675 2HD LYS 89 1HD LYS 89 5.113 1.398 -28.250 676 1HE LYS 89 2HE LYS 89 4.581 2.003 -31.182 677 2HE LYS 89 1HE LYS 89 5.954 2.635 -30.250 678 1HZ LYS 89 1HZ LYS 89 5.395 -0.110 -31.099 679 2HZ LYS 89 2HZ LYS 89 6.147 0.108 -29.591 680 3HZ LYS 89 3HZ LYS 89 6.877 0.708 -31.004 681 H PHE 90 HN PHE 90 1.873 -2.920 -27.103 682 HA PHE 90 HA PHE 90 3.187 -3.808 -29.598 683 1HB PHE 90 2HB PHE 90 3.695 -5.776 -28.280 684 2HB PHE 90 1HB PHE 90 3.936 -4.367 -27.247 685 HD1 PHE 90 HD1 PHE 90 1.808 -7.284 -27.944 686 HD2 PHE 90 HD2 PHE 90 2.366 -3.836 -25.440 687 HE1 PHE 90 HE1 PHE 90 0.143 -8.183 -26.337 688 HE2 PHE 90 HE2 PHE 90 0.705 -4.735 -23.831 689 HZ PHE 90 HZ PHE 90 -0.408 -6.909 -24.278 690 H SER 91 HN SER 91 2.406 -5.903 -30.601 691 HA SER 91 HA SER 91 -0.321 -5.608 -31.428 692 1HB SER 91 2HB SER 91 0.189 -7.585 -32.753 693 2HB SER 91 1HB SER 91 1.625 -6.567 -32.705 694 HG SER 91 HG SER 91 2.627 -8.067 -31.622 695 H ASP 92 HN ASP 92 -2.155 -6.933 -30.960 696 HA ASP 92 HA ASP 92 -2.348 -7.903 -28.255 697 1HB ASP 92 2HB ASP 92 -4.079 -8.117 -30.732 698 2HB ASP 92 1HB ASP 92 -4.604 -8.683 -29.146 699 H GLU 93 HN GLU 93 -2.215 -9.601 -31.413 700 HA GLU 93 HA GLU 93 -1.029 -11.949 -30.066 701 1HB GLU 93 2HB GLU 93 -3.755 -11.905 -31.384 702 2HB GLU 93 1HB GLU 93 -2.867 -13.401 -31.097 703 1HG GLU 93 2HG GLU 93 -2.759 -12.851 -28.677 704 2HG GLU 93 1HG GLU 93 -3.710 -11.397 -28.984 705 H ILE 94 HN ILE 94 0.308 -10.424 -31.870 706 HA ILE 94 HA ILE 94 0.025 -11.722 -34.540 707 HB ILE 94 HB ILE 94 1.673 -9.412 -33.469 708 1HG1 ILE 94 2HG1 ILE 94 -0.728 -8.944 -33.661 709 2HG1 ILE 94 1HG1 ILE 94 0.151 -8.084 -34.926 710 1HG2 ILE 94 1HG2 ILE 94 2.997 -9.747 -35.265 711 2HG2 ILE 94 2HG2 ILE 94 1.611 -9.302 -36.261 712 3HG2 ILE 94 3HG2 ILE 94 1.929 -10.999 -35.899 713 1HD1 ILE 94 1HD1 ILE 94 -0.329 -10.136 -36.410 714 2HD1 ILE 94 2HD1 ILE 94 -1.687 -9.069 -36.054 715 3HD1 ILE 94 3HD1 ILE 94 -1.510 -10.592 -35.182 716 H GLY 95 HN GLY 95 1.828 -11.978 -31.632 717 1HA GLY 95 2HA GLY 95 3.266 -14.007 -31.422 718 2HA GLY 95 1HA GLY 95 3.861 -13.658 -33.046 719 H GLY 96 HN GLY 96 5.214 -11.751 -33.334 720 1HA GLY 96 2HA GLY 96 6.909 -10.264 -32.682 721 2HA GLY 96 1HA GLY 96 6.045 -10.088 -31.154 722 H HIS 97 HN HIS 97 8.389 -10.029 -30.372 723 HA HIS 97 HA HIS 97 9.065 -12.640 -29.243 724 1HB HIS 97 2HB HIS 97 11.356 -12.602 -30.361 725 2HB HIS 97 1HB HIS 97 10.004 -12.950 -31.440 726 HD1 HIS 97 HD1 HIS 97 11.825 -11.958 -33.263 727 HD2 HIS 97 HD2 HIS 97 10.085 -9.218 -30.648 728 HE1 HIS 97 HE1 HIS 97 12.182 -9.668 -34.283 729 1H MET 1 1HT MET 1 0.266 3.206 -31.116 730 2H MET 1 2HT MET 1 -0.839 4.493 -31.192 731 3H MET 1 3HT MET 1 -1.333 2.978 -30.602 732 HA MET 1 HA MET 1 0.908 3.969 -29.126 733 1HB MET 1 2HB MET 1 -1.604 5.638 -29.453 734 2HB MET 1 1HB MET 1 -0.487 5.840 -28.103 735 1HG MET 1 2HG MET 1 1.349 6.297 -29.684 736 2HG MET 1 1HG MET 1 0.237 6.094 -31.038 737 1HE MET 1 1HE MET 1 1.548 8.023 -31.505 738 2HE MET 1 2HE MET 1 1.522 9.590 -30.700 739 3HE MET 1 3HE MET 1 0.315 9.218 -31.928 740 H PHE 2 HN PHE 2 -0.023 4.141 -26.724 741 HA PHE 2 HA PHE 2 -2.524 2.755 -26.238 742 1HB PHE 2 2HB PHE 2 -1.659 0.801 -25.195 743 2HB PHE 2 1HB PHE 2 -0.742 0.947 -26.696 744 HD1 PHE 2 HD1 PHE 2 -0.478 0.417 -23.234 745 HD2 PHE 2 HD2 PHE 2 1.458 2.495 -26.460 746 HE1 PHE 2 HE1 PHE 2 1.613 0.529 -21.905 747 HE2 PHE 2 HE2 PHE 2 3.554 2.602 -25.132 748 HZ PHE 2 HZ PHE 2 3.629 1.621 -22.853 749 H THR 3 HN THR 3 -3.290 3.379 -24.214 750 HA THR 3 HA THR 3 -1.381 4.797 -22.405 751 HB THR 3 HB THR 3 -2.849 6.722 -22.460 752 HG1 THR 3 HG1 THR 3 -4.690 6.342 -24.110 753 1HG2 THR 3 1HG2 THR 3 -2.486 5.574 -25.244 754 2HG2 THR 3 2HG2 THR 3 -1.318 6.554 -24.361 755 3HG2 THR 3 3HG2 THR 3 -2.845 7.264 -24.885 756 H GLY 4 HN GLY 4 -4.554 3.288 -22.882 757 1HA GLY 4 2HA GLY 4 -6.171 2.598 -21.323 758 2HA GLY 4 1HA GLY 4 -4.787 2.000 -20.404 759 H ILE 5 HN ILE 5 -5.012 5.411 -21.150 760 HA ILE 5 HA ILE 5 -4.955 6.009 -18.275 761 HB ILE 5 HB ILE 5 -5.010 7.771 -20.750 762 1HG1 ILE 5 2HG1 ILE 5 -2.725 6.758 -19.028 763 2HG1 ILE 5 1HG1 ILE 5 -3.065 6.277 -20.687 764 1HG2 ILE 5 1HG2 ILE 5 -5.561 8.630 -18.258 765 2HG2 ILE 5 2HG2 ILE 5 -4.634 9.595 -19.408 766 3HG2 ILE 5 3HG2 ILE 5 -3.796 8.649 -18.174 767 1HD1 ILE 5 1HD1 ILE 5 -2.104 8.146 -21.539 768 2HD1 ILE 5 2HD1 ILE 5 -1.408 8.364 -19.935 769 3HD1 ILE 5 3HD1 ILE 5 -2.910 9.183 -20.363 770 H VAL 6 HN VAL 6 -6.648 6.758 -17.050 771 HA VAL 6 HA VAL 6 -9.340 6.573 -18.178 772 HB VAL 6 HB VAL 6 -7.979 6.697 -15.546 773 1HG1 VAL 6 1HG1 VAL 6 -9.607 8.621 -15.422 774 2HG1 VAL 6 2HG1 VAL 6 -9.956 7.315 -14.290 775 3HG1 VAL 6 3HG1 VAL 6 -10.901 7.474 -15.770 776 1HG2 VAL 6 1HG2 VAL 6 -10.390 5.233 -15.505 777 2HG2 VAL 6 2HG2 VAL 6 -8.754 4.589 -15.658 778 3HG2 VAL 6 3HG2 VAL 6 -9.690 4.976 -17.103 779 H GLN 7 HN GLN 7 -10.733 8.231 -18.593 780 HA GLN 7 HA GLN 7 -9.704 10.877 -19.059 781 1HB GLN 7 2HB GLN 7 -12.468 9.637 -18.984 782 2HB GLN 7 1HB GLN 7 -12.167 11.288 -19.527 783 1HG GLN 7 2HG GLN 7 -10.622 10.441 -21.255 784 2HG GLN 7 1HG GLN 7 -10.925 8.790 -20.716 785 1HE2 GLN 7 1HE2 GLN 7 -11.875 11.000 -23.033 786 2HE2 GLN 7 2HE2 GLN 7 -13.423 10.392 -23.373 787 H GLY 8 HN GLY 8 -11.593 9.428 -16.408 788 1HA GLY 8 2HA GLY 8 -11.221 11.926 -14.834 789 2HA GLY 8 1HA GLY 8 -12.877 11.461 -15.216 790 H THR 9 HN THR 9 -12.386 11.597 -12.590 791 HA THR 9 HA THR 9 -11.830 8.775 -11.739 792 HB THR 9 HB THR 9 -11.169 9.969 -9.568 793 HG1 THR 9 HG1 THR 9 -10.493 12.243 -10.338 794 1HG2 THR 9 1HG2 THR 9 -9.111 11.059 -11.036 795 2HG2 THR 9 2HG2 THR 9 -9.778 9.870 -12.156 796 3HG2 THR 9 3HG2 THR 9 -9.223 9.364 -10.559 797 H ALA 10 HN ALA 10 -12.927 8.226 -9.621 798 HA ALA 10 HA ALA 10 -15.665 9.452 -9.374 799 1HB ALA 10 1HB ALA 10 -15.921 6.691 -9.032 800 2HB ALA 10 2HB ALA 10 -14.782 6.840 -10.375 801 3HB ALA 10 3HB ALA 10 -16.376 7.595 -10.475 802 H LYS 11 HN LYS 11 -16.550 9.243 -7.257 803 HA LYS 11 HA LYS 11 -14.557 8.447 -5.167 804 1HB LYS 11 2HB LYS 11 -15.379 10.768 -5.167 805 2HB LYS 11 1HB LYS 11 -17.037 10.182 -5.086 806 1HG LYS 11 2HG LYS 11 -16.620 9.142 -2.924 807 2HG LYS 11 1HG LYS 11 -14.915 9.587 -3.007 808 1HD LYS 11 2HD LYS 11 -15.324 11.698 -2.316 809 2HD LYS 11 1HD LYS 11 -16.709 11.870 -3.396 810 1HE LYS 11 2HE LYS 11 -17.970 10.334 -1.737 811 2HE LYS 11 1HE LYS 11 -16.646 10.698 -0.610 812 1HZ LYS 11 1HZ LYS 11 -17.209 12.872 -0.490 813 2HZ LYS 11 2HZ LYS 11 -18.751 12.285 -0.893 814 3HZ LYS 11 3HZ LYS 11 -17.750 12.946 -2.096 815 H LEU 12 HN LEU 12 -14.956 6.431 -4.338 816 HA LEU 12 HA LEU 12 -17.459 5.007 -4.493 817 1HB LEU 12 2HB LEU 12 -15.009 4.254 -3.934 818 2HB LEU 12 1HB LEU 12 -15.404 4.750 -2.305 819 HG LEU 12 HG LEU 12 -17.204 3.161 -2.167 820 1HD1 LEU 12 1HD1 LEU 12 -16.734 2.908 -5.137 821 2HD1 LEU 12 2HD1 LEU 12 -18.240 3.264 -4.292 822 3HD1 LEU 12 3HD1 LEU 12 -17.559 1.638 -4.234 823 1HD2 LEU 12 1HD2 LEU 12 -14.504 2.406 -2.741 824 2HD2 LEU 12 2HD2 LEU 12 -15.570 1.205 -3.473 825 3HD2 LEU 12 3HD2 LEU 12 -15.684 1.550 -1.747 826 H VAL 13 HN VAL 13 -19.263 5.374 -3.320 827 HA VAL 13 HA VAL 13 -19.022 7.016 -0.829 828 HB VAL 13 HB VAL 13 -19.900 8.427 -2.491 829 1HG1 VAL 13 1HG1 VAL 13 -22.129 7.273 -3.643 830 2HG1 VAL 13 2HG1 VAL 13 -20.967 5.950 -3.596 831 3HG1 VAL 13 3HG1 VAL 13 -20.552 7.461 -4.412 832 1HG2 VAL 13 1HG2 VAL 13 -22.366 7.192 -1.258 833 2HG2 VAL 13 2HG2 VAL 13 -22.165 8.863 -1.787 834 3HG2 VAL 13 3HG2 VAL 13 -21.278 8.269 -0.384 835 H SER 14 HN SER 14 -20.609 4.392 -2.513 836 HA SER 14 HA SER 14 -21.655 3.424 0.113 837 1HB SER 14 2HB SER 14 -23.189 4.900 -1.548 838 2HB SER 14 1HB SER 14 -23.488 3.301 -2.218 839 HG SER 14 HG SER 14 -23.989 2.633 -0.051 840 H ILE 15 HN ILE 15 -21.656 1.185 0.265 841 HA ILE 15 HA ILE 15 -21.100 -0.371 -2.243 842 HB ILE 15 HB ILE 15 -20.793 -1.335 0.607 843 1HG1 ILE 15 2HG1 ILE 15 -18.837 0.130 -1.176 844 2HG1 ILE 15 1HG1 ILE 15 -19.393 0.593 0.431 845 1HG2 ILE 15 1HG2 ILE 15 -20.768 -3.162 -0.879 846 2HG2 ILE 15 2HG2 ILE 15 -19.052 -2.783 -0.706 847 3HG2 ILE 15 3HG2 ILE 15 -19.933 -2.250 -2.135 848 1HD1 ILE 15 1HD1 ILE 15 -18.376 -1.967 0.818 849 2HD1 ILE 15 2HD1 ILE 15 -17.555 -0.465 1.230 850 3HD1 ILE 15 3HD1 ILE 15 -17.241 -1.240 -0.320 851 H ASP 16 HN ASP 16 -22.676 -1.718 -2.917 852 HA ASP 16 HA ASP 16 -24.970 -2.265 -1.069 853 1HB ASP 16 2HB ASP 16 -24.688 -1.983 -4.055 854 2HB ASP 16 1HB ASP 16 -26.091 -2.786 -3.347 855 H GLU 17 HN GLU 17 -24.731 -4.291 -0.197 856 HA GLU 17 HA GLU 17 -23.292 -6.354 -1.799 857 1HB GLU 17 2HB GLU 17 -22.482 -5.765 0.454 858 2HB GLU 17 1HB GLU 17 -24.059 -6.168 1.132 859 1HG GLU 17 2HG GLU 17 -23.803 -8.496 0.351 860 2HG GLU 17 1HG GLU 17 -22.223 -8.094 -0.323 861 H LYS 18 HN LYS 18 -24.609 -7.722 -2.919 862 HA LYS 18 HA LYS 18 -27.274 -8.436 -1.742 863 1HB LYS 18 2HB LYS 18 -26.403 -8.845 -4.605 864 2HB LYS 18 1HB LYS 18 -28.037 -8.656 -3.974 865 1HG LYS 18 2HG LYS 18 -26.671 -6.304 -3.235 866 2HG LYS 18 1HG LYS 18 -26.200 -6.620 -4.905 867 1HD LYS 18 2HD LYS 18 -28.207 -5.306 -4.988 868 2HD LYS 18 1HD LYS 18 -28.661 -6.956 -5.420 869 1HE LYS 18 2HE LYS 18 -29.772 -7.324 -3.405 870 2HE LYS 18 1HE LYS 18 -28.794 -6.127 -2.533 871 1HZ LYS 18 1HZ LYS 18 -30.757 -5.514 -4.680 872 2HZ LYS 18 2HZ LYS 18 -29.815 -4.376 -3.840 873 3HZ LYS 18 3HZ LYS 18 -31.010 -5.262 -3.022 874 HA PRO 19 HA PRO 19 -25.614 -12.429 -0.864 875 1HB PRO 19 2HB PRO 19 -28.046 -13.794 -1.321 876 2HB PRO 19 1HB PRO 19 -27.480 -13.143 0.229 877 1HG PRO 19 2HG PRO 19 -29.401 -11.998 -1.715 878 2HG PRO 19 1HG PRO 19 -29.351 -11.853 0.049 879 1HD PRO 19 2HD PRO 19 -28.631 -9.826 -1.561 880 2HD PRO 19 1HD PRO 19 -27.825 -10.118 -0.002 881 H ASN 20 HN ASN 20 -27.169 -11.534 -3.837 882 HA ASN 20 HA ASN 20 -26.312 -14.042 -5.196 883 1HB ASN 20 2HB ASN 20 -27.715 -11.618 -6.347 884 2HB ASN 20 1HB ASN 20 -27.738 -13.273 -6.959 885 1HD2 ASN 20 1HD2 ASN 20 -28.942 -11.184 -4.335 886 2HD2 ASN 20 2HD2 ASN 20 -30.182 -12.232 -3.844 887 H PHE 21 HN PHE 21 -25.615 -10.573 -5.070 888 HA PHE 21 HA PHE 21 -23.032 -11.000 -6.451 889 1HB PHE 21 2HB PHE 21 -25.267 -9.260 -7.547 890 2HB PHE 21 1HB PHE 21 -23.637 -9.354 -8.213 891 HD1 PHE 21 HD1 PHE 21 -22.774 -11.709 -8.900 892 HD2 PHE 21 HD2 PHE 21 -26.920 -10.768 -8.262 893 HE1 PHE 21 HE1 PHE 21 -23.429 -13.694 -10.238 894 HE2 PHE 21 HE2 PHE 21 -27.576 -12.755 -9.598 895 HZ PHE 21 HZ PHE 21 -25.831 -14.218 -10.586 896 H ARG 22 HN ARG 22 -21.576 -9.203 -6.088 897 HA ARG 22 HA ARG 22 -22.436 -7.371 -3.923 898 1HB ARG 22 2HB ARG 22 -20.299 -8.611 -3.793 899 2HB ARG 22 1HB ARG 22 -19.765 -7.817 -5.270 900 1HG ARG 22 2HG ARG 22 -19.925 -5.624 -4.176 901 2HG ARG 22 1HG ARG 22 -20.488 -6.398 -2.694 902 1HD ARG 22 2HD ARG 22 -18.361 -7.653 -2.530 903 2HD ARG 22 1HD ARG 22 -17.788 -6.868 -4.015 904 HE ARG 22 HE ARG 22 -18.544 -4.732 -2.457 905 1HH1 ARG 22 1HH1 ARG 22 -16.569 -7.523 -1.953 906 2HH1 ARG 22 2HH1 ARG 22 -15.516 -6.733 -0.830 907 1HH2 ARG 22 1HH2 ARG 22 -17.172 -3.693 -0.992 908 2HH2 ARG 22 2HH2 ARG 22 -15.856 -4.571 -0.287 909 H THR 23 HN THR 23 -22.541 -5.160 -4.180 910 HA THR 23 HA THR 23 -22.314 -4.110 -6.984 911 HB THR 23 HB THR 23 -24.408 -3.634 -4.832 912 HG1 THR 23 HG1 THR 23 -25.727 -4.666 -6.469 913 1HG2 THR 23 1HG2 THR 23 -24.784 -1.704 -5.937 914 2HG2 THR 23 2HG2 THR 23 -25.350 -2.694 -7.283 915 3HG2 THR 23 3HG2 THR 23 -23.673 -2.148 -7.233 916 H HIS 24 HN HIS 24 -21.349 -2.060 -7.136 917 HA HIS 24 HA HIS 24 -20.753 -0.672 -4.547 918 1HB HIS 24 2HB HIS 24 -19.027 -1.835 -6.585 919 2HB HIS 24 1HB HIS 24 -18.653 -0.135 -6.287 920 HD1 HIS 24 HD1 HIS 24 -17.418 -3.148 -5.167 921 HD2 HIS 24 HD2 HIS 24 -19.070 0.061 -3.082 922 HE1 HIS 24 HE1 HIS 24 -16.645 -3.371 -2.764 923 H VAL 25 HN VAL 25 -21.016 1.552 -4.587 924 HA VAL 25 HA VAL 25 -21.814 2.753 -7.217 925 HB VAL 25 HB VAL 25 -22.706 3.624 -4.475 926 1HG1 VAL 25 1HG1 VAL 25 -23.115 5.212 -6.267 927 2HG1 VAL 25 2HG1 VAL 25 -24.649 4.480 -5.799 928 3HG1 VAL 25 3HG1 VAL 25 -23.831 3.948 -7.267 929 1HG2 VAL 25 1HG2 VAL 25 -23.408 1.350 -4.534 930 2HG2 VAL 25 2HG2 VAL 25 -23.809 1.441 -6.248 931 3HG2 VAL 25 3HG2 VAL 25 -24.817 2.271 -5.063 932 H VAL 26 HN VAL 26 -20.686 4.516 -7.840 933 HA VAL 26 HA VAL 26 -18.831 5.793 -5.858 934 HB VAL 26 HB VAL 26 -17.444 6.245 -7.864 935 1HG1 VAL 26 1HG1 VAL 26 -18.220 3.577 -6.928 936 2HG1 VAL 26 2HG1 VAL 26 -16.611 4.244 -7.206 937 3HG1 VAL 26 3HG1 VAL 26 -17.529 3.565 -8.549 938 1HG2 VAL 26 1HG2 VAL 26 -19.935 5.656 -9.180 939 2HG2 VAL 26 2HG2 VAL 26 -18.700 4.542 -9.769 940 3HG2 VAL 26 3HG2 VAL 26 -18.445 6.285 -9.884 941 H GLU 27 HN GLU 27 -18.332 8.151 -6.554 942 HA GLU 27 HA GLU 27 -20.894 9.507 -7.291 943 1HB GLU 27 2HB GLU 27 -19.378 9.670 -5.066 944 2HB GLU 27 1HB GLU 27 -18.542 10.848 -6.071 945 1HG GLU 27 2HG GLU 27 -20.433 12.239 -6.243 946 2HG GLU 27 1HG GLU 27 -21.533 10.947 -5.761 947 H LEU 28 HN LEU 28 -20.836 10.161 -9.397 948 HA LEU 28 HA LEU 28 -18.296 10.336 -10.815 949 1HB LEU 28 2HB LEU 28 -20.751 9.463 -11.404 950 2HB LEU 28 1HB LEU 28 -20.936 11.115 -11.980 951 HG LEU 28 HG LEU 28 -19.075 10.862 -13.509 952 1HD1 LEU 28 1HD1 LEU 28 -17.374 9.529 -12.843 953 2HD1 LEU 28 2HD1 LEU 28 -18.351 8.162 -13.381 954 3HD1 LEU 28 3HD1 LEU 28 -18.409 8.677 -11.696 955 1HD2 LEU 28 1HD2 LEU 28 -21.232 9.938 -14.271 956 2HD2 LEU 28 2HD2 LEU 28 -20.824 8.384 -13.546 957 3HD2 LEU 28 3HD2 LEU 28 -19.891 8.990 -14.912 958 HA PRO 29 HA PRO 29 -17.854 14.710 -10.124 959 1HB PRO 29 2HB PRO 29 -15.837 15.085 -11.948 960 2HB PRO 29 1HB PRO 29 -15.586 14.454 -10.311 961 1HG PRO 29 2HG PRO 29 -15.744 12.996 -12.896 962 2HG PRO 29 1HG PRO 29 -14.718 12.690 -11.486 963 1HD PRO 29 2HD PRO 29 -16.929 11.227 -12.050 964 2HD PRO 29 1HD PRO 29 -16.345 11.501 -10.393 965 H ASP 30 HN ASP 30 -17.643 16.695 -11.695 966 HA ASP 30 HA ASP 30 -20.026 16.854 -13.180 967 1HB ASP 30 2HB ASP 30 -17.456 18.454 -13.211 968 2HB ASP 30 1HB ASP 30 -18.921 18.979 -14.041 969 H HIS 31 HN HIS 31 -16.703 16.259 -14.375 970 HA HIS 31 HA HIS 31 -17.677 16.278 -17.150 971 1HB HIS 31 2HB HIS 31 -15.302 16.107 -17.680 972 2HB HIS 31 1HB HIS 31 -15.533 17.309 -16.416 973 HD1 HIS 31 HD1 HIS 31 -15.991 14.534 -14.445 974 HD2 HIS 31 HD2 HIS 31 -12.620 15.946 -16.443 975 HE1 HIS 31 HE1 HIS 31 -13.983 13.522 -13.276 976 H MET 32 HN MET 32 -17.754 13.972 -14.789 977 HA MET 32 HA MET 32 -17.509 11.762 -16.808 978 1HB MET 32 2HB MET 32 -17.217 11.835 -13.792 979 2HB MET 32 1HB MET 32 -17.322 10.331 -14.708 980 1HG MET 32 2HG MET 32 -15.239 12.497 -15.114 981 2HG MET 32 1HG MET 32 -14.969 10.953 -14.305 982 1HE MET 32 1HE MET 32 -15.265 8.300 -16.961 983 2HE MET 32 2HE MET 32 -16.553 8.848 -15.893 984 3HE MET 32 3HE MET 32 -14.900 8.747 -15.289 985 H LEU 33 HN LEU 33 -19.625 13.641 -14.900 986 HA LEU 33 HA LEU 33 -21.746 11.717 -14.455 987 1HB LEU 33 2HB LEU 33 -21.424 14.709 -14.477 988 2HB LEU 33 1HB LEU 33 -23.028 13.996 -14.304 989 HG LEU 33 HG LEU 33 -20.737 13.083 -12.568 990 1HD1 LEU 33 1HD1 LEU 33 -22.581 15.454 -12.168 991 2HD1 LEU 33 2HD1 LEU 33 -20.817 15.456 -12.167 992 3HD1 LEU 33 3HD1 LEU 33 -21.697 14.686 -10.848 993 1HD2 LEU 33 1HD2 LEU 33 -23.638 13.252 -11.824 994 2HD2 LEU 33 2HD2 LEU 33 -22.409 12.115 -11.271 995 3HD2 LEU 33 3HD2 LEU 33 -23.095 11.954 -12.887 996 H ASP 34 HN ASP 34 -21.015 14.069 -17.011 997 HA ASP 34 HA ASP 34 -23.468 13.635 -18.485 998 1HB ASP 34 2HB ASP 34 -20.772 14.894 -18.977 999 2HB ASP 34 1HB ASP 34 -21.992 14.839 -20.252 1000 H GLY 35 HN GLY 35 -23.826 12.272 -20.259 1001 1HA GLY 35 2HA GLY 35 -23.173 10.889 -22.089 1002 2HA GLY 35 1HA GLY 35 -21.540 10.828 -21.431 1003 H LEU 36 HN LEU 36 -22.237 9.956 -18.778 1004 HA LEU 36 HA LEU 36 -22.337 7.119 -19.342 1005 1HB LEU 36 2HB LEU 36 -20.966 8.230 -17.587 1006 2HB LEU 36 1HB LEU 36 -22.446 8.646 -16.722 1007 HG LEU 36 HG LEU 36 -23.010 6.242 -16.543 1008 1HD1 LEU 36 1HD1 LEU 36 -21.995 5.249 -18.432 1009 2HD1 LEU 36 2HD1 LEU 36 -21.024 4.667 -17.080 1010 3HD1 LEU 36 3HD1 LEU 36 -20.430 5.987 -18.089 1011 1HD2 LEU 36 1HD2 LEU 36 -21.755 7.272 -14.717 1012 2HD2 LEU 36 2HD2 LEU 36 -20.235 7.000 -15.572 1013 3HD2 LEU 36 3HD2 LEU 36 -21.167 5.628 -14.969 1014 H GLU 37 HN GLU 37 -23.946 5.618 -18.755 1015 HA GLU 37 HA GLU 37 -26.472 6.584 -17.536 1016 1HB GLU 37 2HB GLU 37 -27.791 5.808 -19.425 1017 2HB GLU 37 1HB GLU 37 -26.551 6.898 -20.046 1018 1HG GLU 37 2HG GLU 37 -25.133 4.963 -20.627 1019 2HG GLU 37 1HG GLU 37 -26.374 3.870 -20.010 1020 H THR 38 HN THR 38 -27.913 4.620 -17.049 1021 HA THR 38 HA THR 38 -26.392 2.515 -15.826 1022 HB THR 38 HB THR 38 -28.946 1.560 -16.155 1023 HG1 THR 38 HG1 THR 38 -30.048 3.155 -16.936 1024 1HG2 THR 38 1HG2 THR 38 -28.188 1.611 -13.985 1025 2HG2 THR 38 2HG2 THR 38 -29.289 2.987 -13.946 1026 3HG2 THR 38 3HG2 THR 38 -27.556 3.249 -14.134 1027 H GLY 39 HN GLY 39 -26.075 0.337 -16.543 1028 1HA GLY 39 2HA GLY 39 -26.022 -1.453 -18.111 1029 2HA GLY 39 1HA GLY 39 -26.995 -0.483 -19.215 1030 H ALA 40 HN ALA 40 -24.778 1.662 -18.309 1031 HA ALA 40 HA ALA 40 -23.153 1.407 -20.716 1032 1HB ALA 40 1HB ALA 40 -23.114 3.143 -18.229 1033 2HB ALA 40 2HB ALA 40 -23.778 3.569 -19.809 1034 3HB ALA 40 3HB ALA 40 -22.034 3.397 -19.602 1035 H SER 41 HN SER 41 -20.829 0.946 -20.701 1036 HA SER 41 HA SER 41 -19.958 -0.679 -18.381 1037 1HB SER 41 2HB SER 41 -18.030 -0.747 -20.356 1038 2HB SER 41 1HB SER 41 -19.292 -1.915 -20.125 1039 HG SER 41 HG SER 41 -19.442 0.405 -21.731 1040 H VAL 42 HN VAL 42 -19.054 0.580 -16.825 1041 HA VAL 42 HA VAL 42 -17.284 2.869 -17.562 1042 HB VAL 42 HB VAL 42 -18.787 1.888 -15.166 1043 1HG1 VAL 42 1HG1 VAL 42 -16.069 3.084 -15.041 1044 2HG1 VAL 42 2HG1 VAL 42 -16.871 1.970 -13.933 1045 3HG1 VAL 42 3HG1 VAL 42 -17.281 3.685 -13.909 1046 1HG2 VAL 42 1HG2 VAL 42 -18.115 4.726 -15.581 1047 2HG2 VAL 42 2HG2 VAL 42 -19.675 3.985 -15.220 1048 3HG2 VAL 42 3HG2 VAL 42 -19.059 3.985 -16.874 1049 H ALA 43 HN ALA 43 -15.101 2.545 -17.594 1050 HA ALA 43 HA ALA 43 -14.030 -0.024 -16.548 1051 1HB ALA 43 1HB ALA 43 -12.993 2.211 -18.303 1052 2HB ALA 43 2HB ALA 43 -13.271 0.525 -18.742 1053 3HB ALA 43 3HB ALA 43 -11.929 0.950 -17.680 1054 H HIS 44 HN HIS 44 -13.334 0.026 -14.455 1055 HA HIS 44 HA HIS 44 -12.683 2.620 -13.172 1056 1HB HIS 44 2HB HIS 44 -13.220 -0.218 -12.340 1057 2HB HIS 44 1HB HIS 44 -12.338 0.830 -11.232 1058 HD1 HIS 44 HD1 HIS 44 -15.096 2.202 -13.454 1059 HD2 HIS 44 HD2 HIS 44 -14.511 1.108 -9.460 1060 HE1 HIS 44 HE1 HIS 44 -17.108 3.045 -12.162 1061 HE2 HIS 44 HE2 HIS 44 -16.764 2.373 -9.749 1062 H ASN 45 HN ASN 45 -10.667 3.256 -13.767 1063 HA ASN 45 HA ASN 45 -8.355 3.251 -14.139 1064 1HB ASN 45 2HB ASN 45 -8.718 1.948 -11.813 1065 2HB ASN 45 1HB ASN 45 -8.042 0.628 -12.771 1066 1HD2 ASN 45 1HD2 ASN 45 -7.287 3.616 -11.154 1067 2HD2 ASN 45 2HD2 ASN 45 -5.658 3.697 -11.608 1068 H GLY 46 HN GLY 46 -10.480 1.206 -15.556 1069 1HA GLY 46 2HA GLY 46 -9.740 0.698 -17.903 1070 2HA GLY 46 1HA GLY 46 -8.327 -0.073 -17.182 1071 H CYS 47 HN CYS 47 -10.786 -0.862 -15.112 1072 HA CYS 47 HA CYS 47 -11.194 -3.490 -16.461 1073 1HB CYS 47 2HB CYS 47 -10.455 -3.247 -14.039 1074 2HB CYS 47 1HB CYS 47 -12.038 -2.547 -13.700 1075 HG CYS 47 HG CYS 47 -13.025 -4.893 -14.696 1076 H CYS 48 HN CYS 48 -12.913 -3.366 -17.905 1077 HA CYS 48 HA CYS 48 -15.037 -1.449 -17.673 1078 1HB CYS 48 2HB CYS 48 -16.016 -2.839 -19.528 1079 2HB CYS 48 1HB CYS 48 -14.340 -2.378 -19.814 1080 HG CYS 48 HG CYS 48 -15.228 -5.164 -19.827 1081 H LEU 49 HN LEU 49 -16.872 -1.548 -16.506 1082 HA LEU 49 HA LEU 49 -18.135 -4.178 -15.992 1083 1HB LEU 49 2HB LEU 49 -18.516 -3.366 -13.580 1084 2HB LEU 49 1HB LEU 49 -16.876 -3.875 -13.984 1085 HG LEU 49 HG LEU 49 -17.327 -1.059 -14.598 1086 1HD1 LEU 49 1HD1 LEU 49 -17.110 -0.767 -11.890 1087 2HD1 LEU 49 2HD1 LEU 49 -18.211 -2.143 -11.994 1088 3HD1 LEU 49 3HD1 LEU 49 -18.626 -0.619 -12.779 1089 1HD2 LEU 49 1HD2 LEU 49 -15.125 -0.968 -14.009 1090 2HD2 LEU 49 2HD2 LEU 49 -15.212 -2.729 -14.005 1091 3HD2 LEU 49 3HD2 LEU 49 -15.406 -1.834 -12.497 1092 H THR 50 HN THR 50 -20.469 -3.897 -15.517 1093 HA THR 50 HA THR 50 -21.438 -1.528 -16.997 1094 HB THR 50 HB THR 50 -22.718 -4.151 -16.177 1095 HG1 THR 50 HG1 THR 50 -21.645 -3.153 -18.604 1096 1HG2 THR 50 1HG2 THR 50 -24.312 -2.202 -16.504 1097 2HG2 THR 50 2HG2 THR 50 -24.564 -3.560 -17.601 1098 3HG2 THR 50 3HG2 THR 50 -23.739 -2.109 -18.169 1099 H VAL 51 HN VAL 51 -23.123 -0.195 -16.291 1100 HA VAL 51 HA VAL 51 -23.243 0.320 -13.430 1101 HB VAL 51 HB VAL 51 -24.890 1.443 -15.725 1102 1HG1 VAL 51 1HG1 VAL 51 -24.518 2.103 -12.884 1103 2HG1 VAL 51 2HG1 VAL 51 -25.816 2.560 -13.988 1104 3HG1 VAL 51 3HG1 VAL 51 -24.308 3.475 -13.972 1105 1HG2 VAL 51 1HG2 VAL 51 -22.903 2.076 -16.576 1106 2HG2 VAL 51 2HG2 VAL 51 -22.033 1.633 -15.106 1107 3HG2 VAL 51 3HG2 VAL 51 -22.824 3.205 -15.224 1108 H THR 52 HN THR 52 -24.526 -0.935 -12.122 1109 HA THR 52 HA THR 52 -26.881 -2.388 -13.029 1110 HB THR 52 HB THR 52 -27.121 -2.829 -10.632 1111 HG1 THR 52 HG1 THR 52 -26.717 -1.092 -9.506 1112 1HG2 THR 52 1HG2 THR 52 -25.077 -3.679 -12.095 1113 2HG2 THR 52 2HG2 THR 52 -25.167 -4.032 -10.369 1114 3HG2 THR 52 3HG2 THR 52 -24.153 -2.710 -10.947 1115 H GLU 53 HN GLU 53 -26.273 0.693 -11.354 1116 HA GLU 53 HA GLU 53 -28.874 1.743 -12.256 1117 1HB GLU 53 2HB GLU 53 -29.425 0.341 -10.292 1118 2HB GLU 53 1HB GLU 53 -28.251 1.237 -9.328 1119 1HG GLU 53 2HG GLU 53 -29.521 3.318 -9.702 1120 2HG GLU 53 1HG GLU 53 -30.698 2.427 -10.668 1121 H ILE 54 HN ILE 54 -29.029 4.054 -11.827 1122 HA ILE 54 HA ILE 54 -26.421 5.322 -11.029 1123 HB ILE 54 HB ILE 54 -28.724 6.178 -12.813 1124 1HG1 ILE 54 2HG1 ILE 54 -25.892 6.240 -13.678 1125 2HG1 ILE 54 1HG1 ILE 54 -26.558 4.635 -13.383 1126 1HG2 ILE 54 1HG2 ILE 54 -26.446 7.949 -12.862 1127 2HG2 ILE 54 2HG2 ILE 54 -27.070 7.829 -11.217 1128 3HG2 ILE 54 3HG2 ILE 54 -28.135 8.334 -12.530 1129 1HD1 ILE 54 1HD1 ILE 54 -27.951 4.746 -15.185 1130 2HD1 ILE 54 2HD1 ILE 54 -26.843 6.004 -15.737 1131 3HD1 ILE 54 3HD1 ILE 54 -28.332 6.445 -14.901 1132 H ASN 55 HN ASN 55 -26.427 6.439 -9.171 1133 HA ASN 55 HA ASN 55 -29.040 6.949 -7.812 1134 1HB ASN 55 2HB ASN 55 -26.190 6.466 -7.022 1135 2HB ASN 55 1HB ASN 55 -27.210 7.391 -5.920 1136 1HD2 ASN 55 1HD2 ASN 55 -26.950 4.238 -7.586 1137 2HD2 ASN 55 2HD2 ASN 55 -27.979 3.408 -6.520 1138 H GLY 56 HN GLY 56 -28.959 8.786 -9.660 1139 1HA GLY 56 2HA GLY 56 -28.963 11.146 -9.932 1140 2HA GLY 56 1HA GLY 56 -28.232 11.301 -8.332 1141 H ASN 57 HN ASN 57 -26.153 12.026 -8.382 1142 HA ASN 57 HA ASN 57 -24.572 11.912 -10.836 1143 1HB ASN 57 2HB ASN 57 -23.401 13.535 -9.759 1144 2HB ASN 57 1HB ASN 57 -24.662 13.455 -8.552 1145 1HD2 ASN 57 1HD2 ASN 57 -21.660 11.781 -9.411 1146 2HD2 ASN 57 2HD2 ASN 57 -21.132 11.514 -7.820 1147 H HIS 58 HN HIS 58 -25.144 9.911 -8.090 1148 HA HIS 58 HA HIS 58 -22.625 8.483 -8.074 1149 1HB HIS 58 2HB HIS 58 -25.384 8.140 -6.937 1150 2HB HIS 58 1HB HIS 58 -24.213 6.833 -6.788 1151 HD1 HIS 58 HD1 HIS 58 -25.398 9.270 -4.697 1152 HD2 HIS 58 HD2 HIS 58 -21.511 8.412 -5.948 1153 HE1 HIS 58 HE1 HIS 58 -23.844 10.250 -2.955 1154 H VAL 59 HN VAL 59 -22.388 6.207 -8.699 1155 HA VAL 59 HA VAL 59 -24.517 5.142 -10.464 1156 HB VAL 59 HB VAL 59 -21.611 5.554 -11.189 1157 1HG1 VAL 59 1HG1 VAL 59 -23.602 3.562 -12.129 1158 2HG1 VAL 59 2HG1 VAL 59 -21.838 3.490 -12.151 1159 3HG1 VAL 59 3HG1 VAL 59 -22.699 4.408 -13.387 1160 1HG2 VAL 59 1HG2 VAL 59 -22.556 7.406 -12.092 1161 2HG2 VAL 59 2HG2 VAL 59 -24.189 6.791 -11.818 1162 3HG2 VAL 59 3HG2 VAL 59 -23.297 6.316 -13.267 1163 H SER 60 HN SER 60 -24.976 3.144 -9.719 1164 HA SER 60 HA SER 60 -23.040 1.663 -8.027 1165 1HB SER 60 2HB SER 60 -25.863 1.009 -8.926 1166 2HB SER 60 1HB SER 60 -24.991 0.269 -7.587 1167 HG SER 60 HG SER 60 -26.235 1.842 -6.694 1168 H PHE 61 HN PHE 61 -21.765 0.025 -8.916 1169 HA PHE 61 HA PHE 61 -22.672 -1.120 -11.549 1170 1HB PHE 61 2HB PHE 61 -20.072 -1.385 -11.828 1171 2HB PHE 61 1HB PHE 61 -20.802 0.197 -12.086 1172 HD1 PHE 61 HD1 PHE 61 -18.472 -1.734 -10.092 1173 HD2 PHE 61 HD2 PHE 61 -20.811 1.873 -10.181 1174 HE1 PHE 61 HE1 PHE 61 -17.063 -0.774 -8.286 1175 HE2 PHE 61 HE2 PHE 61 -19.405 2.831 -8.376 1176 HZ PHE 61 HZ PHE 61 -17.530 1.509 -7.428 1177 H ASP 62 HN ASP 62 -22.198 -3.387 -11.850 1178 HA ASP 62 HA ASP 62 -22.379 -4.835 -9.306 1179 1HB ASP 62 2HB ASP 62 -22.971 -6.708 -10.827 1180 2HB ASP 62 1HB ASP 62 -23.891 -5.253 -11.206 1181 H LEU 63 HN LEU 63 -21.150 -6.687 -8.761 1182 HA LEU 63 HA LEU 63 -18.523 -7.108 -10.070 1183 1HB LEU 63 2HB LEU 63 -19.120 -5.274 -7.895 1184 2HB LEU 63 1HB LEU 63 -17.961 -6.489 -7.388 1185 HG LEU 63 HG LEU 63 -17.472 -5.322 -10.065 1186 1HD1 LEU 63 1HD1 LEU 63 -16.520 -3.242 -9.117 1187 2HD1 LEU 63 2HD1 LEU 63 -17.124 -3.700 -7.523 1188 3HD1 LEU 63 3HD1 LEU 63 -18.260 -3.343 -8.826 1189 1HD2 LEU 63 1HD2 LEU 63 -15.384 -6.075 -9.597 1190 2HD2 LEU 63 2HD2 LEU 63 -16.045 -6.771 -8.119 1191 3HD2 LEU 63 3HD2 LEU 63 -15.332 -5.160 -8.091 1192 H MET 64 HN MET 64 -18.898 -9.408 -10.090 1193 HA MET 64 HA MET 64 -20.110 -10.868 -7.930 1194 1HB MET 64 2HB MET 64 -19.686 -11.617 -10.320 1195 2HB MET 64 1HB MET 64 -17.993 -11.833 -9.879 1196 1HG MET 64 2HG MET 64 -18.658 -13.412 -8.098 1197 2HG MET 64 1HG MET 64 -20.349 -13.211 -8.559 1198 1HE MET 64 1HE MET 64 -21.340 -13.614 -10.543 1199 2HE MET 64 2HE MET 64 -20.964 -14.910 -11.676 1200 3HE MET 64 3HE MET 64 -20.290 -13.303 -11.931 1201 H LYS 65 HN LYS 65 -19.181 -11.714 -6.038 1202 HA LYS 65 HA LYS 65 -16.989 -10.361 -4.912 1203 1HB LYS 65 2HB LYS 65 -18.758 -11.559 -3.670 1204 2HB LYS 65 1HB LYS 65 -18.115 -13.100 -4.241 1205 1HG LYS 65 2HG LYS 65 -15.966 -12.620 -3.127 1206 2HG LYS 65 1HG LYS 65 -16.606 -11.081 -2.552 1207 1HD LYS 65 2HD LYS 65 -18.402 -12.323 -1.344 1208 2HD LYS 65 1HD LYS 65 -17.651 -13.838 -1.846 1209 1HE LYS 65 2HE LYS 65 -15.496 -12.970 -0.748 1210 2HE LYS 65 1HE LYS 65 -16.514 -11.724 0.001 1211 1HZ LYS 65 1HZ LYS 65 -17.294 -14.571 0.066 1212 2HZ LYS 65 2HZ LYS 65 -17.810 -13.304 1.074 1213 3HZ LYS 65 3HZ LYS 65 -16.242 -13.938 1.235 1214 H GLU 66 HN GLU 66 -17.039 -13.680 -6.282 1215 HA GLU 66 HA GLU 66 -14.224 -14.167 -5.904 1216 1HB GLU 66 2HB GLU 66 -15.939 -15.903 -6.316 1217 2HB GLU 66 1HB GLU 66 -16.220 -15.247 -7.929 1218 1HG GLU 66 2HG GLU 66 -13.876 -15.726 -8.537 1219 2HG GLU 66 1HG GLU 66 -13.595 -16.387 -6.925 1220 H THR 67 HN THR 67 -16.102 -12.783 -8.605 1221 HA THR 67 HA THR 67 -13.890 -12.366 -10.410 1222 HB THR 67 HB THR 67 -16.452 -10.803 -9.949 1223 HG1 THR 67 HG1 THR 67 -16.636 -13.082 -10.441 1224 1HG2 THR 67 1HG2 THR 67 -15.989 -10.474 -12.543 1225 2HG2 THR 67 2HG2 THR 67 -14.316 -10.718 -12.036 1226 3HG2 THR 67 3HG2 THR 67 -15.264 -9.400 -11.346 1227 H LEU 68 HN LEU 68 -15.284 -10.457 -7.753 1228 HA LEU 68 HA LEU 68 -13.713 -8.097 -8.030 1229 1HB LEU 68 2HB LEU 68 -15.735 -8.412 -6.636 1230 2HB LEU 68 1HB LEU 68 -14.853 -9.536 -5.607 1231 HG LEU 68 HG LEU 68 -13.183 -7.596 -5.251 1232 1HD1 LEU 68 1HD1 LEU 68 -13.943 -6.110 -7.009 1233 2HD1 LEU 68 2HD1 LEU 68 -14.327 -5.350 -5.466 1234 3HD1 LEU 68 3HD1 LEU 68 -15.593 -6.152 -6.389 1235 1HD2 LEU 68 1HD2 LEU 68 -15.560 -6.618 -3.942 1236 2HD2 LEU 68 2HD2 LEU 68 -14.225 -7.544 -3.252 1237 3HD2 LEU 68 3HD2 LEU 68 -15.593 -8.382 -3.986 1238 H ARG 69 HN ARG 69 -13.135 -11.152 -6.308 1239 HA ARG 69 HA ARG 69 -10.520 -10.489 -5.247 1240 1HB ARG 69 2HB ARG 69 -12.007 -13.048 -5.900 1241 2HB ARG 69 1HB ARG 69 -10.439 -13.036 -5.099 1242 1HG ARG 69 2HG ARG 69 -11.374 -11.646 -3.285 1243 2HG ARG 69 1HG ARG 69 -12.947 -11.665 -4.084 1244 1HD ARG 69 2HD ARG 69 -12.962 -13.392 -2.366 1245 2HD ARG 69 1HD ARG 69 -12.873 -14.207 -3.940 1246 HE ARG 69 HE ARG 69 -10.222 -13.609 -3.003 1247 1HH1 ARG 69 1HH1 ARG 69 -12.941 -15.682 -2.485 1248 2HH1 ARG 69 2HH1 ARG 69 -11.989 -16.989 -1.868 1249 1HH2 ARG 69 1HH2 ARG 69 -8.974 -15.312 -2.197 1250 2HH2 ARG 69 2HH2 ARG 69 -9.748 -16.781 -1.705 1251 H ILE 70 HN ILE 70 -11.674 -12.060 -8.236 1252 HA ILE 70 HA ILE 70 -9.132 -12.919 -9.179 1253 HB ILE 70 HB ILE 70 -11.793 -13.138 -9.833 1254 1HG1 ILE 70 2HG1 ILE 70 -9.600 -13.906 -11.748 1255 2HG1 ILE 70 1HG1 ILE 70 -9.774 -14.685 -10.175 1256 1HG2 ILE 70 1HG2 ILE 70 -11.948 -12.507 -12.246 1257 2HG2 ILE 70 2HG2 ILE 70 -10.425 -11.634 -12.078 1258 3HG2 ILE 70 3HG2 ILE 70 -11.844 -11.110 -11.177 1259 1HD1 ILE 70 1HD1 ILE 70 -11.189 -16.089 -11.270 1260 2HD1 ILE 70 2HD1 ILE 70 -11.438 -14.954 -12.597 1261 3HD1 ILE 70 3HD1 ILE 70 -12.349 -14.771 -11.098 1262 H THR 71 HN THR 71 -11.002 -9.972 -9.796 1263 HA THR 71 HA THR 71 -8.817 -8.749 -11.356 1264 HB THR 71 HB THR 71 -10.405 -6.944 -11.607 1265 HG1 THR 71 HG1 THR 71 -11.466 -8.089 -9.287 1266 1HG2 THR 71 1HG2 THR 71 -10.925 -9.316 -12.595 1267 2HG2 THR 71 2HG2 THR 71 -12.155 -8.054 -12.665 1268 3HG2 THR 71 3HG2 THR 71 -12.245 -9.305 -11.426 1269 H ASN 72 HN ASN 72 -8.589 -6.263 -10.465 1270 HA ASN 72 HA ASN 72 -7.789 -6.477 -7.597 1271 1HB ASN 72 2HB ASN 72 -5.941 -5.835 -8.893 1272 2HB ASN 72 1HB ASN 72 -6.927 -4.915 -10.009 1273 1HD2 ASN 72 1HD2 ASN 72 -5.721 -2.917 -9.781 1274 2HD2 ASN 72 2HD2 ASN 72 -5.716 -2.041 -8.321 1275 H LEU 73 HN LEU 73 -10.548 -6.065 -8.909 1276 HA LEU 73 HA LEU 73 -11.361 -3.332 -8.329 1277 1HB LEU 73 2HB LEU 73 -12.802 -5.986 -8.621 1278 2HB LEU 73 1HB LEU 73 -13.635 -4.440 -8.467 1279 HG LEU 73 HG LEU 73 -11.623 -5.108 -10.648 1280 1HD1 LEU 73 1HD1 LEU 73 -13.874 -6.330 -10.682 1281 2HD1 LEU 73 2HD1 LEU 73 -13.481 -5.380 -12.114 1282 3HD1 LEU 73 3HD1 LEU 73 -14.614 -4.748 -10.920 1283 1HD2 LEU 73 1HD2 LEU 73 -13.469 -2.902 -11.099 1284 2HD2 LEU 73 2HD2 LEU 73 -11.709 -2.917 -11.199 1285 3HD2 LEU 73 3HD2 LEU 73 -12.501 -2.634 -9.649 1286 H GLY 74 HN GLY 74 -11.412 -6.411 -6.515 1287 1HA GLY 74 2HA GLY 74 -12.930 -5.745 -4.311 1288 2HA GLY 74 1HA GLY 74 -11.514 -6.780 -4.202 1289 H ASP 75 HN ASP 75 -9.849 -4.411 -5.187 1290 HA ASP 75 HA ASP 75 -8.943 -3.610 -2.596 1291 1HB ASP 75 2HB ASP 75 -7.364 -2.305 -3.885 1292 2HB ASP 75 1HB ASP 75 -7.680 -3.792 -4.777 1293 H LEU 76 HN LEU 76 -11.431 -2.335 -4.627 1294 HA LEU 76 HA LEU 76 -11.347 0.432 -3.953 1295 1HB LEU 76 2HB LEU 76 -13.633 -1.432 -4.611 1296 2HB LEU 76 1HB LEU 76 -13.764 0.323 -4.605 1297 HG LEU 76 HG LEU 76 -11.730 -1.181 -6.266 1298 1HD1 LEU 76 1HD1 LEU 76 -13.216 -1.342 -7.997 1299 2HD1 LEU 76 2HD1 LEU 76 -14.045 0.152 -7.556 1300 3HD1 LEU 76 3HD1 LEU 76 -14.405 -1.344 -6.694 1301 1HD2 LEU 76 1HD2 LEU 76 -12.155 1.572 -5.567 1302 2HD2 LEU 76 2HD2 LEU 76 -12.464 1.373 -7.294 1303 3HD2 LEU 76 3HD2 LEU 76 -10.910 0.889 -6.614 1304 H LYS 77 HN LYS 77 -12.219 1.590 -2.296 1305 HA LYS 77 HA LYS 77 -13.845 0.215 -0.205 1306 1HB LYS 77 2HB LYS 77 -11.264 1.772 0.194 1307 2HB LYS 77 1HB LYS 77 -12.366 1.373 1.511 1308 1HG LYS 77 2HG LYS 77 -12.116 -1.028 0.999 1309 2HG LYS 77 1HG LYS 77 -11.011 -0.631 -0.318 1310 1HD LYS 77 2HD LYS 77 -9.471 0.433 1.290 1311 2HD LYS 77 1HD LYS 77 -10.573 0.035 2.608 1312 1HE LYS 77 2HE LYS 77 -10.187 -2.304 2.371 1313 2HE LYS 77 1HE LYS 77 -9.436 -2.093 0.776 1314 1HZ LYS 77 1HZ LYS 77 -7.740 -2.323 2.483 1315 2HZ LYS 77 2HZ LYS 77 -8.398 -1.016 3.346 1316 3HZ LYS 77 3HZ LYS 77 -7.696 -0.764 1.819 1317 H VAL 78 HN VAL 78 -15.365 1.661 0.724 1318 HA VAL 78 HA VAL 78 -16.065 3.957 -0.819 1319 HB VAL 78 HB VAL 78 -16.818 3.197 2.023 1320 1HG1 VAL 78 1HG1 VAL 78 -17.469 5.471 0.490 1321 2HG1 VAL 78 2HG1 VAL 78 -18.274 4.920 1.962 1322 3HG1 VAL 78 3HG1 VAL 78 -18.882 4.410 0.385 1323 1HG2 VAL 78 1HG2 VAL 78 -18.845 2.462 0.271 1324 2HG2 VAL 78 2HG2 VAL 78 -17.677 1.372 1.016 1325 3HG2 VAL 78 3HG2 VAL 78 -17.371 2.023 -0.594 1326 H GLY 79 HN GLY 79 -15.808 6.170 -0.375 1327 1HA GLY 79 2HA GLY 79 -14.887 8.071 0.781 1328 2HA GLY 79 1HA GLY 79 -14.037 6.966 1.864 1329 H ASP 80 HN ASP 80 -13.452 5.426 -0.811 1330 HA ASP 80 HA ASP 80 -10.941 6.906 -1.440 1331 1HB ASP 80 2HB ASP 80 -11.106 4.411 -0.830 1332 2HB ASP 80 1HB ASP 80 -11.862 4.187 -2.406 1333 H TRP 81 HN TRP 81 -10.393 6.975 -3.843 1334 HA TRP 81 HA TRP 81 -12.887 7.347 -5.472 1335 1HB TRP 81 2HB TRP 81 -10.245 8.825 -5.404 1336 2HB TRP 81 1HB TRP 81 -11.379 8.998 -6.738 1337 HD1 TRP 81 HD1 TRP 81 -11.883 8.942 -2.890 1338 HE1 TRP 81 HE1 TRP 81 -13.348 10.955 -2.253 1339 HE3 TRP 81 HE3 TRP 81 -12.498 11.075 -7.491 1340 HZ2 TRP 81 HZ2 TRP 81 -14.605 13.192 -3.517 1341 HZ3 TRP 81 HZ3 TRP 81 -13.832 13.150 -7.746 1342 HH2 TRP 81 HH2 TRP 81 -14.886 14.210 -5.765 1343 H VAL 82 HN VAL 82 -12.461 7.017 -7.859 1344 HA VAL 82 HA VAL 82 -10.367 4.927 -8.368 1345 HB VAL 82 HB VAL 82 -12.378 3.707 -8.108 1346 1HG1 VAL 82 1HG1 VAL 82 -14.193 5.080 -7.903 1347 2HG1 VAL 82 2HG1 VAL 82 -14.397 4.734 -9.622 1348 3HG1 VAL 82 3HG1 VAL 82 -13.584 6.213 -9.111 1349 1HG2 VAL 82 1HG2 VAL 82 -11.222 3.688 -10.525 1350 2HG2 VAL 82 2HG2 VAL 82 -12.814 4.292 -10.995 1351 3HG2 VAL 82 3HG2 VAL 82 -12.665 2.735 -10.175 1352 H ASN 83 HN ASN 83 -9.729 4.798 -10.601 1353 HA ASN 83 HA ASN 83 -9.997 7.272 -12.188 1354 1HB ASN 83 2HB ASN 83 -8.354 4.859 -12.027 1355 2HB ASN 83 1HB ASN 83 -8.786 5.239 -13.681 1356 1HD2 ASN 83 1HD2 ASN 83 -6.392 5.790 -13.909 1357 2HD2 ASN 83 2HD2 ASN 83 -5.866 7.324 -13.410 1358 H VAL 84 HN VAL 84 -12.095 7.428 -13.032 1359 HA VAL 84 HA VAL 84 -13.280 4.927 -14.171 1360 HB VAL 84 HB VAL 84 -15.379 6.589 -14.070 1361 1HG1 VAL 84 1HG1 VAL 84 -14.951 4.383 -12.903 1362 2HG1 VAL 84 2HG1 VAL 84 -15.968 5.520 -12.015 1363 3HG1 VAL 84 3HG1 VAL 84 -14.276 5.310 -11.560 1364 1HG2 VAL 84 1HG2 VAL 84 -15.245 8.033 -12.086 1365 2HG2 VAL 84 2HG2 VAL 84 -14.034 8.517 -13.273 1366 3HG2 VAL 84 3HG2 VAL 84 -13.556 7.583 -11.855 1367 H GLU 85 HN GLU 85 -13.993 4.856 -16.276 1368 HA GLU 85 HA GLU 85 -13.918 7.343 -17.911 1369 1HB GLU 85 2HB GLU 85 -12.292 6.417 -19.450 1370 2HB GLU 85 1HB GLU 85 -11.621 6.284 -17.824 1371 1HG GLU 85 2HG GLU 85 -12.379 3.941 -17.697 1372 2HG GLU 85 1HG GLU 85 -13.050 4.069 -19.324 1373 H ARG 86 HN ARG 86 -15.095 7.085 -19.925 1374 HA ARG 86 HA ARG 86 -17.326 5.282 -19.753 1375 1HB ARG 86 2HB ARG 86 -17.364 7.492 -20.845 1376 2HB ARG 86 1HB ARG 86 -16.224 6.916 -22.063 1377 1HG ARG 86 2HG ARG 86 -17.847 5.198 -22.774 1378 2HG ARG 86 1HG ARG 86 -18.989 5.774 -21.560 1379 1HD ARG 86 2HD ARG 86 -19.060 7.988 -22.664 1380 2HD ARG 86 1HD ARG 86 -17.918 7.405 -23.893 1381 HE ARG 86 HE ARG 86 -19.870 5.478 -23.946 1382 1HH1 ARG 86 1HH1 ARG 86 -19.904 8.933 -24.053 1383 2HH1 ARG 86 2HH1 ARG 86 -21.334 9.014 -25.026 1384 1HH2 ARG 86 1HH2 ARG 86 -21.731 5.575 -25.212 1385 2HH2 ARG 86 2HH2 ARG 86 -22.367 7.116 -25.682 1386 H ALA 87 HN ALA 87 -17.506 3.210 -20.469 1387 HA ALA 87 HA ALA 87 -15.558 2.225 -22.527 1388 1HB ALA 87 1HB ALA 87 -15.426 1.550 -19.928 1389 2HB ALA 87 2HB ALA 87 -15.056 0.397 -21.210 1390 3HB ALA 87 3HB ALA 87 -16.643 0.385 -20.446 1391 H ALA 88 HN ALA 88 -16.481 0.751 -24.029 1392 HA ALA 88 HA ALA 88 -18.906 -0.643 -23.892 1393 1HB ALA 88 1HB ALA 88 -20.039 1.440 -25.362 1394 2HB ALA 88 2HB ALA 88 -19.218 2.236 -24.018 1395 3HB ALA 88 3HB ALA 88 -20.430 0.994 -23.702 1396 H LYS 89 HN LYS 89 -16.305 -0.438 -25.420 1397 HA LYS 89 HA LYS 89 -15.521 -0.815 -27.682 1398 1HB LYS 89 2HB LYS 89 -16.599 -2.699 -28.366 1399 2HB LYS 89 1HB LYS 89 -17.611 -2.488 -26.946 1400 1HG LYS 89 2HG LYS 89 -18.974 -0.894 -28.614 1401 2HG LYS 89 1HG LYS 89 -18.232 -1.946 -29.818 1402 1HD LYS 89 2HD LYS 89 -19.045 -3.854 -28.165 1403 2HD LYS 89 1HD LYS 89 -20.199 -2.619 -27.664 1404 1HE LYS 89 2HE LYS 89 -19.771 -3.487 -30.546 1405 2HE LYS 89 1HE LYS 89 -21.105 -4.035 -29.513 1406 1HZ LYS 89 1HZ LYS 89 -21.980 -1.918 -29.361 1407 2HZ LYS 89 2HZ LYS 89 -21.441 -1.944 -30.971 1408 3HZ LYS 89 3HZ LYS 89 -20.524 -1.157 -29.779 1409 H PHE 90 HN PHE 90 -16.939 1.789 -27.031 1410 HA PHE 90 HA PHE 90 -18.345 2.444 -29.546 1411 1HB PHE 90 2HB PHE 90 -18.814 4.523 -28.395 1412 2HB PHE 90 1HB PHE 90 -19.012 3.215 -27.230 1413 HD1 PHE 90 HD1 PHE 90 -16.922 6.057 -28.265 1414 HD2 PHE 90 HD2 PHE 90 -17.376 2.851 -25.441 1415 HE1 PHE 90 HE1 PHE 90 -15.206 7.101 -26.806 1416 HE2 PHE 90 HE2 PHE 90 -15.663 3.894 -23.979 1417 HZ PHE 90 HZ PHE 90 -14.577 6.020 -24.662 1418 H SER 91 HN SER 91 -17.607 4.440 -30.763 1419 HA SER 91 HA SER 91 -14.912 4.074 -31.657 1420 1HB SER 91 2HB SER 91 -15.476 5.922 -33.137 1421 2HB SER 91 1HB SER 91 -16.905 4.911 -32.945 1422 HG SER 91 HG SER 91 -17.826 6.422 -31.717 1423 H ASP 92 HN ASP 92 -13.068 5.436 -31.374 1424 HA ASP 92 HA ASP 92 -12.781 6.650 -28.776 1425 1HB ASP 92 2HB ASP 92 -11.141 6.640 -31.324 1426 2HB ASP 92 1HB ASP 92 -10.563 7.347 -29.816 1427 H GLU 93 HN GLU 93 -12.946 8.045 -32.062 1428 HA GLU 93 HA GLU 93 -14.333 10.419 -31.211 1429 1HB GLU 93 2HB GLU 93 -12.445 11.949 -31.246 1430 2HB GLU 93 1HB GLU 93 -12.054 10.619 -30.158 1431 1HG GLU 93 2HG GLU 93 -10.785 9.507 -31.953 1432 2HG GLU 93 1HG GLU 93 -11.167 10.833 -33.049 1433 H ILE 94 HN ILE 94 -14.734 8.647 -33.298 1434 HA ILE 94 HA ILE 94 -13.605 9.450 -35.822 1435 HB ILE 94 HB ILE 94 -16.189 8.105 -34.983 1436 1HG1 ILE 94 2HG1 ILE 94 -13.965 6.982 -34.514 1437 2HG1 ILE 94 1HG1 ILE 94 -15.045 6.062 -35.561 1438 1HG2 ILE 94 1HG2 ILE 94 -15.333 9.101 -37.586 1439 2HG2 ILE 94 2HG2 ILE 94 -16.894 8.438 -37.101 1440 3HG2 ILE 94 3HG2 ILE 94 -15.595 7.357 -37.605 1441 1HD1 ILE 94 1HD1 ILE 94 -12.506 6.409 -36.230 1442 2HD1 ILE 94 2HD1 ILE 94 -13.100 7.959 -36.824 1443 3HD1 ILE 94 3HD1 ILE 94 -13.769 6.458 -37.460 1444 H GLY 95 HN GLY 95 -16.517 10.467 -34.038 1445 1HA GLY 95 2HA GLY 95 -17.136 12.887 -34.243 1446 2HA GLY 95 1HA GLY 95 -16.767 12.745 -35.963 1447 H GLY 96 HN GLY 96 -18.111 11.041 -37.148 1448 1HA GLY 96 2HA GLY 96 -20.833 10.786 -35.944 1449 2HA GLY 96 1HA GLY 96 -20.645 11.377 -37.596 1450 H HIS 97 HN HIS 97 -21.962 8.886 -36.596 1451 HA HIS 97 HA HIS 97 -20.639 7.021 -38.481 1452 1HB HIS 97 2HB HIS 97 -19.553 6.787 -36.225 1453 2HB HIS 97 1HB HIS 97 -21.127 6.349 -35.561 1454 HD1 HIS 97 HD1 HIS 97 -19.055 5.214 -38.573 1455 HD2 HIS 97 HD2 HIS 97 -21.389 3.612 -35.513 1456 HE1 HIS 97 HE1 HIS 97 -19.015 2.701 -38.883 1457 HN3 RBF 98 HN3 RBF 98 4.215 6.516 -13.149 1458 HC6 RBF 98 HC6 RBF 98 3.165 5.151 -19.891 1459 1HC7 RBF 98 1HC7 RBF 98 2.321 4.840 -22.083 1460 2HC7 RBF 98 2HC7 RBF 98 2.630 6.407 -22.861 1461 3HC7 RBF 98 3HC7 RBF 98 0.963 5.816 -22.685 1462 1HC8 RBF 98 1HC8 RBF 98 -0.309 7.431 -22.366 1463 2HC8 RBF 98 2HC8 RBF 98 0.986 8.613 -22.655 1464 3HC8 RBF 98 3HC8 RBF 98 -0.374 9.028 -21.589 1465 HC9 RBF 98 HC9 RBF 98 0.334 9.199 -19.381 1466 1HC1 RBF 98 1HC1 RBF 98 0.929 10.327 -17.779 1467 2HC1 RBF 98 2HC1 RBF 98 0.989 10.109 -16.018 1468 HC2* RBF 98 HC2* RBF 98 -1.058 9.011 -15.948 1469 HO2* RBF 98 HO2* RBF 98 -0.774 7.294 -17.301 1470 HC3* RBF 98 HC3* RBF 98 -2.590 10.086 -17.684 1471 HO3* RBF 98 HO3* RBF 98 -1.516 10.648 -19.451 1472 HC4* RBF 98 HC4* RBF 98 -0.587 11.855 -16.218 1473 HO4* RBF 98 HO4* RBF 98 -1.521 10.836 -14.574 1474 1HC5 RBF 98 1HC5 RBF 98 -3.430 12.386 -17.175 1475 2HC5 RBF 98 2HC5 RBF 98 -2.441 13.499 -16.207 1476 HO5* RBF 98 HO5* RBF 98 -2.135 14.106 -18.341 1477 HN3 RBF 99 HN3 RBF 99 -18.746 -6.346 -12.201 1478 HC6 RBF 99 HC6 RBF 99 -17.941 -5.597 -19.074 1479 1HC7 RBF 99 1HC7 RBF 99 -17.175 -5.485 -21.314 1480 2HC7 RBF 99 2HC7 RBF 99 -17.505 -7.116 -21.935 1481 3HC7 RBF 99 3HC7 RBF 99 -15.837 -6.510 -21.873 1482 1HC8 RBF 99 1HC8 RBF 99 -14.547 -8.089 -21.454 1483 2HC8 RBF 99 2HC8 RBF 99 -15.847 -9.292 -21.588 1484 3HC8 RBF 99 3HC8 RBF 99 -14.448 -9.608 -20.539 1485 HC9 RBF 99 HC9 RBF 99 -15.076 -9.578 -18.299 1486 1HC1 RBF 99 1HC1 RBF 99 -15.609 -10.557 -16.581 1487 2HC1 RBF 99 2HC1 RBF 99 -15.608 -10.179 -14.847 1488 HC2* RBF 99 HC2* RBF 99 -13.567 -9.078 -14.947 1489 HO2* RBF 99 HO2* RBF 99 -13.903 -7.491 -16.442 1490 HC3* RBF 99 HC3* RBF 99 -12.092 -10.305 -16.634 1491 HO3* RBF 99 HO3* RBF 99 -13.224 -11.026 -18.303 1492 HC4* RBF 99 HC4* RBF 99 -14.034 -11.935 -14.944 1493 HO4* RBF 99 HO4* RBF 99 -13.045 -10.771 -13.433 1494 1HC5 RBF 99 1HC5 RBF 99 -11.223 -12.548 -15.950 1495 2HC5 RBF 99 2HC5 RBF 99 -12.173 -13.569 -14.850 1496 HO5* RBF 99 HO5* RBF 99 -12.551 -14.369 -16.908 Start of MODEL 9 1 1H MET 1 1HT MET 1 -14.166 -0.241 -29.270 2 2H MET 1 2HT MET 1 -15.161 -1.219 -30.239 3 3H MET 1 3HT MET 1 -13.472 -1.307 -30.391 4 HA MET 1 HA MET 1 -15.221 -2.491 -28.368 5 1HB MET 1 2HB MET 1 -12.579 -3.172 -29.705 6 2HB MET 1 1HB MET 1 -13.513 -4.266 -28.683 7 1HG MET 1 2HG MET 1 -15.426 -4.067 -30.260 8 2HG MET 1 1HG MET 1 -14.438 -3.042 -31.300 9 1HE MET 1 1HE MET 1 -14.500 -7.513 -30.791 10 2HE MET 1 2HE MET 1 -15.810 -6.469 -31.335 11 3HE MET 1 3HE MET 1 -15.160 -6.279 -29.708 12 H PHE 2 HN PHE 2 -14.066 -3.246 -26.336 13 HA PHE 2 HA PHE 2 -11.572 -2.072 -25.550 14 1HB PHE 2 2HB PHE 2 -12.372 -0.435 -23.972 15 2HB PHE 2 1HB PHE 2 -13.189 -0.102 -25.493 16 HD1 PHE 2 HD1 PHE 2 -15.527 0.167 -25.475 17 HD2 PHE 2 HD2 PHE 2 -13.646 -2.119 -22.348 18 HE1 PHE 2 HE1 PHE 2 -17.708 -0.104 -24.344 19 HE2 PHE 2 HE2 PHE 2 -15.840 -2.386 -21.229 20 HZ PHE 2 HZ PHE 2 -17.871 -1.382 -22.231 21 H THR 3 HN THR 3 -10.962 -2.911 -23.422 22 HA THR 3 HA THR 3 -12.965 -4.539 -22.002 23 HB THR 3 HB THR 3 -11.684 -6.581 -22.245 24 HG1 THR 3 HG1 THR 3 -9.702 -6.599 -23.163 25 1HG2 THR 3 1HG2 THR 3 -13.186 -5.885 -24.143 26 2HG2 THR 3 2HG2 THR 3 -11.872 -6.956 -24.630 27 3HG2 THR 3 3HG2 THR 3 -11.768 -5.225 -24.958 28 H GLY 4 HN GLY 4 -9.603 -3.416 -22.282 29 1HA GLY 4 2HA GLY 4 -7.998 -2.981 -20.630 30 2HA GLY 4 1HA GLY 4 -9.355 -2.345 -19.695 31 H ILE 5 HN ILE 5 -9.452 -5.639 -20.780 32 HA ILE 5 HA ILE 5 -9.665 -6.561 -18.011 33 HB ILE 5 HB ILE 5 -9.577 -8.000 -20.686 34 1HG1 ILE 5 2HG1 ILE 5 -11.918 -7.171 -18.939 35 2HG1 ILE 5 1HG1 ILE 5 -11.418 -6.335 -20.409 36 1HG2 ILE 5 1HG2 ILE 5 -9.091 -9.339 -18.529 37 2HG2 ILE 5 2HG2 ILE 5 -10.384 -9.928 -19.574 38 3HG2 ILE 5 3HG2 ILE 5 -10.776 -9.024 -18.112 39 1HD1 ILE 5 1HD1 ILE 5 -11.587 -8.908 -21.310 40 2HD1 ILE 5 2HD1 ILE 5 -12.902 -7.737 -21.423 41 3HD1 ILE 5 3HD1 ILE 5 -12.863 -8.895 -20.094 42 H VAL 6 HN VAL 6 -7.979 -7.197 -16.777 43 HA VAL 6 HA VAL 6 -5.298 -7.087 -17.893 44 HB VAL 6 HB VAL 6 -6.665 -7.162 -15.253 45 1HG1 VAL 6 1HG1 VAL 6 -3.779 -8.013 -15.626 46 2HG1 VAL 6 2HG1 VAL 6 -5.063 -8.934 -14.844 47 3HG1 VAL 6 3HG1 VAL 6 -4.449 -7.463 -14.091 48 1HG2 VAL 6 1HG2 VAL 6 -5.996 -5.022 -15.422 49 2HG2 VAL 6 2HG2 VAL 6 -5.086 -5.397 -16.886 50 3HG2 VAL 6 3HG2 VAL 6 -4.323 -5.572 -15.306 51 H GLN 7 HN GLN 7 -3.872 -8.733 -18.218 52 HA GLN 7 HA GLN 7 -4.810 -11.450 -18.490 53 1HB GLN 7 2HB GLN 7 -2.110 -10.083 -18.556 54 2HB GLN 7 1HB GLN 7 -2.327 -11.793 -18.932 55 1HG GLN 7 2HG GLN 7 -3.920 -11.204 -20.721 56 2HG GLN 7 1HG GLN 7 -3.706 -9.493 -20.349 57 1HE2 GLN 7 1HE2 GLN 7 -2.921 -11.242 -22.803 58 2HE2 GLN 7 2HE2 GLN 7 -1.290 -10.849 -23.059 59 H GLY 8 HN GLY 8 -2.921 -9.722 -15.982 60 1HA GLY 8 2HA GLY 8 -3.227 -12.086 -14.203 61 2HA GLY 8 1HA GLY 8 -1.586 -11.643 -14.668 62 H THR 9 HN THR 9 -2.012 -11.547 -12.026 63 HA THR 9 HA THR 9 -2.622 -8.675 -11.421 64 HB THR 9 HB THR 9 -3.130 -9.746 -9.111 65 HG1 THR 9 HG1 THR 9 -2.128 -11.790 -10.147 66 1HG2 THR 9 1HG2 THR 9 -4.714 -10.014 -11.643 67 2HG2 THR 9 2HG2 THR 9 -4.997 -8.958 -10.259 68 3HG2 THR 9 3HG2 THR 9 -5.360 -10.682 -10.143 69 H ALA 10 HN ALA 10 -1.523 -7.940 -9.355 70 HA ALA 10 HA ALA 10 1.220 -9.083 -9.001 71 1HB ALA 10 1HB ALA 10 0.399 -6.662 -10.360 72 2HB ALA 10 2HB ALA 10 2.030 -7.308 -10.150 73 3HB ALA 10 3HB ALA 10 1.341 -6.245 -8.925 74 H LYS 11 HN LYS 11 2.073 -8.650 -6.897 75 HA LYS 11 HA LYS 11 0.020 -7.691 -4.931 76 1HB LYS 11 2HB LYS 11 0.808 -10.011 -4.729 77 2HB LYS 11 1HB LYS 11 2.470 -9.442 -4.645 78 1HG LYS 11 2HG LYS 11 1.999 -8.222 -2.586 79 2HG LYS 11 1HG LYS 11 0.300 -8.682 -2.676 80 1HD LYS 11 2HD LYS 11 0.703 -10.728 -1.806 81 2HD LYS 11 1HD LYS 11 2.105 -10.981 -2.847 82 1HE LYS 11 2HE LYS 11 3.413 -9.430 -1.329 83 2HE LYS 11 1HE LYS 11 2.024 -9.459 -0.223 84 1HZ LYS 11 1HZ LYS 11 2.134 -11.941 -0.378 85 2HZ LYS 11 2HZ LYS 11 3.446 -11.223 0.430 86 3HZ LYS 11 3HZ LYS 11 3.625 -11.771 -1.168 87 H LEU 12 HN LEU 12 0.427 -5.624 -4.232 88 HA LEU 12 HA LEU 12 2.917 -4.215 -4.442 89 1HB LEU 12 2HB LEU 12 0.432 -3.474 -3.929 90 2HB LEU 12 1HB LEU 12 0.881 -3.784 -2.268 91 HG LEU 12 HG LEU 12 2.691 -2.180 -2.389 92 1HD1 LEU 12 1HD1 LEU 12 3.618 -2.370 -4.526 93 2HD1 LEU 12 2HD1 LEU 12 2.766 -0.830 -4.649 94 3HD1 LEU 12 3HD1 LEU 12 2.047 -2.293 -5.322 95 1HD2 LEU 12 1HD2 LEU 12 0.978 -0.330 -3.691 96 2HD2 LEU 12 2HD2 LEU 12 1.118 -0.619 -1.958 97 3HD2 LEU 12 3HD2 LEU 12 -0.070 -1.513 -2.909 98 H VAL 13 HN VAL 13 4.722 -4.472 -3.216 99 HA VAL 13 HA VAL 13 4.440 -5.916 -0.606 100 HB VAL 13 HB VAL 13 5.340 -7.460 -2.130 101 1HG1 VAL 13 1HG1 VAL 13 7.569 -6.426 -3.369 102 2HG1 VAL 13 2HG1 VAL 13 6.431 -5.081 -3.420 103 3HG1 VAL 13 3HG1 VAL 13 5.986 -6.641 -4.120 104 1HG2 VAL 13 1HG2 VAL 13 6.689 -7.266 -0.071 105 2HG2 VAL 13 2HG2 VAL 13 7.715 -6.072 -0.867 106 3HG2 VAL 13 3HG2 VAL 13 7.690 -7.739 -1.443 107 H SER 14 HN SER 14 6.044 -3.443 -2.499 108 HA SER 14 HA SER 14 7.051 -2.246 0.056 109 1HB SER 14 2HB SER 14 8.580 -3.859 -1.597 110 2HB SER 14 1HB SER 14 9.029 -2.233 -2.097 111 HG SER 14 HG SER 14 10.005 -3.441 -0.090 112 H ILE 15 HN ILE 15 7.100 -0.005 -0.010 113 HA ILE 15 HA ILE 15 6.564 1.304 -2.661 114 HB ILE 15 HB ILE 15 6.129 2.447 0.110 115 1HG1 ILE 15 2HG1 ILE 15 4.223 0.947 -1.704 116 2HG1 ILE 15 1HG1 ILE 15 4.762 0.465 -0.102 117 1HG2 ILE 15 1HG2 ILE 15 4.366 3.677 -1.537 118 2HG2 ILE 15 2HG2 ILE 15 5.637 3.297 -2.699 119 3HG2 ILE 15 3HG2 ILE 15 6.008 4.271 -1.278 120 1HD1 ILE 15 1HD1 ILE 15 2.556 2.155 -0.789 121 2HD1 ILE 15 2HD1 ILE 15 3.732 3.110 0.115 122 3HD1 ILE 15 3HD1 ILE 15 3.073 1.635 0.815 123 H ASP 16 HN ASP 16 8.127 2.649 -3.403 124 HA ASP 16 HA ASP 16 10.343 3.449 -1.564 125 1HB ASP 16 2HB ASP 16 10.115 2.902 -4.515 126 2HB ASP 16 1HB ASP 16 11.441 3.887 -3.895 127 H GLU 17 HN GLU 17 10.023 5.543 -0.864 128 HA GLU 17 HA GLU 17 8.474 7.377 -2.640 129 1HB GLU 17 2HB GLU 17 9.079 7.290 0.329 130 2HB GLU 17 1HB GLU 17 8.188 8.605 -0.440 131 1HG GLU 17 2HG GLU 17 6.513 6.991 -1.268 132 2HG GLU 17 1HG GLU 17 7.401 5.676 -0.497 133 H LYS 18 HN LYS 18 9.756 8.752 -3.819 134 HA LYS 18 HA LYS 18 12.217 9.865 -2.505 135 1HB LYS 18 2HB LYS 18 11.705 9.909 -5.470 136 2HB LYS 18 1HB LYS 18 13.243 9.835 -4.615 137 1HG LYS 18 2HG LYS 18 12.302 7.491 -3.803 138 2HG LYS 18 1HG LYS 18 11.326 7.628 -5.268 139 1HD LYS 18 2HD LYS 18 14.344 7.902 -5.174 140 2HD LYS 18 1HD LYS 18 13.482 6.447 -5.675 141 1HE LYS 18 2HE LYS 18 13.317 7.296 -7.767 142 2HE LYS 18 1HE LYS 18 12.378 8.658 -7.124 143 1HZ LYS 18 1HZ LYS 18 14.646 9.141 -8.223 144 2HZ LYS 18 2HZ LYS 18 15.304 8.560 -6.767 145 3HZ LYS 18 3HZ LYS 18 14.271 9.910 -6.759 146 HA PRO 19 HA PRO 19 9.926 13.660 -2.372 147 1HB PRO 19 2HB PRO 19 12.237 15.281 -2.523 148 2HB PRO 19 1HB PRO 19 11.451 14.712 -1.039 149 1HG PRO 19 2HG PRO 19 13.833 13.650 -2.442 150 2HG PRO 19 1HG PRO 19 13.450 13.667 -0.714 151 1HD PRO 19 2HD PRO 19 13.292 11.420 -2.183 152 2HD PRO 19 1HD PRO 19 12.168 11.748 -0.842 153 H ASN 20 HN ASN 20 12.183 12.702 -4.827 154 HA ASN 20 HA ASN 20 11.505 14.898 -6.684 155 1HB ASN 20 2HB ASN 20 12.763 12.308 -7.534 156 2HB ASN 20 1HB ASN 20 13.166 13.950 -8.026 157 1HD2 ASN 20 1HD2 ASN 20 13.287 14.894 -5.166 158 2HD2 ASN 20 2HD2 ASN 20 14.720 14.249 -4.540 159 H PHE 21 HN PHE 21 10.836 11.451 -6.250 160 HA PHE 21 HA PHE 21 8.283 11.692 -7.726 161 1HB PHE 21 2HB PHE 21 10.581 9.933 -8.650 162 2HB PHE 21 1HB PHE 21 8.981 10.001 -9.386 163 HD1 PHE 21 HD1 PHE 21 12.246 11.555 -9.168 164 HD2 PHE 21 HD2 PHE 21 8.175 12.181 -10.400 165 HE1 PHE 21 HE1 PHE 21 12.961 13.490 -10.548 166 HE2 PHE 21 HE2 PHE 21 8.891 14.116 -11.780 167 HZ PHE 21 HZ PHE 21 11.284 14.771 -11.854 168 H ARG 22 HN ARG 22 6.889 9.884 -7.277 169 HA ARG 22 HA ARG 22 7.709 8.265 -4.942 170 1HB ARG 22 2HB ARG 22 5.513 9.441 -5.075 171 2HB ARG 22 1HB ARG 22 5.090 8.424 -6.449 172 1HG ARG 22 2HG ARG 22 5.304 6.415 -5.068 173 2HG ARG 22 1HG ARG 22 5.794 7.398 -3.689 174 1HD ARG 22 2HD ARG 22 3.610 8.550 -3.714 175 2HD ARG 22 1HD ARG 22 3.106 7.563 -5.102 176 HE ARG 22 HE ARG 22 3.910 5.647 -3.336 177 1HH1 ARG 22 1HH1 ARG 22 1.881 8.433 -3.042 178 2HH1 ARG 22 2HH1 ARG 22 0.917 7.751 -1.777 179 1HH2 ARG 22 1HH2 ARG 22 2.656 4.757 -1.690 180 2HH2 ARG 22 2HH2 ARG 22 1.353 5.676 -1.012 181 H THR 23 HN THR 23 7.917 6.049 -5.010 182 HA THR 23 HA THR 23 7.841 4.740 -7.702 183 HB THR 23 HB THR 23 9.841 4.486 -5.428 184 HG1 THR 23 HG1 THR 23 9.753 5.911 -7.839 185 1HG2 THR 23 1HG2 THR 23 11.014 3.386 -7.633 186 2HG2 THR 23 2HG2 THR 23 9.331 2.924 -7.888 187 3HG2 THR 23 3HG2 THR 23 10.161 2.453 -6.404 188 H HIS 24 HN HIS 24 6.777 2.745 -7.700 189 HA HIS 24 HA HIS 24 6.176 1.548 -5.019 190 1HB HIS 24 2HB HIS 24 4.492 2.552 -7.165 191 2HB HIS 24 1HB HIS 24 4.108 0.879 -6.750 192 HD1 HIS 24 HD1 HIS 24 2.857 3.964 -5.863 193 HD2 HIS 24 HD2 HIS 24 4.496 0.918 -3.542 194 HE1 HIS 24 HE1 HIS 24 2.056 4.356 -3.489 195 H VAL 25 HN VAL 25 6.374 -0.691 -4.872 196 HA VAL 25 HA VAL 25 7.176 -2.121 -7.379 197 HB VAL 25 HB VAL 25 8.090 -2.709 -4.567 198 1HG1 VAL 25 1HG1 VAL 25 8.580 -3.809 -7.226 199 2HG1 VAL 25 2HG1 VAL 25 8.933 -4.503 -5.644 200 3HG1 VAL 25 3HG1 VAL 25 10.073 -3.382 -6.389 201 1HG2 VAL 25 1HG2 VAL 25 9.445 -0.912 -4.604 202 2HG2 VAL 25 2HG2 VAL 25 8.707 -0.407 -6.124 203 3HG2 VAL 25 3HG2 VAL 25 10.130 -1.447 -6.139 204 H VAL 26 HN VAL 26 6.062 -3.941 -7.815 205 HA VAL 26 HA VAL 26 4.223 -5.034 -5.715 206 HB VAL 26 HB VAL 26 2.824 -5.662 -7.691 207 1HG1 VAL 26 1HG1 VAL 26 3.630 -2.839 -7.107 208 2HG1 VAL 26 2HG1 VAL 26 2.072 -3.631 -6.864 209 3HG1 VAL 26 3HG1 VAL 26 2.564 -3.128 -8.481 210 1HG2 VAL 26 1HG2 VAL 26 4.783 -5.820 -9.266 211 2HG2 VAL 26 2HG2 VAL 26 4.861 -4.059 -9.267 212 3HG2 VAL 26 3HG2 VAL 26 3.436 -4.879 -9.905 213 H GLU 27 HN GLU 27 3.689 -7.433 -6.243 214 HA GLU 27 HA GLU 27 6.215 -8.895 -6.787 215 1HB GLU 27 2HB GLU 27 4.435 -8.971 -4.750 216 2HB GLU 27 1HB GLU 27 3.719 -10.165 -5.826 217 1HG GLU 27 2HG GLU 27 5.653 -11.536 -5.778 218 2HG GLU 27 1HG GLU 27 6.645 -10.248 -5.098 219 H LEU 28 HN LEU 28 6.380 -9.609 -8.858 220 HA LEU 28 HA LEU 28 4.032 -9.839 -10.582 221 1HB LEU 28 2HB LEU 28 6.656 -9.087 -10.737 222 2HB LEU 28 1HB LEU 28 6.727 -10.698 -11.426 223 HG LEU 28 HG LEU 28 6.347 -9.063 -13.197 224 1HD1 LEU 28 1HD1 LEU 28 3.650 -10.298 -12.730 225 2HD1 LEU 28 2HD1 LEU 28 5.049 -11.309 -13.091 226 3HD1 LEU 28 3HD1 LEU 28 4.521 -10.080 -14.243 227 1HD2 LEU 28 1HD2 LEU 28 5.402 -7.179 -12.207 228 2HD2 LEU 28 2HD2 LEU 28 4.231 -8.123 -11.287 229 3HD2 LEU 28 3HD2 LEU 28 3.997 -7.873 -13.017 230 HA PRO 29 HA PRO 29 3.679 -14.128 -9.256 231 1HB PRO 29 2HB PRO 29 1.598 -14.717 -10.962 232 2HB PRO 29 1HB PRO 29 1.405 -13.993 -9.358 233 1HG PRO 29 2HG PRO 29 1.369 -12.702 -12.031 234 2HG PRO 29 1HG PRO 29 0.421 -12.332 -10.583 235 1HD PRO 29 2HD PRO 29 2.529 -10.843 -11.372 236 2HD PRO 29 1HD PRO 29 2.081 -11.040 -9.667 237 H ASP 30 HN ASP 30 3.518 -16.261 -10.547 238 HA ASP 30 HA ASP 30 5.812 -16.443 -12.185 239 1HB ASP 30 2HB ASP 30 4.828 -18.771 -12.614 240 2HB ASP 30 1HB ASP 30 5.037 -18.314 -10.924 241 H HIS 31 HN HIS 31 2.375 -16.178 -13.115 242 HA HIS 31 HA HIS 31 3.082 -16.715 -15.919 243 1HB HIS 31 2HB HIS 31 0.661 -16.716 -16.238 244 2HB HIS 31 1HB HIS 31 1.062 -17.644 -14.798 245 HD1 HIS 31 HD1 HIS 31 1.571 -14.529 -13.446 246 HD2 HIS 31 HD2 HIS 31 -1.901 -16.396 -14.787 247 HE1 HIS 31 HE1 HIS 31 -0.360 -13.357 -12.303 248 H MET 32 HN MET 32 3.251 -14.013 -14.061 249 HA MET 32 HA MET 32 2.906 -12.283 -16.482 250 1HB MET 32 2HB MET 32 2.645 -11.692 -13.522 251 2HB MET 32 1HB MET 32 2.751 -10.424 -14.743 252 1HG MET 32 2HG MET 32 0.659 -12.618 -14.705 253 2HG MET 32 1HG MET 32 0.395 -10.960 -14.160 254 1HE MET 32 1HE MET 32 0.354 -8.744 -17.014 255 2HE MET 32 2HE MET 32 2.000 -9.122 -16.514 256 3HE MET 32 3HE MET 32 0.721 -9.029 -15.306 257 H LEU 33 HN LEU 33 5.053 -13.659 -14.171 258 HA LEU 33 HA LEU 33 7.176 -11.723 -14.177 259 1HB LEU 33 2HB LEU 33 6.829 -14.658 -13.652 260 2HB LEU 33 1HB LEU 33 8.464 -14.006 -13.755 261 HG LEU 33 HG LEU 33 6.387 -12.679 -12.009 262 1HD1 LEU 33 1HD1 LEU 33 8.135 -14.280 -10.435 263 2HD1 LEU 33 2HD1 LEU 33 7.459 -15.329 -11.681 264 3HD1 LEU 33 3HD1 LEU 33 6.386 -14.438 -10.602 265 1HD2 LEU 33 1HD2 LEU 33 8.657 -11.651 -12.660 266 2HD2 LEU 33 2HD2 LEU 33 9.383 -12.910 -11.660 267 3HD2 LEU 33 3HD2 LEU 33 8.288 -11.731 -10.937 268 H ASP 34 HN ASP 34 6.392 -14.472 -16.298 269 HA ASP 34 HA ASP 34 8.778 -14.434 -17.866 270 1HB ASP 34 2HB ASP 34 7.120 -16.260 -17.764 271 2HB ASP 34 1HB ASP 34 5.929 -15.227 -18.555 272 H GLY 35 HN GLY 35 9.431 -13.049 -19.470 273 1HA GLY 35 2HA GLY 35 9.130 -11.702 -21.412 274 2HA GLY 35 1HA GLY 35 7.409 -11.600 -21.047 275 H LEU 36 HN LEU 36 7.650 -10.669 -18.334 276 HA LEU 36 HA LEU 36 7.731 -7.875 -18.812 277 1HB LEU 36 2HB LEU 36 6.502 -8.965 -16.987 278 2HB LEU 36 1HB LEU 36 8.026 -9.448 -16.239 279 HG LEU 36 HG LEU 36 8.666 -7.082 -15.985 280 1HD1 LEU 36 1HD1 LEU 36 6.160 -5.802 -16.411 281 2HD1 LEU 36 2HD1 LEU 36 6.524 -6.729 -17.866 282 3HD1 LEU 36 3HD1 LEU 36 7.672 -5.529 -17.276 283 1HD2 LEU 36 1HD2 LEU 36 6.710 -6.439 -14.414 284 2HD2 LEU 36 2HD2 LEU 36 7.568 -7.942 -14.070 285 3HD2 LEU 36 3HD2 LEU 36 6.004 -7.986 -14.882 286 H GLU 37 HN GLU 37 9.282 -6.310 -18.415 287 HA GLU 37 HA GLU 37 11.935 -7.067 -17.328 288 1HB GLU 37 2HB GLU 37 13.031 -6.258 -19.404 289 2HB GLU 37 1HB GLU 37 11.958 -7.617 -19.746 290 1HG GLU 37 2HG GLU 37 10.171 -6.015 -20.394 291 2HG GLU 37 1HG GLU 37 11.291 -4.682 -20.117 292 H THR 38 HN THR 38 13.290 -5.028 -17.048 293 HA THR 38 HA THR 38 11.726 -2.850 -15.982 294 HB THR 38 HB THR 38 14.278 -1.903 -16.418 295 HG1 THR 38 HG1 THR 38 15.623 -3.675 -16.119 296 1HG2 THR 38 1HG2 THR 38 12.908 -3.394 -14.233 297 2HG2 THR 38 2HG2 THR 38 13.535 -1.748 -14.244 298 3HG2 THR 38 3HG2 THR 38 14.641 -3.112 -14.082 299 H GLY 39 HN GLY 39 11.461 -0.723 -16.883 300 1HA GLY 39 2HA GLY 39 11.250 0.874 -18.608 301 2HA GLY 39 1HA GLY 39 12.307 -0.114 -19.612 302 H ALA 40 HN ALA 40 10.052 -2.190 -18.403 303 HA ALA 40 HA ALA 40 8.527 -2.343 -20.892 304 1HB ALA 40 1HB ALA 40 8.438 -3.665 -18.166 305 2HB ALA 40 2HB ALA 40 9.052 -4.351 -19.672 306 3HB ALA 40 3HB ALA 40 7.319 -4.093 -19.462 307 H SER 41 HN SER 41 6.127 -2.035 -20.929 308 HA SER 41 HA SER 41 5.287 0.092 -18.998 309 1HB SER 41 2HB SER 41 3.335 0.019 -20.836 310 2HB SER 41 1HB SER 41 4.834 0.896 -21.112 311 HG SER 41 HG SER 41 4.707 -0.389 -22.845 312 H VAL 42 HN VAL 42 4.329 -0.818 -17.239 313 HA VAL 42 HA VAL 42 2.549 -3.183 -17.591 314 HB VAL 42 HB VAL 42 4.205 -1.985 -15.419 315 1HG1 VAL 42 1HG1 VAL 42 2.718 -3.542 -13.854 316 2HG1 VAL 42 2HG1 VAL 42 1.456 -3.029 -14.976 317 3HG1 VAL 42 3HG1 VAL 42 2.369 -1.825 -14.065 318 1HG2 VAL 42 1HG2 VAL 42 4.353 -4.251 -16.852 319 2HG2 VAL 42 2HG2 VAL 42 3.360 -4.823 -15.507 320 3HG2 VAL 42 3HG2 VAL 42 4.957 -4.139 -15.196 321 H ALA 43 HN ALA 43 0.384 -2.778 -17.676 322 HA ALA 43 HA ALA 43 -0.640 -0.134 -16.767 323 1HB ALA 43 1HB ALA 43 -1.201 -1.725 -18.926 324 2HB ALA 43 2HB ALA 43 -2.313 -0.520 -18.276 325 3HB ALA 43 3HB ALA 43 -2.473 -2.212 -17.805 326 H HIS 44 HN HIS 44 -1.281 -0.041 -14.666 327 HA HIS 44 HA HIS 44 -1.885 -2.511 -13.155 328 1HB HIS 44 2HB HIS 44 -1.410 0.405 -12.599 329 2HB HIS 44 1HB HIS 44 -2.246 -0.559 -11.385 330 HD1 HIS 44 HD1 HIS 44 0.573 -1.924 -13.560 331 HD2 HIS 44 HD2 HIS 44 -0.101 -0.757 -9.602 332 HE1 HIS 44 HE1 HIS 44 2.615 -2.629 -12.232 333 HE2 HIS 44 HE2 HIS 44 2.216 -1.913 -9.841 334 H ASN 45 HN ASN 45 -3.881 -3.237 -13.746 335 HA ASN 45 HA ASN 45 -6.191 -3.312 -14.118 336 1HB ASN 45 2HB ASN 45 -5.872 -1.999 -11.815 337 2HB ASN 45 1HB ASN 45 -6.534 -0.671 -12.772 338 1HD2 ASN 45 1HD2 ASN 45 -7.332 -3.610 -11.127 339 2HD2 ASN 45 2HD2 ASN 45 -8.950 -3.705 -11.614 340 H GLY 46 HN GLY 46 -4.156 -1.313 -15.643 341 1HA GLY 46 2HA GLY 46 -4.965 -0.836 -17.968 342 2HA GLY 46 1HA GLY 46 -6.363 -0.067 -17.223 343 H CYS 47 HN CYS 47 -3.781 0.747 -15.273 344 HA CYS 47 HA CYS 47 -3.425 3.337 -16.725 345 1HB CYS 47 2HB CYS 47 -4.157 3.169 -14.280 346 2HB CYS 47 1HB CYS 47 -2.540 2.559 -13.931 347 HG CYS 47 HG CYS 47 -2.086 5.049 -15.416 348 H CYS 48 HN CYS 48 -1.753 3.042 -18.199 349 HA CYS 48 HA CYS 48 0.329 1.102 -17.802 350 1HB CYS 48 2HB CYS 48 1.226 2.189 -19.890 351 2HB CYS 48 1HB CYS 48 -0.477 1.736 -19.999 352 HG CYS 48 HG CYS 48 0.415 4.450 -20.516 353 H LEU 49 HN LEU 49 2.231 1.312 -16.757 354 HA LEU 49 HA LEU 49 3.543 3.963 -16.629 355 1HB LEU 49 2HB LEU 49 4.034 3.400 -14.153 356 2HB LEU 49 1HB LEU 49 2.397 3.927 -14.543 357 HG LEU 49 HG LEU 49 2.772 1.032 -14.832 358 1HD1 LEU 49 1HD1 LEU 49 3.694 2.430 -12.407 359 2HD1 LEU 49 2HD1 LEU 49 4.024 0.782 -12.950 360 3HD1 LEU 49 3HD1 LEU 49 2.523 1.143 -12.095 361 1HD2 LEU 49 1HD2 LEU 49 0.675 2.768 -14.531 362 2HD2 LEU 49 2HD2 LEU 49 0.855 2.176 -12.880 363 3HD2 LEU 49 3HD2 LEU 49 0.567 1.039 -14.198 364 H THR 50 HN THR 50 5.896 3.702 -16.123 365 HA THR 50 HA THR 50 6.816 1.213 -17.433 366 HB THR 50 HB THR 50 8.396 3.711 -16.782 367 HG1 THR 50 HG1 THR 50 6.665 4.480 -17.857 368 1HG2 THR 50 1HG2 THR 50 8.584 1.886 -19.184 369 2HG2 THR 50 2HG2 THR 50 9.480 1.567 -17.700 370 3HG2 THR 50 3HG2 THR 50 9.774 3.050 -18.608 371 H VAL 51 HN VAL 51 8.468 -0.098 -16.628 372 HA VAL 51 HA VAL 51 8.672 -0.325 -13.732 373 HB VAL 51 HB VAL 51 10.258 -1.692 -15.933 374 1HG1 VAL 51 1HG1 VAL 51 9.731 -3.530 -13.979 375 2HG1 VAL 51 2HG1 VAL 51 9.927 -2.055 -13.032 376 3HG1 VAL 51 3HG1 VAL 51 11.222 -2.597 -14.096 377 1HG2 VAL 51 1HG2 VAL 51 7.430 -1.705 -15.399 378 2HG2 VAL 51 2HG2 VAL 51 8.106 -3.300 -15.062 379 3HG2 VAL 51 3HG2 VAL 51 8.328 -2.563 -16.650 380 H THR 52 HN THR 52 10.009 1.021 -12.583 381 HA THR 52 HA THR 52 12.359 2.339 -13.692 382 HB THR 52 HB THR 52 12.621 3.107 -11.410 383 HG1 THR 52 HG1 THR 52 10.657 1.234 -10.632 384 1HG2 THR 52 1HG2 THR 52 10.333 3.474 -12.876 385 2HG2 THR 52 2HG2 THR 52 10.719 4.338 -11.388 386 3HG2 THR 52 3HG2 THR 52 9.685 2.910 -11.336 387 H GLU 53 HN GLU 53 11.742 -0.538 -11.674 388 HA GLU 53 HA GLU 53 14.298 -1.724 -12.532 389 1HB GLU 53 2HB GLU 53 14.916 -0.089 -10.755 390 2HB GLU 53 1HB GLU 53 13.828 -0.921 -9.642 391 1HG GLU 53 2HG GLU 53 15.131 -2.998 -9.914 392 2HG GLU 53 1HG GLU 53 16.223 -2.169 -11.023 393 H ILE 54 HN ILE 54 14.425 -3.975 -11.898 394 HA ILE 54 HA ILE 54 11.832 -5.116 -10.896 395 HB ILE 54 HB ILE 54 14.130 -6.190 -12.568 396 1HG1 ILE 54 2HG1 ILE 54 11.308 -6.337 -13.441 397 2HG1 ILE 54 1HG1 ILE 54 11.966 -4.708 -13.311 398 1HG2 ILE 54 1HG2 ILE 54 11.910 -7.977 -12.501 399 2HG2 ILE 54 2HG2 ILE 54 12.343 -7.607 -10.832 400 3HG2 ILE 54 3HG2 ILE 54 13.553 -8.270 -11.931 401 1HD1 ILE 54 1HD1 ILE 54 12.301 -6.401 -15.479 402 2HD1 ILE 54 2HD1 ILE 54 13.816 -6.586 -14.596 403 3HD1 ILE 54 3HD1 ILE 54 13.296 -4.985 -15.130 404 H ASN 55 HN ASN 55 11.844 -6.060 -8.939 405 HA ASN 55 HA ASN 55 14.449 -6.441 -7.531 406 1HB ASN 55 2HB ASN 55 11.597 -5.893 -6.781 407 2HB ASN 55 1HB ASN 55 12.636 -6.695 -5.601 408 1HD2 ASN 55 1HD2 ASN 55 12.565 -3.792 -7.733 409 2HD2 ASN 55 2HD2 ASN 55 13.496 -2.823 -6.695 410 H GLY 56 HN GLY 56 14.393 -8.441 -9.179 411 1HA GLY 56 2HA GLY 56 14.380 -10.816 -9.236 412 2HA GLY 56 1HA GLY 56 13.623 -10.820 -7.640 413 H ASN 57 HN ASN 57 11.555 -11.579 -7.680 414 HA ASN 57 HA ASN 57 10.008 -11.671 -10.154 415 1HB ASN 57 2HB ASN 57 8.808 -13.172 -8.941 416 2HB ASN 57 1HB ASN 57 10.043 -12.979 -7.720 417 1HD2 ASN 57 1HD2 ASN 57 7.097 -11.304 -8.809 418 2HD2 ASN 57 2HD2 ASN 57 6.533 -10.908 -7.261 419 H HIS 58 HN HIS 58 10.509 -9.427 -7.547 420 HA HIS 58 HA HIS 58 7.996 -8.005 -7.740 421 1HB HIS 58 2HB HIS 58 10.730 -7.535 -6.583 422 2HB HIS 58 1HB HIS 58 9.536 -6.241 -6.567 423 HD1 HIS 58 HD1 HIS 58 10.712 -8.596 -4.319 424 HD2 HIS 58 HD2 HIS 58 6.848 -7.683 -5.597 425 HE1 HIS 58 HE1 HIS 58 9.137 -9.446 -2.527 426 H VAL 59 HN VAL 59 7.774 -5.796 -8.558 427 HA VAL 59 HA VAL 59 9.933 -4.872 -10.359 428 HB VAL 59 HB VAL 59 7.044 -5.359 -11.102 429 1HG1 VAL 59 1HG1 VAL 59 7.249 -3.360 -12.201 430 2HG1 VAL 59 2HG1 VAL 59 8.167 -4.336 -13.350 431 3HG1 VAL 59 3HG1 VAL 59 9.011 -3.393 -12.122 432 1HG2 VAL 59 1HG2 VAL 59 8.819 -6.200 -13.095 433 2HG2 VAL 59 2HG2 VAL 59 8.021 -7.236 -11.912 434 3HG2 VAL 59 3HG2 VAL 59 9.638 -6.607 -11.583 435 H SER 60 HN SER 60 10.354 -2.795 -9.828 436 HA SER 60 HA SER 60 8.378 -1.174 -8.326 437 1HB SER 60 2HB SER 60 10.980 -1.497 -7.959 438 2HB SER 60 1HB SER 60 11.084 -0.257 -9.203 439 HG SER 60 HG SER 60 10.891 0.345 -6.832 440 H PHE 61 HN PHE 61 7.280 0.489 -9.328 441 HA PHE 61 HA PHE 61 8.213 1.333 -12.047 442 1HB PHE 61 2HB PHE 61 5.661 1.611 -12.460 443 2HB PHE 61 1HB PHE 61 6.329 -0.020 -12.475 444 HD1 PHE 61 HD1 PHE 61 4.282 2.400 -10.584 445 HD2 PHE 61 HD2 PHE 61 5.915 -1.577 -10.651 446 HE1 PHE 61 HE1 PHE 61 2.750 1.737 -8.746 447 HE2 PHE 61 HE2 PHE 61 4.387 -2.238 -8.816 448 HZ PHE 61 HZ PHE 61 2.802 -0.583 -7.862 449 H ASP 62 HN ASP 62 7.735 3.545 -12.583 450 HA ASP 62 HA ASP 62 7.932 5.239 -10.178 451 1HB ASP 62 2HB ASP 62 8.676 6.906 -11.778 452 2HB ASP 62 1HB ASP 62 9.399 5.364 -12.231 453 H LEU 63 HN LEU 63 6.648 7.015 -9.706 454 HA LEU 63 HA LEU 63 4.104 7.424 -11.172 455 1HB LEU 63 2HB LEU 63 4.523 5.695 -8.905 456 2HB LEU 63 1HB LEU 63 3.490 7.029 -8.424 457 HG LEU 63 HG LEU 63 2.669 6.097 -11.019 458 1HD1 LEU 63 1HD1 LEU 63 1.968 3.862 -9.374 459 2HD1 LEU 63 2HD1 LEU 63 3.726 4.040 -9.332 460 3HD1 LEU 63 3HD1 LEU 63 2.889 3.861 -10.878 461 1HD2 LEU 63 1HD2 LEU 63 1.529 7.037 -8.635 462 2HD2 LEU 63 2HD2 LEU 63 0.928 5.386 -8.779 463 3HD2 LEU 63 3HD2 LEU 63 0.644 6.542 -10.078 464 H MET 64 HN MET 64 4.020 9.674 -11.233 465 HA MET 64 HA MET 64 5.454 11.361 -9.357 466 1HB MET 64 2HB MET 64 3.363 11.730 -11.495 467 2HB MET 64 1HB MET 64 3.845 13.090 -10.486 468 1HG MET 64 2HG MET 64 6.190 12.738 -11.142 469 2HG MET 64 1HG MET 64 5.705 11.376 -12.151 470 1HE MET 64 1HE MET 64 6.756 14.303 -14.534 471 2HE MET 64 2HE MET 64 6.785 12.544 -14.442 472 3HE MET 64 3HE MET 64 7.420 13.500 -13.105 473 H LYS 65 HN LYS 65 4.639 12.396 -7.500 474 HA LYS 65 HA LYS 65 2.526 11.192 -6.032 475 1HB LYS 65 2HB LYS 65 4.383 12.528 -5.091 476 2HB LYS 65 1HB LYS 65 3.733 13.975 -5.865 477 1HG LYS 65 2HG LYS 65 1.649 13.740 -4.566 478 2HG LYS 65 1HG LYS 65 2.298 12.296 -3.787 479 1HD LYS 65 2HD LYS 65 4.158 13.628 -2.859 480 2HD LYS 65 1HD LYS 65 3.504 15.074 -3.629 481 1HE LYS 65 2HE LYS 65 1.382 14.753 -2.325 482 2HE LYS 65 1HE LYS 65 2.168 13.414 -1.463 483 1HZ LYS 65 1HZ LYS 65 2.867 16.279 -1.463 484 2HZ LYS 65 2HZ LYS 65 4.064 15.114 -1.153 485 3HZ LYS 65 3HZ LYS 65 2.699 15.222 -0.147 486 H GLU 66 HN GLU 66 2.587 14.197 -7.975 487 HA GLU 66 HA GLU 66 -0.200 14.825 -7.512 488 1HB GLU 66 2HB GLU 66 1.524 16.465 -8.179 489 2HB GLU 66 1HB GLU 66 1.741 15.618 -9.711 490 1HG GLU 66 2HG GLU 66 0.263 17.546 -10.034 491 2HG GLU 66 1HG GLU 66 -0.645 16.050 -10.262 492 H THR 67 HN THR 67 1.546 13.088 -10.112 493 HA THR 67 HA THR 67 -0.773 12.549 -11.752 494 HB THR 67 HB THR 67 1.743 10.930 -11.241 495 HG1 THR 67 HG1 THR 67 1.707 13.268 -12.081 496 1HG2 THR 67 1HG2 THR 67 1.289 10.057 -13.532 497 2HG2 THR 67 2HG2 THR 67 -0.248 10.921 -13.523 498 3HG2 THR 67 3HG2 THR 67 0.037 9.615 -12.372 499 H LEU 68 HN LEU 68 0.659 10.974 -8.925 500 HA LEU 68 HA LEU 68 -0.882 8.603 -8.877 501 1HB LEU 68 2HB LEU 68 1.146 9.107 -7.548 502 2HB LEU 68 1HB LEU 68 0.257 10.342 -6.660 503 HG LEU 68 HG LEU 68 -1.415 8.334 -6.195 504 1HD1 LEU 68 1HD1 LEU 68 1.246 7.007 -6.786 505 2HD1 LEU 68 2HD1 LEU 68 -0.306 6.667 -7.552 506 3HD1 LEU 68 3HD1 LEU 68 -0.042 6.234 -5.863 507 1HD2 LEU 68 1HD2 LEU 68 -0.649 8.823 -4.137 508 2HD2 LEU 68 2HD2 LEU 68 0.789 9.558 -4.849 509 3HD2 LEU 68 3HD2 LEU 68 0.785 7.840 -4.440 510 H ARG 69 HN ARG 69 -1.452 11.813 -7.425 511 HA ARG 69 HA ARG 69 -4.068 11.173 -6.337 512 1HB ARG 69 2HB ARG 69 -2.463 13.000 -5.642 513 2HB ARG 69 1HB ARG 69 -2.873 13.842 -7.136 514 1HG ARG 69 2HG ARG 69 -5.214 13.965 -6.477 515 2HG ARG 69 1HG ARG 69 -4.888 13.007 -5.031 516 1HD ARG 69 2HD ARG 69 -3.374 14.771 -4.193 517 2HD ARG 69 1HD ARG 69 -3.709 15.741 -5.641 518 HE ARG 69 HE ARG 69 -5.813 16.279 -4.714 519 1HH1 ARG 69 1HH1 ARG 69 -4.464 13.450 -3.254 520 2HH1 ARG 69 2HH1 ARG 69 -5.732 13.294 -2.087 521 1HH2 ARG 69 1HH2 ARG 69 -7.470 16.080 -3.197 522 2HH2 ARG 69 2HH2 ARG 69 -7.431 14.779 -2.053 523 H ILE 70 HN ILE 70 -2.922 12.662 -9.367 524 HA ILE 70 HA ILE 70 -5.439 13.488 -10.382 525 HB ILE 70 HB ILE 70 -2.775 13.627 -11.038 526 1HG1 ILE 70 2HG1 ILE 70 -5.087 14.285 -12.876 527 2HG1 ILE 70 1HG1 ILE 70 -4.578 15.277 -11.509 528 1HG2 ILE 70 1HG2 ILE 70 -2.720 12.839 -13.462 529 2HG2 ILE 70 2HG2 ILE 70 -4.136 11.863 -13.076 530 3HG2 ILE 70 3HG2 ILE 70 -2.611 11.576 -12.240 531 1HD1 ILE 70 1HD1 ILE 70 -2.276 15.378 -12.563 532 2HD1 ILE 70 2HD1 ILE 70 -3.539 16.205 -13.474 533 3HD1 ILE 70 3HD1 ILE 70 -2.972 14.616 -13.994 534 H THR 71 HN THR 71 -3.629 10.485 -10.709 535 HA THR 71 HA THR 71 -5.812 9.169 -12.192 536 HB THR 71 HB THR 71 -4.211 7.351 -12.350 537 HG1 THR 71 HG1 THR 71 -2.470 8.767 -10.654 538 1HG2 THR 71 1HG2 THR 71 -3.814 9.676 -13.521 539 2HG2 THR 71 2HG2 THR 71 -2.589 8.411 -13.616 540 3HG2 THR 71 3HG2 THR 71 -2.406 9.734 -12.466 541 H ASN 72 HN ASN 72 -6.077 6.757 -11.186 542 HA ASN 72 HA ASN 72 -6.764 7.103 -8.305 543 1HB ASN 72 2HB ASN 72 -8.662 6.397 -9.465 544 2HB ASN 72 1HB ASN 72 -7.727 5.483 -10.639 545 1HD2 ASN 72 1HD2 ASN 72 -8.746 3.457 -10.384 546 2HD2 ASN 72 2HD2 ASN 72 -8.730 2.580 -8.930 547 H LEU 73 HN LEU 73 -4.030 6.630 -9.617 548 HA LEU 73 HA LEU 73 -3.219 3.920 -8.917 549 1HB LEU 73 2HB LEU 73 -1.789 6.560 -9.357 550 2HB LEU 73 1HB LEU 73 -0.940 5.041 -9.076 551 HG LEU 73 HG LEU 73 -2.868 5.608 -11.353 552 1HD1 LEU 73 1HD1 LEU 73 0.132 5.162 -11.273 553 2HD1 LEU 73 2HD1 LEU 73 -0.682 6.683 -11.639 554 3HD1 LEU 73 3HD1 LEU 73 -0.830 5.316 -12.743 555 1HD2 LEU 73 1HD2 LEU 73 -1.361 3.246 -11.770 556 2HD2 LEU 73 2HD2 LEU 73 -3.096 3.368 -11.483 557 3HD2 LEU 73 3HD2 LEU 73 -1.993 3.142 -10.126 558 H GLY 74 HN GLY 74 -3.180 7.085 -7.263 559 1HA GLY 74 2HA GLY 74 -1.678 6.513 -5.017 560 2HA GLY 74 1HA GLY 74 -3.082 7.572 -4.973 561 H ASP 75 HN ASP 75 -4.768 5.178 -5.866 562 HA ASP 75 HA ASP 75 -5.741 4.483 -3.277 563 1HB ASP 75 2HB ASP 75 -7.222 3.041 -4.535 564 2HB ASP 75 1HB ASP 75 -6.926 4.478 -5.512 565 H LEU 76 HN LEU 76 -3.141 3.174 -5.134 566 HA LEU 76 HA LEU 76 -3.168 0.452 -4.325 567 1HB LEU 76 2HB LEU 76 -0.916 2.360 -4.978 568 2HB LEU 76 1HB LEU 76 -0.719 0.615 -4.866 569 HG LEU 76 HG LEU 76 -2.730 1.937 -6.702 570 1HD1 LEU 76 1HD1 LEU 76 -0.034 2.181 -7.009 571 2HD1 LEU 76 2HD1 LEU 76 -1.165 2.091 -8.359 572 3HD1 LEU 76 3HD1 LEU 76 -0.314 0.642 -7.825 573 1HD2 LEU 76 1HD2 LEU 76 -2.167 -0.767 -5.855 574 2HD2 LEU 76 2HD2 LEU 76 -1.878 -0.611 -7.590 575 3HD2 LEU 76 3HD2 LEU 76 -3.452 -0.188 -6.916 576 H LYS 77 HN LYS 77 -2.306 -0.608 -2.582 577 HA LYS 77 HA LYS 77 -0.785 0.903 -0.525 578 1HB LYS 77 2HB LYS 77 -3.364 -0.636 -0.086 579 2HB LYS 77 1HB LYS 77 -2.300 -0.132 1.228 580 1HG LYS 77 2HG LYS 77 -2.544 2.221 0.529 581 2HG LYS 77 1HG LYS 77 -3.612 1.721 -0.783 582 1HD LYS 77 2HD LYS 77 -5.195 0.779 0.859 583 2HD LYS 77 1HD LYS 77 -4.131 1.281 2.173 584 1HE LYS 77 2HE LYS 77 -5.473 3.155 2.145 585 2HE LYS 77 1HE LYS 77 -4.390 3.641 0.825 586 1HZ LYS 77 1HZ LYS 77 -6.321 3.698 -0.330 587 2HZ LYS 77 2HZ LYS 77 -7.112 2.605 0.702 588 3HZ LYS 77 3HZ LYS 77 -6.038 2.032 -0.483 589 H VAL 78 HN VAL 78 0.738 -0.477 0.523 590 HA VAL 78 HA VAL 78 1.505 -2.837 -0.860 591 HB VAL 78 HB VAL 78 2.104 -2.151 2.034 592 1HG1 VAL 78 1HG1 VAL 78 4.239 -3.144 0.279 593 2HG1 VAL 78 2HG1 VAL 78 2.890 -4.284 0.441 594 3HG1 VAL 78 3HG1 VAL 78 3.742 -3.711 1.877 595 1HG2 VAL 78 1HG2 VAL 78 3.107 -0.990 -0.557 596 2HG2 VAL 78 2HG2 VAL 78 4.098 -0.962 0.902 597 3HG2 VAL 78 3HG2 VAL 78 2.538 -0.142 0.880 598 H GLY 79 HN GLY 79 1.291 -5.033 -0.293 599 1HA GLY 79 2HA GLY 79 0.356 -6.905 0.847 600 2HA GLY 79 1HA GLY 79 -0.526 -5.791 1.896 601 H ASP 80 HN ASP 80 -1.130 -4.381 -0.882 602 HA ASP 80 HA ASP 80 -3.629 -5.922 -1.393 603 1HB ASP 80 2HB ASP 80 -3.503 -3.405 -0.952 604 2HB ASP 80 1HB ASP 80 -2.714 -3.262 -2.520 605 H TRP 81 HN TRP 81 -4.193 -6.179 -3.783 606 HA TRP 81 HA TRP 81 -1.695 -6.686 -5.371 607 1HB TRP 81 2HB TRP 81 -4.345 -8.135 -5.183 608 2HB TRP 81 1HB TRP 81 -3.211 -8.428 -6.497 609 HD1 TRP 81 HD1 TRP 81 -2.728 -8.041 -2.669 610 HE1 TRP 81 HE1 TRP 81 -1.250 -9.982 -1.857 611 HE3 TRP 81 HE3 TRP 81 -2.071 -10.548 -7.070 612 HZ2 TRP 81 HZ2 TRP 81 0.033 -12.307 -2.924 613 HZ3 TRP 81 HZ3 TRP 81 -0.718 -12.625 -7.146 614 HH2 TRP 81 HH2 TRP 81 0.334 -13.506 -5.077 615 H VAL 82 HN VAL 82 -1.888 -6.311 -7.672 616 HA VAL 82 HA VAL 82 -4.041 -4.390 -8.443 617 HB VAL 82 HB VAL 82 -2.017 -3.164 -8.340 618 1HG1 VAL 82 1HG1 VAL 82 -0.794 -5.734 -9.291 619 2HG1 VAL 82 2HG1 VAL 82 -0.366 -4.761 -7.884 620 3HG1 VAL 82 3HG1 VAL 82 0.074 -4.213 -9.504 621 1HG2 VAL 82 1HG2 VAL 82 -1.482 -4.039 -11.111 622 2HG2 VAL 82 2HG2 VAL 82 -1.841 -2.422 -10.492 623 3HG2 VAL 82 3HG2 VAL 82 -3.154 -3.563 -10.796 624 H ASN 83 HN ASN 83 -4.834 -4.604 -10.582 625 HA ASN 83 HA ASN 83 -4.513 -7.204 -11.935 626 1HB ASN 83 2HB ASN 83 -6.202 -4.800 -11.987 627 2HB ASN 83 1HB ASN 83 -5.832 -5.393 -13.598 628 1HD2 ASN 83 1HD2 ASN 83 -5.695 -8.231 -12.932 629 2HD2 ASN 83 2HD2 ASN 83 -7.263 -8.731 -12.528 630 H VAL 84 HN VAL 84 -2.444 -7.387 -12.856 631 HA VAL 84 HA VAL 84 -1.328 -4.948 -14.155 632 HB VAL 84 HB VAL 84 0.774 -6.594 -14.118 633 1HG1 VAL 84 1HG1 VAL 84 0.311 -4.375 -12.938 634 2HG1 VAL 84 2HG1 VAL 84 1.452 -5.464 -12.145 635 3HG1 VAL 84 3HG1 VAL 84 -0.207 -5.338 -11.552 636 1HG2 VAL 84 1HG2 VAL 84 0.763 -8.157 -12.329 637 2HG2 VAL 84 2HG2 VAL 84 -0.757 -8.447 -13.177 638 3HG2 VAL 84 3HG2 VAL 84 -0.747 -7.518 -11.678 639 H GLU 85 HN GLU 85 -0.824 -4.852 -16.258 640 HA GLU 85 HA GLU 85 -1.187 -7.319 -17.943 641 1HB GLU 85 2HB GLU 85 -3.202 -5.879 -17.946 642 2HB GLU 85 1HB GLU 85 -2.214 -4.506 -18.448 643 1HG GLU 85 2HG GLU 85 -1.589 -5.702 -20.513 644 2HG GLU 85 1HG GLU 85 -2.575 -7.077 -20.017 645 H ARG 86 HN ARG 86 0.317 -7.505 -19.624 646 HA ARG 86 HA ARG 86 2.696 -5.828 -19.456 647 1HB ARG 86 2HB ARG 86 2.693 -8.281 -19.803 648 2HB ARG 86 1HB ARG 86 1.886 -8.053 -21.356 649 1HG ARG 86 2HG ARG 86 3.801 -6.719 -22.159 650 2HG ARG 86 1HG ARG 86 4.611 -6.948 -20.609 651 1HD ARG 86 2HD ARG 86 4.473 -9.449 -21.002 652 2HD ARG 86 1HD ARG 86 3.917 -9.086 -22.648 653 HE ARG 86 HE ARG 86 6.629 -8.663 -21.629 654 1HH1 ARG 86 1HH1 ARG 86 4.192 -7.717 -23.891 655 2HH1 ARG 86 2HH1 ARG 86 5.325 -7.095 -25.043 656 1HH2 ARG 86 1HH2 ARG 86 8.109 -7.853 -23.125 657 2HH2 ARG 86 2HH2 ARG 86 7.538 -7.172 -24.610 658 H ALA 87 HN ALA 87 3.264 -4.147 -20.795 659 HA ALA 87 HA ALA 87 1.704 -3.736 -23.322 660 1HB ALA 87 1HB ALA 87 1.045 -1.688 -22.578 661 2HB ALA 87 2HB ALA 87 2.624 -1.348 -21.871 662 3HB ALA 87 3HB ALA 87 1.449 -2.312 -20.979 663 H ALA 88 HN ALA 88 2.925 -2.730 -25.024 664 HA ALA 88 HA ALA 88 5.897 -2.705 -24.571 665 1HB ALA 88 1HB ALA 88 6.059 -3.735 -26.770 666 2HB ALA 88 2HB ALA 88 4.330 -3.519 -27.037 667 3HB ALA 88 3HB ALA 88 4.897 -4.652 -25.810 668 H LYS 89 HN LYS 89 7.124 -1.235 -25.934 669 HA LYS 89 HA LYS 89 6.056 1.375 -26.086 670 1HB LYS 89 2HB LYS 89 8.364 0.095 -27.586 671 2HB LYS 89 1HB LYS 89 8.142 1.831 -27.357 672 1HG LYS 89 2HG LYS 89 8.469 -0.211 -25.136 673 2HG LYS 89 1HG LYS 89 9.706 0.921 -25.680 674 1HD LYS 89 2HD LYS 89 7.955 2.763 -25.188 675 2HD LYS 89 1HD LYS 89 7.113 1.516 -24.264 676 1HE LYS 89 2HE LYS 89 8.468 2.283 -22.564 677 2HE LYS 89 1HE LYS 89 9.653 1.196 -23.317 678 1HZ LYS 89 1HZ LYS 89 9.264 3.937 -24.338 679 2HZ LYS 89 2HZ LYS 89 10.612 2.916 -24.510 680 3HZ LYS 89 3HZ LYS 89 10.288 3.657 -23.015 681 H PHE 90 HN PHE 90 6.570 -0.968 -28.760 682 HA PHE 90 HA PHE 90 4.287 0.198 -30.207 683 1HB PHE 90 2HB PHE 90 5.605 0.958 -32.086 684 2HB PHE 90 1HB PHE 90 6.306 1.653 -30.627 685 HD1 PHE 90 HD1 PHE 90 6.733 -0.845 -33.295 686 HD2 PHE 90 HD2 PHE 90 8.452 0.868 -29.746 687 HE1 PHE 90 HE1 PHE 90 8.903 -1.927 -33.825 688 HE2 PHE 90 HE2 PHE 90 10.622 -0.213 -30.276 689 HZ PHE 90 HZ PHE 90 10.848 -1.610 -32.315 690 H SER 91 HN SER 91 3.760 -1.087 -32.127 691 HA SER 91 HA SER 91 5.287 -3.569 -32.601 692 1HB SER 91 2HB SER 91 2.553 -3.422 -31.330 693 2HB SER 91 1HB SER 91 3.072 -4.858 -32.209 694 HG SER 91 HG SER 91 3.605 -5.044 -30.022 695 H ASP 92 HN ASP 92 5.380 -3.532 -34.815 696 HA ASP 92 HA ASP 92 3.454 -2.174 -36.494 697 1HB ASP 92 2HB ASP 92 5.682 -4.173 -36.963 698 2HB ASP 92 1HB ASP 92 4.790 -3.405 -38.278 699 H GLU 93 HN GLU 93 3.967 -5.576 -35.578 700 HA GLU 93 HA GLU 93 1.185 -6.205 -36.331 701 1HB GLU 93 2HB GLU 93 3.637 -7.295 -37.735 702 2HB GLU 93 1HB GLU 93 2.079 -8.118 -37.796 703 1HG GLU 93 2HG GLU 93 1.057 -6.005 -38.679 704 2HG GLU 93 1HG GLU 93 2.674 -5.302 -38.745 705 H ILE 94 HN ILE 94 2.144 -6.259 -33.785 706 HA ILE 94 HA ILE 94 3.114 -8.991 -33.162 707 HB ILE 94 HB ILE 94 2.485 -6.563 -31.450 708 1HG1 ILE 94 2HG1 ILE 94 4.312 -6.144 -33.028 709 2HG1 ILE 94 1HG1 ILE 94 4.968 -6.327 -31.402 710 1HG2 ILE 94 1HG2 ILE 94 3.561 -9.301 -30.869 711 2HG2 ILE 94 2HG2 ILE 94 2.468 -8.302 -29.909 712 3HG2 ILE 94 3HG2 ILE 94 4.192 -7.932 -29.951 713 1HD1 ILE 94 1HD1 ILE 94 4.884 -8.931 -32.450 714 2HD1 ILE 94 2HD1 ILE 94 6.320 -7.934 -32.216 715 3HD1 ILE 94 3HD1 ILE 94 5.483 -7.924 -33.769 716 H GLY 95 HN GLY 95 0.358 -6.886 -32.238 717 1HA GLY 95 2HA GLY 95 -1.922 -7.600 -32.046 718 2HA GLY 95 1HA GLY 95 -1.378 -9.276 -32.129 719 H GLY 96 HN GLY 96 0.577 -9.249 -30.102 720 1HA GLY 96 2HA GLY 96 0.411 -8.218 -27.681 721 2HA GLY 96 1HA GLY 96 -1.176 -8.989 -27.714 722 H HIS 97 HN HIS 97 2.300 -9.675 -28.003 723 HA HIS 97 HA HIS 97 2.216 -11.937 -26.271 724 1HB HIS 97 2HB HIS 97 0.863 -12.977 -27.977 725 2HB HIS 97 1HB HIS 97 1.976 -12.466 -29.246 726 HD1 HIS 97 HD1 HIS 97 2.063 -14.618 -26.092 727 HD2 HIS 97 HD2 HIS 97 3.876 -14.381 -29.837 728 HE1 HIS 97 HE1 HIS 97 3.588 -16.631 -26.277 729 1H MET 1 1HT MET 1 0.412 -0.739 -29.710 730 2H MET 1 2HT MET 1 -0.757 -0.172 -30.805 731 3H MET 1 3HT MET 1 -1.223 -1.115 -29.471 732 HA MET 1 HA MET 1 0.239 1.236 -28.688 733 1HB MET 1 2HB MET 1 -2.304 1.387 -30.331 734 2HB MET 1 1HB MET 1 -1.742 2.711 -29.310 735 1HG MET 1 2HG MET 1 0.438 2.665 -30.554 736 2HG MET 1 1HG MET 1 -0.263 1.471 -31.647 737 1HE MET 1 1HE MET 1 -3.202 3.263 -33.296 738 2HE MET 1 2HE MET 1 -3.350 2.502 -31.714 739 3HE MET 1 3HE MET 1 -2.349 1.751 -32.954 740 H PHE 2 HN PHE 2 -0.958 2.194 -26.813 741 HA PHE 2 HA PHE 2 -3.399 1.085 -25.828 742 1HB PHE 2 2HB PHE 2 -2.543 -0.399 -24.133 743 2HB PHE 2 1HB PHE 2 -1.776 -0.872 -25.643 744 HD1 PHE 2 HD1 PHE 2 0.552 -1.122 -25.688 745 HD2 PHE 2 HD2 PHE 2 -1.222 1.425 -22.711 746 HE1 PHE 2 HE1 PHE 2 2.776 -0.764 -24.651 747 HE2 PHE 2 HE2 PHE 2 1.007 1.788 -21.694 748 HZ PHE 2 HZ PHE 2 3.008 0.695 -22.664 749 H THR 3 HN THR 3 -3.943 2.115 -23.766 750 HA THR 3 HA THR 3 -1.900 3.865 -22.565 751 HB THR 3 HB THR 3 -3.194 5.876 -22.950 752 HG1 THR 3 HG1 THR 3 -5.203 5.806 -23.830 753 1HG2 THR 3 1HG2 THR 3 -3.195 4.280 -25.530 754 2HG2 THR 3 2HG2 THR 3 -1.755 5.011 -24.827 755 3HG2 THR 3 3HG2 THR 3 -3.087 6.035 -25.365 756 H GLY 4 HN GLY 4 -5.265 2.720 -22.631 757 1HA GLY 4 2HA GLY 4 -6.813 2.437 -20.895 758 2HA GLY 4 1HA GLY 4 -5.424 1.889 -19.951 759 H ILE 5 HN ILE 5 -5.374 5.072 -21.334 760 HA ILE 5 HA ILE 5 -5.074 6.241 -18.669 761 HB ILE 5 HB ILE 5 -5.253 7.430 -21.459 762 1HG1 ILE 5 2HG1 ILE 5 -2.854 6.764 -19.722 763 2HG1 ILE 5 1HG1 ILE 5 -3.400 5.799 -21.093 764 1HG2 ILE 5 1HG2 ILE 5 -5.443 8.768 -19.043 765 2HG2 ILE 5 2HG2 ILE 5 -4.888 9.477 -20.560 766 3HG2 ILE 5 3HG2 ILE 5 -3.717 8.848 -19.400 767 1HD1 ILE 5 1HD1 ILE 5 -1.949 7.103 -22.274 768 2HD1 ILE 5 2HD1 ILE 5 -1.958 8.381 -21.059 769 3HD1 ILE 5 3HD1 ILE 5 -3.269 8.273 -22.235 770 H VAL 6 HN VAL 6 -6.721 6.987 -17.442 771 HA VAL 6 HA VAL 6 -9.435 6.774 -18.456 772 HB VAL 6 HB VAL 6 -7.983 7.090 -15.880 773 1HG1 VAL 6 1HG1 VAL 6 -10.883 7.903 -16.233 774 2HG1 VAL 6 2HG1 VAL 6 -9.576 8.890 -15.580 775 3HG1 VAL 6 3HG1 VAL 6 -10.161 7.494 -14.678 776 1HG2 VAL 6 1HG2 VAL 6 -9.599 5.179 -17.292 777 2HG2 VAL 6 2HG2 VAL 6 -10.326 5.502 -15.719 778 3HG2 VAL 6 3HG2 VAL 6 -8.655 4.944 -15.821 779 H GLN 7 HN GLN 7 -10.876 8.383 -18.881 780 HA GLN 7 HA GLN 7 -9.957 11.065 -19.430 781 1HB GLN 7 2HB GLN 7 -12.654 9.696 -19.284 782 2HB GLN 7 1HB GLN 7 -12.454 11.366 -19.820 783 1HG GLN 7 2HG GLN 7 -10.919 10.617 -21.600 784 2HG GLN 7 1HG GLN 7 -11.115 8.946 -21.067 785 1HE2 GLN 7 1HE2 GLN 7 -11.985 10.465 -23.643 786 2HE2 GLN 7 2HE2 GLN 7 -13.624 10.049 -23.807 787 H GLY 8 HN GLY 8 -11.745 9.577 -16.718 788 1HA GLY 8 2HA GLY 8 -11.401 12.087 -15.166 789 2HA GLY 8 1HA GLY 8 -13.055 11.603 -15.538 790 H THR 9 HN THR 9 -12.540 11.749 -12.913 791 HA THR 9 HA THR 9 -11.902 8.944 -12.070 792 HB THR 9 HB THR 9 -11.325 10.220 -9.884 793 HG1 THR 9 HG1 THR 9 -11.563 12.285 -9.980 794 1HG2 THR 9 1HG2 THR 9 -9.871 9.570 -12.202 795 2HG2 THR 9 2HG2 THR 9 -9.217 9.891 -10.596 796 3HG2 THR 9 3HG2 THR 9 -9.358 11.200 -11.768 797 H ALA 10 HN ALA 10 -12.926 8.393 -9.908 798 HA ALA 10 HA ALA 10 -15.664 9.569 -9.572 799 1HB ALA 10 1HB ALA 10 -16.498 7.700 -10.544 800 2HB ALA 10 2HB ALA 10 -15.793 6.756 -9.232 801 3HB ALA 10 3HB ALA 10 -14.875 7.025 -10.717 802 H LYS 11 HN LYS 11 -16.452 9.326 -7.406 803 HA LYS 11 HA LYS 11 -14.328 8.554 -5.434 804 1HB LYS 11 2HB LYS 11 -15.117 10.882 -5.418 805 2HB LYS 11 1HB LYS 11 -16.774 10.322 -5.228 806 1HG LYS 11 2HG LYS 11 -16.232 9.295 -3.083 807 2HG LYS 11 1HG LYS 11 -14.538 9.745 -3.270 808 1HD LYS 11 2HD LYS 11 -14.918 11.862 -2.577 809 2HD LYS 11 1HD LYS 11 -16.355 12.018 -3.591 810 1HE LYS 11 2HE LYS 11 -17.607 10.612 -1.896 811 2HE LYS 11 1HE LYS 11 -16.183 10.742 -0.842 812 1HZ LYS 11 1HZ LYS 11 -17.654 12.551 -0.341 813 2HZ LYS 11 2HZ LYS 11 -17.766 12.986 -1.979 814 3HZ LYS 11 3HZ LYS 11 -16.298 13.180 -1.144 815 H LEU 12 HN LEU 12 -14.695 6.562 -4.531 816 HA LEU 12 HA LEU 12 -17.195 5.138 -4.536 817 1HB LEU 12 2HB LEU 12 -14.695 4.444 -4.040 818 2HB LEU 12 1HB LEU 12 -15.089 4.904 -2.401 819 HG LEU 12 HG LEU 12 -16.897 3.296 -2.315 820 1HD1 LEU 12 1HD1 LEU 12 -17.945 3.165 -4.362 821 2HD1 LEU 12 2HD1 LEU 12 -16.912 1.744 -4.513 822 3HD1 LEU 12 3HD1 LEU 12 -16.431 3.268 -5.259 823 1HD2 LEU 12 1HD2 LEU 12 -14.153 2.584 -2.863 824 2HD2 LEU 12 2HD2 LEU 12 -15.223 1.335 -3.500 825 3HD2 LEU 12 3HD2 LEU 12 -15.306 1.782 -1.795 826 H VAL 13 HN VAL 13 -18.958 5.513 -3.285 827 HA VAL 13 HA VAL 13 -18.599 7.179 -0.824 828 HB VAL 13 HB VAL 13 -19.554 8.578 -2.450 829 1HG1 VAL 13 1HG1 VAL 13 -20.260 7.580 -4.335 830 2HG1 VAL 13 2HG1 VAL 13 -21.818 7.434 -3.515 831 3HG1 VAL 13 3HG1 VAL 13 -20.678 6.090 -3.482 832 1HG2 VAL 13 1HG2 VAL 13 -21.793 9.011 -1.656 833 2HG2 VAL 13 2HG2 VAL 13 -20.840 8.438 -0.286 834 3HG2 VAL 13 3HG2 VAL 13 -21.961 7.345 -1.100 835 H SER 14 HN SER 14 -20.265 4.543 -2.416 836 HA SER 14 HA SER 14 -21.177 3.582 0.258 837 1HB SER 14 2HB SER 14 -22.763 5.039 -1.485 838 2HB SER 14 1HB SER 14 -23.223 3.374 -1.820 839 HG SER 14 HG SER 14 -23.549 3.111 0.434 840 H ILE 15 HN ILE 15 -21.220 1.345 0.395 841 HA ILE 15 HA ILE 15 -20.766 -0.200 -2.143 842 HB ILE 15 HB ILE 15 -20.236 -1.088 0.705 843 1HG1 ILE 15 2HG1 ILE 15 -18.399 0.247 -1.298 844 2HG1 ILE 15 1HG1 ILE 15 -18.886 0.866 0.273 845 1HG2 ILE 15 1HG2 ILE 15 -20.289 -2.988 -0.683 846 2HG2 ILE 15 2HG2 ILE 15 -18.577 -2.559 -0.692 847 3HG2 ILE 15 3HG2 ILE 15 -19.603 -2.120 -2.057 848 1HD1 ILE 15 1HD1 ILE 15 -16.736 -0.064 0.653 849 2HD1 ILE 15 2HD1 ILE 15 -17.096 -1.485 -0.324 850 3HD1 ILE 15 3HD1 ILE 15 -17.861 -1.283 1.252 851 H ASP 16 HN ASP 16 -22.343 -1.612 -2.717 852 HA ASP 16 HA ASP 16 -24.504 -2.236 -0.732 853 1HB ASP 16 2HB ASP 16 -24.370 -1.960 -3.726 854 2HB ASP 16 1HB ASP 16 -25.672 -2.885 -2.977 855 H GLU 17 HN GLU 17 -24.153 -4.258 0.145 856 HA GLU 17 HA GLU 17 -22.655 -6.246 -1.506 857 1HB GLU 17 2HB GLU 17 -23.162 -5.889 1.461 858 2HB GLU 17 1HB GLU 17 -22.293 -7.268 0.786 859 1HG GLU 17 2HG GLU 17 -20.652 -5.737 -0.240 860 2HG GLU 17 1HG GLU 17 -21.516 -4.357 0.437 861 H LYS 18 HN LYS 18 -23.964 -7.719 -2.504 862 HA LYS 18 HA LYS 18 -26.382 -8.713 -1.024 863 1HB LYS 18 2HB LYS 18 -25.968 -9.025 -3.988 864 2HB LYS 18 1HB LYS 18 -27.476 -8.875 -3.091 865 1HG LYS 18 2HG LYS 18 -26.518 -6.466 -2.527 866 2HG LYS 18 1HG LYS 18 -25.590 -6.735 -4.004 867 1HD LYS 18 2HD LYS 18 -28.602 -7.000 -3.787 868 2HD LYS 18 1HD LYS 18 -27.760 -5.597 -4.446 869 1HE LYS 18 2HE LYS 18 -27.663 -6.633 -6.457 870 2HE LYS 18 1HE LYS 18 -26.700 -7.930 -5.725 871 1HZ LYS 18 1HZ LYS 18 -29.015 -8.602 -4.750 872 2HZ LYS 18 2HZ LYS 18 -28.566 -9.091 -6.314 873 3HZ LYS 18 3HZ LYS 18 -29.606 -7.764 -6.101 874 HA PRO 19 HA PRO 19 -24.077 -12.479 -0.620 875 1HB PRO 19 2HB PRO 19 -26.386 -14.107 -0.547 876 2HB PRO 19 1HB PRO 19 -25.553 -13.406 0.852 877 1HG PRO 19 2HG PRO 19 -27.984 -12.476 -0.562 878 2HG PRO 19 1HG PRO 19 -27.544 -12.335 1.147 879 1HD PRO 19 2HD PRO 19 -27.442 -10.231 -0.524 880 2HD PRO 19 1HD PRO 19 -26.273 -10.435 0.803 881 H ASN 20 HN ASN 20 -26.416 -11.748 -3.076 882 HA ASN 20 HA ASN 20 -25.792 -14.103 -4.749 883 1HB ASN 20 2HB ASN 20 -27.086 -11.602 -5.788 884 2HB ASN 20 1HB ASN 20 -27.499 -13.282 -6.115 885 1HD2 ASN 20 1HD2 ASN 20 -27.523 -13.963 -3.179 886 2HD2 ASN 20 2HD2 ASN 20 -28.938 -13.264 -2.566 887 H PHE 21 HN PHE 21 -25.138 -10.628 -4.667 888 HA PHE 21 HA PHE 21 -22.618 -11.006 -6.182 889 1HB PHE 21 2HB PHE 21 -24.950 -9.339 -7.186 890 2HB PHE 21 1HB PHE 21 -23.374 -9.472 -7.965 891 HD1 PHE 21 HD1 PHE 21 -26.625 -11.001 -7.500 892 HD2 PHE 21 HD2 PHE 21 -22.594 -11.735 -8.803 893 HE1 PHE 21 HE1 PHE 21 -27.379 -13.054 -8.672 894 HE2 PHE 21 HE2 PHE 21 -23.349 -13.788 -9.977 895 HZ PHE 21 HZ PHE 21 -25.741 -14.447 -9.911 896 H ARG 22 HN ARG 22 -21.214 -9.165 -5.944 897 HA ARG 22 HA ARG 22 -21.962 -7.339 -3.740 898 1HB ARG 22 2HB ARG 22 -19.767 -8.522 -3.840 899 2HB ARG 22 1HB ARG 22 -19.394 -7.633 -5.314 900 1HG ARG 22 2HG ARG 22 -19.568 -5.507 -4.114 901 2HG ARG 22 1HG ARG 22 -20.011 -6.362 -2.636 902 1HD ARG 22 2HD ARG 22 -17.824 -7.510 -2.628 903 2HD ARG 22 1HD ARG 22 -17.369 -6.655 -4.116 904 HE ARG 22 HE ARG 22 -18.121 -4.586 -2.506 905 1HH1 ARG 22 1HH1 ARG 22 -16.075 -7.332 -2.027 906 2HH1 ARG 22 2HH1 ARG 22 -15.072 -6.539 -0.862 907 1HH2 ARG 22 1HH2 ARG 22 -16.817 -3.548 -0.990 908 2HH2 ARG 22 2HH2 ARG 22 -15.490 -4.402 -0.274 909 H THR 23 HN THR 23 -22.185 -5.137 -3.992 910 HA THR 23 HA THR 23 -22.195 -4.081 -6.803 911 HB THR 23 HB THR 23 -24.122 -3.620 -4.499 912 HG1 THR 23 HG1 THR 23 -24.232 -5.141 -6.881 913 1HG2 THR 23 1HG2 THR 23 -24.570 -1.711 -5.629 914 2HG2 THR 23 2HG2 THR 23 -25.325 -2.757 -6.831 915 3HG2 THR 23 3HG2 THR 23 -23.654 -2.233 -7.043 916 H HIS 24 HN HIS 24 -21.139 -2.094 -7.024 917 HA HIS 24 HA HIS 24 -20.455 -0.656 -4.481 918 1HB HIS 24 2HB HIS 24 -18.836 -1.850 -6.581 919 2HB HIS 24 1HB HIS 24 -18.445 -0.147 -6.329 920 HD1 HIS 24 HD1 HIS 24 -17.157 -3.139 -5.207 921 HD2 HIS 24 HD2 HIS 24 -18.727 0.108 -3.121 922 HE1 HIS 24 HE1 HIS 24 -16.295 -3.320 -2.828 923 H VAL 25 HN VAL 25 -20.650 1.585 -4.529 924 HA VAL 25 HA VAL 25 -21.544 2.783 -7.128 925 HB VAL 25 HB VAL 25 -22.366 3.624 -4.352 926 1HG1 VAL 25 1HG1 VAL 25 -22.770 5.282 -6.076 927 2HG1 VAL 25 2HG1 VAL 25 -24.313 4.565 -5.616 928 3HG1 VAL 25 3HG1 VAL 25 -23.525 4.071 -7.112 929 1HG2 VAL 25 1HG2 VAL 25 -23.027 1.192 -5.679 930 2HG2 VAL 25 2HG2 VAL 25 -24.455 2.225 -5.729 931 3HG2 VAL 25 3HG2 VAL 25 -23.709 1.825 -4.181 932 H VAL 26 HN VAL 26 -20.455 4.562 -7.766 933 HA VAL 26 HA VAL 26 -18.549 5.833 -5.833 934 HB VAL 26 HB VAL 26 -17.215 6.280 -7.904 935 1HG1 VAL 26 1HG1 VAL 26 -16.455 4.329 -6.888 936 2HG1 VAL 26 2HG1 VAL 26 -16.936 3.704 -8.466 937 3HG1 VAL 26 3HG1 VAL 26 -18.004 3.507 -7.077 938 1HG2 VAL 26 1HG2 VAL 26 -19.200 6.309 -9.434 939 2HG2 VAL 26 2HG2 VAL 26 -19.319 4.559 -9.252 940 3HG2 VAL 26 3HG2 VAL 26 -17.897 5.271 -10.013 941 H GLU 27 HN GLU 27 -18.030 8.176 -6.588 942 HA GLU 27 HA GLU 27 -20.584 9.582 -7.186 943 1HB GLU 27 2HB GLU 27 -18.739 9.845 -5.224 944 2HB GLU 27 1HB GLU 27 -18.062 10.935 -6.428 945 1HG GLU 27 2HG GLU 27 -19.998 12.304 -6.441 946 2HG GLU 27 1HG GLU 27 -20.964 11.083 -5.615 947 H LEU 28 HN LEU 28 -20.822 10.103 -9.302 948 HA LEU 28 HA LEU 28 -18.533 10.176 -11.122 949 1HB LEU 28 2HB LEU 28 -21.155 9.413 -11.121 950 2HB LEU 28 1HB LEU 28 -21.255 10.955 -11.951 951 HG LEU 28 HG LEU 28 -20.927 9.166 -13.578 952 1HD1 LEU 28 1HD1 LEU 28 -18.221 10.440 -13.314 953 2HD1 LEU 28 2HD1 LEU 28 -19.634 11.413 -13.720 954 3HD1 LEU 28 3HD1 LEU 28 -19.140 10.084 -14.771 955 1HD2 LEU 28 1HD2 LEU 28 -19.794 7.336 -12.919 956 2HD2 LEU 28 2HD2 LEU 28 -19.159 8.185 -11.510 957 3HD2 LEU 28 3HD2 LEU 28 -18.305 8.269 -13.050 958 HA PRO 29 HA PRO 29 -18.149 14.570 -10.203 959 1HB PRO 29 2HB PRO 29 -16.126 15.002 -12.023 960 2HB PRO 29 1HB PRO 29 -15.879 14.426 -10.367 961 1HG PRO 29 2HG PRO 29 -15.926 12.898 -12.913 962 2HG PRO 29 1HG PRO 29 -14.929 12.661 -11.469 963 1HD PRO 29 2HD PRO 29 -17.057 11.106 -12.050 964 2HD PRO 29 1HD PRO 29 -16.554 11.456 -10.384 965 H ASP 30 HN ASP 30 -18.037 16.576 -11.687 966 HA ASP 30 HA ASP 30 -20.383 16.608 -13.260 967 1HB ASP 30 2HB ASP 30 -19.421 18.888 -13.930 968 2HB ASP 30 1HB ASP 30 -19.574 18.586 -12.200 969 H HIS 31 HN HIS 31 -16.978 16.260 -14.274 970 HA HIS 31 HA HIS 31 -17.778 16.539 -17.091 971 1HB HIS 31 2HB HIS 31 -15.369 16.511 -17.487 972 2HB HIS 31 1HB HIS 31 -15.726 17.568 -16.126 973 HD1 HIS 31 HD1 HIS 31 -16.179 14.588 -14.480 974 HD2 HIS 31 HD2 HIS 31 -12.759 16.327 -16.098 975 HE1 HIS 31 HE1 HIS 31 -14.209 13.524 -13.300 976 H MET 32 HN MET 32 -17.877 14.018 -14.989 977 HA MET 32 HA MET 32 -17.606 12.075 -17.254 978 1HB MET 32 2HB MET 32 -17.246 11.754 -14.262 979 2HB MET 32 1HB MET 32 -17.389 10.382 -15.359 980 1HG MET 32 2HG MET 32 -15.304 12.571 -15.590 981 2HG MET 32 1HG MET 32 -15.017 10.970 -14.905 982 1HE MET 32 1HE MET 32 -14.887 8.771 -16.207 983 2HE MET 32 2HE MET 32 -15.620 8.549 -17.794 984 3HE MET 32 3HE MET 32 -16.620 9.047 -16.432 985 H LEU 33 HN LEU 33 -19.680 13.656 -15.008 986 HA LEU 33 HA LEU 33 -21.797 11.726 -14.767 987 1HB LEU 33 2HB LEU 33 -21.442 14.697 -14.524 988 2HB LEU 33 1HB LEU 33 -23.078 14.038 -14.513 989 HG LEU 33 HG LEU 33 -20.941 12.875 -12.723 990 1HD1 LEU 33 1HD1 LEU 33 -22.118 15.531 -12.580 991 2HD1 LEU 33 2HD1 LEU 33 -20.863 14.814 -11.570 992 3HD1 LEU 33 3HD1 LEU 33 -22.563 14.563 -11.176 993 1HD2 LEU 33 1HD2 LEU 33 -23.260 11.825 -13.225 994 2HD2 LEU 33 2HD2 LEU 33 -23.911 13.142 -12.249 995 3HD2 LEU 33 3HD2 LEU 33 -22.783 11.989 -11.534 996 H ASP 34 HN ASP 34 -21.092 14.270 -17.155 997 HA ASP 34 HA ASP 34 -23.527 14.089 -18.632 998 1HB ASP 34 2HB ASP 34 -21.873 15.918 -18.753 999 2HB ASP 34 1HB ASP 34 -20.705 14.817 -19.485 1000 H GLY 35 HN GLY 35 -24.227 12.565 -20.083 1001 1HA GLY 35 2HA GLY 35 -23.986 11.046 -21.903 1002 2HA GLY 35 1HA GLY 35 -22.254 10.978 -21.586 1003 H LEU 36 HN LEU 36 -22.403 10.298 -18.794 1004 HA LEU 36 HA LEU 36 -22.492 7.472 -19.013 1005 1HB LEU 36 2HB LEU 36 -21.206 8.723 -17.336 1006 2HB LEU 36 1HB LEU 36 -22.706 9.273 -16.585 1007 HG LEU 36 HG LEU 36 -23.330 6.940 -16.096 1008 1HD1 LEU 36 1HD1 LEU 36 -20.637 6.319 -17.351 1009 2HD1 LEU 36 2HD1 LEU 36 -22.218 5.831 -17.964 1010 3HD1 LEU 36 3HD1 LEU 36 -21.613 5.156 -16.451 1011 1HD2 LEU 36 1HD2 LEU 36 -21.158 6.457 -14.634 1012 2HD2 LEU 36 2HD2 LEU 36 -22.232 7.800 -14.243 1013 3HD2 LEU 36 3HD2 LEU 36 -20.740 8.094 -15.135 1014 H GLU 37 HN GLU 37 -24.025 5.949 -18.426 1015 HA GLU 37 HA GLU 37 -26.642 6.801 -17.324 1016 1HB GLU 37 2HB GLU 37 -27.802 5.807 -19.281 1017 2HB GLU 37 1HB GLU 37 -26.746 7.128 -19.781 1018 1HG GLU 37 2HG GLU 37 -24.974 5.476 -20.338 1019 2HG GLU 37 1HG GLU 37 -26.081 4.172 -19.905 1020 H THR 38 HN THR 38 -27.980 4.796 -16.815 1021 HA THR 38 HA THR 38 -26.375 2.725 -15.608 1022 HB THR 38 HB THR 38 -28.936 1.741 -15.871 1023 HG1 THR 38 HG1 THR 38 -30.198 3.314 -16.386 1024 1HG2 THR 38 1HG2 THR 38 -29.225 3.159 -13.644 1025 2HG2 THR 38 2HG2 THR 38 -27.500 3.424 -13.878 1026 3HG2 THR 38 3HG2 THR 38 -28.124 1.783 -13.718 1027 H GLY 39 HN GLY 39 -26.127 0.526 -16.317 1028 1HA GLY 39 2HA GLY 39 -25.972 -1.223 -17.899 1029 2HA GLY 39 1HA GLY 39 -27.065 -0.331 -18.952 1030 H ALA 40 HN ALA 40 -24.775 1.853 -18.011 1031 HA ALA 40 HA ALA 40 -23.336 1.771 -20.554 1032 1HB ALA 40 1HB ALA 40 -23.166 3.339 -17.966 1033 2HB ALA 40 2HB ALA 40 -23.824 3.885 -19.511 1034 3HB ALA 40 3HB ALA 40 -22.086 3.644 -19.328 1035 H SER 41 HN SER 41 -20.951 1.455 -20.633 1036 HA SER 41 HA SER 41 -20.027 -0.480 -18.555 1037 1HB SER 41 2HB SER 41 -18.138 -0.572 -20.455 1038 2HB SER 41 1HB SER 41 -19.642 -1.471 -20.601 1039 HG SER 41 HG SER 41 -20.391 -0.017 -22.014 1040 H VAL 42 HN VAL 42 -19.019 0.582 -16.913 1041 HA VAL 42 HA VAL 42 -17.256 2.911 -17.542 1042 HB VAL 42 HB VAL 42 -18.836 1.915 -15.216 1043 1HG1 VAL 42 1HG1 VAL 42 -17.304 3.609 -13.850 1044 2HG1 VAL 42 2HG1 VAL 42 -16.079 2.997 -14.961 1045 3HG1 VAL 42 3HG1 VAL 42 -16.957 1.881 -13.915 1046 1HG2 VAL 42 1HG2 VAL 42 -19.455 3.890 -16.607 1047 2HG2 VAL 42 2HG2 VAL 42 -17.960 4.669 -16.081 1048 3HG2 VAL 42 3HG2 VAL 42 -19.217 4.294 -14.906 1049 H ALA 43 HN ALA 43 -15.092 2.501 -17.662 1050 HA ALA 43 HA ALA 43 -14.031 -0.049 -16.551 1051 1HB ALA 43 1HB ALA 43 -11.920 0.945 -17.704 1052 2HB ALA 43 2HB ALA 43 -13.036 2.122 -18.400 1053 3HB ALA 43 3HB ALA 43 -13.242 0.403 -18.738 1054 H HIS 44 HN HIS 44 -13.324 0.044 -14.468 1055 HA HIS 44 HA HIS 44 -12.677 2.647 -13.214 1056 1HB HIS 44 2HB HIS 44 -13.125 -0.206 -12.377 1057 2HB HIS 44 1HB HIS 44 -12.253 0.866 -11.284 1058 HD1 HIS 44 HD1 HIS 44 -15.147 2.029 -13.481 1059 HD2 HIS 44 HD2 HIS 44 -14.338 1.223 -9.457 1060 HE1 HIS 44 HE1 HIS 44 -17.145 2.849 -12.154 1061 HE2 HIS 44 HE2 HIS 44 -16.664 2.355 -9.721 1062 H ASN 45 HN ASN 45 -10.707 3.315 -13.943 1063 HA ASN 45 HA ASN 45 -8.408 3.358 -14.387 1064 1HB ASN 45 2HB ASN 45 -8.647 2.263 -11.963 1065 2HB ASN 45 1HB ASN 45 -8.013 0.851 -12.815 1066 1HD2 ASN 45 1HD2 ASN 45 -7.169 3.927 -11.471 1067 2HD2 ASN 45 2HD2 ASN 45 -5.567 3.975 -12.014 1068 H GLY 46 HN GLY 46 -10.485 1.230 -15.655 1069 1HA GLY 46 2HA GLY 46 -9.757 0.542 -17.951 1070 2HA GLY 46 1HA GLY 46 -8.328 -0.153 -17.190 1071 H CYS 47 HN CYS 47 -10.848 -0.784 -15.093 1072 HA CYS 47 HA CYS 47 -11.237 -3.500 -16.284 1073 1HB CYS 47 2HB CYS 47 -10.425 -3.110 -13.889 1074 2HB CYS 47 1HB CYS 47 -12.032 -2.472 -13.545 1075 HG CYS 47 HG CYS 47 -11.345 -5.400 -13.764 1076 H CYS 48 HN CYS 48 -12.957 -3.341 -17.722 1077 HA CYS 48 HA CYS 48 -15.030 -1.374 -17.435 1078 1HB CYS 48 2HB CYS 48 -15.991 -2.645 -19.387 1079 2HB CYS 48 1HB CYS 48 -14.294 -2.205 -19.590 1080 HG CYS 48 HG CYS 48 -13.849 -4.766 -18.615 1081 H LEU 49 HN LEU 49 -16.900 -1.483 -16.319 1082 HA LEU 49 HA LEU 49 -18.196 -4.116 -15.903 1083 1HB LEU 49 2HB LEU 49 -18.607 -3.331 -13.473 1084 2HB LEU 49 1HB LEU 49 -16.982 -3.892 -13.866 1085 HG LEU 49 HG LEU 49 -17.372 -1.036 -14.406 1086 1HD1 LEU 49 1HD1 LEU 49 -17.039 -0.871 -11.691 1087 2HD1 LEU 49 2HD1 LEU 49 -18.198 -2.196 -11.821 1088 3HD1 LEU 49 3HD1 LEU 49 -18.576 -0.623 -12.520 1089 1HD2 LEU 49 1HD2 LEU 49 -15.262 -2.730 -14.022 1090 2HD2 LEU 49 2HD2 LEU 49 -15.393 -2.004 -12.421 1091 3HD2 LEU 49 3HD2 LEU 49 -15.151 -0.980 -13.838 1092 H THR 50 HN THR 50 -20.531 -3.811 -15.344 1093 HA THR 50 HA THR 50 -21.503 -1.454 -16.846 1094 HB THR 50 HB THR 50 -23.052 -3.882 -15.918 1095 HG1 THR 50 HG1 THR 50 -21.065 -3.595 -17.840 1096 1HG2 THR 50 1HG2 THR 50 -23.420 -2.587 -18.571 1097 2HG2 THR 50 2HG2 THR 50 -23.944 -1.659 -17.166 1098 3HG2 THR 50 3HG2 THR 50 -24.624 -3.257 -17.470 1099 H VAL 51 HN VAL 51 -23.143 -0.077 -16.107 1100 HA VAL 51 HA VAL 51 -23.239 0.414 -13.241 1101 HB VAL 51 HB VAL 51 -24.902 1.577 -15.502 1102 1HG1 VAL 51 1HG1 VAL 51 -24.317 3.585 -13.743 1103 2HG1 VAL 51 2HG1 VAL 51 -24.475 2.202 -12.658 1104 3HG1 VAL 51 3HG1 VAL 51 -25.808 2.644 -13.724 1105 1HG2 VAL 51 1HG2 VAL 51 -22.764 3.284 -14.905 1106 2HG2 VAL 51 2HG2 VAL 51 -22.971 2.316 -16.365 1107 3HG2 VAL 51 3HG2 VAL 51 -22.048 1.674 -15.005 1108 H THR 52 HN THR 52 -24.529 -0.824 -11.927 1109 HA THR 52 HA THR 52 -26.914 -2.235 -12.837 1110 HB THR 52 HB THR 52 -27.099 -2.792 -10.486 1111 HG1 THR 52 HG1 THR 52 -25.063 -0.997 -9.819 1112 1HG2 THR 52 1HG2 THR 52 -24.160 -2.580 -10.548 1113 2HG2 THR 52 2HG2 THR 52 -24.874 -3.309 -11.987 1114 3HG2 THR 52 3HG2 THR 52 -25.183 -4.007 -10.397 1115 H GLU 53 HN GLU 53 -26.249 0.814 -11.107 1116 HA GLU 53 HA GLU 53 -28.828 1.917 -11.986 1117 1HB GLU 53 2HB GLU 53 -29.383 0.450 -10.050 1118 2HB GLU 53 1HB GLU 53 -28.262 1.379 -9.053 1119 1HG GLU 53 2HG GLU 53 -29.580 3.423 -9.469 1120 2HG GLU 53 1HG GLU 53 -30.704 2.495 -10.462 1121 H ILE 54 HN ILE 54 -28.942 4.214 -11.556 1122 HA ILE 54 HA ILE 54 -26.321 5.444 -10.749 1123 HB ILE 54 HB ILE 54 -28.676 6.359 -12.434 1124 1HG1 ILE 54 2HG1 ILE 54 -25.885 6.428 -13.410 1125 2HG1 ILE 54 1HG1 ILE 54 -26.533 4.817 -13.109 1126 1HG2 ILE 54 1HG2 ILE 54 -26.849 8.294 -12.810 1127 2HG2 ILE 54 2HG2 ILE 54 -26.458 7.876 -11.142 1128 3HG2 ILE 54 3HG2 ILE 54 -28.087 8.406 -11.559 1129 1HD1 ILE 54 1HD1 ILE 54 -26.946 6.308 -15.410 1130 2HD1 ILE 54 2HD1 ILE 54 -28.432 6.568 -14.498 1131 3HD1 ILE 54 3HD1 ILE 54 -27.921 4.928 -14.903 1132 H ASN 55 HN ASN 55 -26.263 6.561 -8.884 1133 HA ASN 55 HA ASN 55 -28.830 7.067 -7.435 1134 1HB ASN 55 2HB ASN 55 -25.954 6.593 -6.730 1135 2HB ASN 55 1HB ASN 55 -26.958 7.498 -5.594 1136 1HD2 ASN 55 1HD2 ASN 55 -26.946 4.413 -7.456 1137 2HD2 ASN 55 2HD2 ASN 55 -27.839 3.543 -6.304 1138 H GLY 56 HN GLY 56 -28.835 8.911 -9.258 1139 1HA GLY 56 2HA GLY 56 -28.832 11.272 -9.530 1140 2HA GLY 56 1HA GLY 56 -28.023 11.419 -7.968 1141 H ASN 57 HN ASN 57 -25.960 12.172 -8.144 1142 HA ASN 57 HA ASN 57 -24.494 12.040 -10.665 1143 1HB ASN 57 2HB ASN 57 -23.259 13.645 -9.634 1144 2HB ASN 57 1HB ASN 57 -24.454 13.563 -8.361 1145 1HD2 ASN 57 1HD2 ASN 57 -21.541 11.797 -9.390 1146 2HD2 ASN 57 2HD2 ASN 57 -20.925 11.544 -7.831 1147 H HIS 58 HN HIS 58 -24.897 10.048 -7.852 1148 HA HIS 58 HA HIS 58 -22.394 8.608 -7.996 1149 1HB HIS 58 2HB HIS 58 -25.086 8.244 -6.710 1150 2HB HIS 58 1HB HIS 58 -23.887 6.958 -6.617 1151 HD1 HIS 58 HD1 HIS 58 -24.997 9.507 -4.555 1152 HD2 HIS 58 HD2 HIS 58 -21.174 8.484 -5.872 1153 HE1 HIS 58 HE1 HIS 58 -23.368 10.518 -2.901 1154 H VAL 59 HN VAL 59 -22.188 6.333 -8.614 1155 HA VAL 59 HA VAL 59 -24.405 5.251 -10.254 1156 HB VAL 59 HB VAL 59 -21.543 5.669 -11.134 1157 1HG1 VAL 59 1HG1 VAL 59 -21.781 3.575 -12.033 1158 2HG1 VAL 59 2HG1 VAL 59 -22.731 4.444 -13.241 1159 3HG1 VAL 59 3HG1 VAL 59 -23.539 3.620 -11.907 1160 1HG2 VAL 59 1HG2 VAL 59 -23.407 6.314 -13.130 1161 2HG2 VAL 59 2HG2 VAL 59 -22.539 7.455 -12.101 1162 3HG2 VAL 59 3HG2 VAL 59 -24.143 6.883 -11.629 1163 H SER 60 HN SER 60 -24.814 3.228 -9.529 1164 HA SER 60 HA SER 60 -22.774 1.754 -7.946 1165 1HB SER 60 2HB SER 60 -25.364 2.106 -7.526 1166 2HB SER 60 1HB SER 60 -25.502 0.757 -8.647 1167 HG SER 60 HG SER 60 -24.016 -0.369 -7.264 1168 H PHE 61 HN PHE 61 -21.697 0.009 -8.813 1169 HA PHE 61 HA PHE 61 -22.722 -1.081 -11.423 1170 1HB PHE 61 2HB PHE 61 -20.184 -1.397 -11.897 1171 2HB PHE 61 1HB PHE 61 -20.856 0.225 -12.038 1172 HD1 PHE 61 HD1 PHE 61 -18.742 -2.010 -10.003 1173 HD2 PHE 61 HD2 PHE 61 -20.389 1.943 -10.378 1174 HE1 PHE 61 HE1 PHE 61 -17.151 -1.183 -8.284 1175 HE2 PHE 61 HE2 PHE 61 -18.802 2.769 -8.662 1176 HZ PHE 61 HZ PHE 61 -17.182 1.207 -7.614 1177 H ASP 62 HN ASP 62 -22.256 -3.345 -11.763 1178 HA ASP 62 HA ASP 62 -22.366 -4.804 -9.220 1179 1HB ASP 62 2HB ASP 62 -23.157 -6.609 -10.637 1180 2HB ASP 62 1HB ASP 62 -23.900 -5.113 -11.204 1181 H LEU 63 HN LEU 63 -21.064 -6.528 -8.627 1182 HA LEU 63 HA LEU 63 -18.567 -7.067 -10.137 1183 1HB LEU 63 2HB LEU 63 -18.915 -5.139 -8.024 1184 2HB LEU 63 1HB LEU 63 -17.864 -6.424 -7.457 1185 HG LEU 63 HG LEU 63 -17.131 -5.732 -10.152 1186 1HD1 LEU 63 1HD1 LEU 63 -16.380 -3.356 -8.750 1187 2HD1 LEU 63 2HD1 LEU 63 -18.133 -3.530 -8.620 1188 3HD1 LEU 63 3HD1 LEU 63 -17.362 -3.494 -10.208 1189 1HD2 LEU 63 1HD2 LEU 63 -15.074 -6.085 -9.243 1190 2HD2 LEU 63 2HD2 LEU 63 -15.910 -6.453 -7.735 1191 3HD2 LEU 63 3HD2 LEU 63 -15.322 -4.820 -8.040 1192 H MET 64 HN MET 64 -18.476 -9.314 -9.995 1193 HA MET 64 HA MET 64 -19.841 -10.823 -7.928 1194 1HB MET 64 2HB MET 64 -17.822 -11.384 -10.091 1195 2HB MET 64 1HB MET 64 -18.266 -12.648 -8.948 1196 1HG MET 64 2HG MET 64 -20.633 -12.356 -9.556 1197 2HG MET 64 1HG MET 64 -20.185 -11.092 -10.700 1198 1HE MET 64 1HE MET 64 -21.855 -12.699 -11.605 1199 2HE MET 64 2HE MET 64 -21.552 -14.333 -12.191 1200 3HE MET 64 3HE MET 64 -21.158 -12.952 -13.212 1201 H LYS 65 HN LYS 65 -18.963 -11.685 -6.014 1202 HA LYS 65 HA LYS 65 -16.808 -10.351 -4.731 1203 1HB LYS 65 2HB LYS 65 -18.628 -11.597 -3.612 1204 2HB LYS 65 1HB LYS 65 -18.000 -13.108 -4.271 1205 1HG LYS 65 2HG LYS 65 -15.875 -12.756 -3.068 1206 2HG LYS 65 1HG LYS 65 -16.504 -11.246 -2.403 1207 1HD LYS 65 2HD LYS 65 -18.328 -12.490 -1.296 1208 2HD LYS 65 1HD LYS 65 -17.694 -13.999 -1.954 1209 1HE LYS 65 2HE LYS 65 -15.532 -13.561 -0.755 1210 2HE LYS 65 1HE LYS 65 -16.293 -12.149 0.006 1211 1HZ LYS 65 1HZ LYS 65 -16.529 -14.171 1.363 1212 2HZ LYS 65 2HZ LYS 65 -17.373 -14.917 0.093 1213 3HZ LYS 65 3HZ LYS 65 -18.030 -13.556 0.869 1214 H GLU 66 HN GLU 66 -16.923 -13.521 -6.390 1215 HA GLU 66 HA GLU 66 -14.121 -14.104 -5.963 1216 1HB GLU 66 2HB GLU 66 -15.859 -15.798 -6.422 1217 2HB GLU 66 1HB GLU 66 -16.130 -15.094 -8.017 1218 1HG GLU 66 2HG GLU 66 -14.656 -17.042 -8.211 1219 2HG GLU 66 1HG GLU 66 -13.760 -15.575 -8.605 1220 H THR 67 HN THR 67 -15.955 -12.611 -8.651 1221 HA THR 67 HA THR 67 -13.694 -12.222 -10.410 1222 HB THR 67 HB THR 67 -16.198 -10.565 -9.966 1223 HG1 THR 67 HG1 THR 67 -16.614 -11.921 -12.021 1224 1HG2 THR 67 1HG2 THR 67 -15.080 -9.192 -11.394 1225 2HG2 THR 67 2HG2 THR 67 -15.586 -10.367 -12.607 1226 3HG2 THR 67 3HG2 THR 67 -13.971 -10.464 -11.906 1227 H LEU 68 HN LEU 68 -15.052 -10.399 -7.689 1228 HA LEU 68 HA LEU 68 -13.505 -8.032 -7.911 1229 1HB LEU 68 2HB LEU 68 -15.485 -8.412 -6.474 1230 2HB LEU 68 1HB LEU 68 -14.563 -9.562 -5.508 1231 HG LEU 68 HG LEU 68 -12.885 -7.520 -5.283 1232 1HD1 LEU 68 1HD1 LEU 68 -14.041 -5.982 -6.748 1233 2HD1 LEU 68 2HD1 LEU 68 -14.255 -5.399 -5.097 1234 3HD1 LEU 68 3HD1 LEU 68 -15.567 -6.253 -5.906 1235 1HD2 LEU 68 1HD2 LEU 68 -13.581 -7.828 -3.165 1236 2HD2 LEU 68 2HD2 LEU 68 -15.045 -8.612 -3.760 1237 3HD2 LEU 68 3HD2 LEU 68 -15.021 -6.867 -3.505 1238 H ARG 69 HN ARG 69 -12.878 -11.098 -6.196 1239 HA ARG 69 HA ARG 69 -10.228 -10.360 -5.254 1240 1HB ARG 69 2HB ARG 69 -11.803 -12.115 -4.343 1241 2HB ARG 69 1HB ARG 69 -11.439 -13.090 -5.766 1242 1HG ARG 69 2HG ARG 69 -9.078 -13.152 -5.177 1243 2HG ARG 69 1HG ARG 69 -9.359 -12.066 -3.814 1244 1HD ARG 69 2HD ARG 69 -10.839 -13.747 -2.769 1245 2HD ARG 69 1HD ARG 69 -10.549 -14.844 -4.132 1246 HE ARG 69 HE ARG 69 -8.413 -15.296 -3.231 1247 1HH1 ARG 69 1HH1 ARG 69 -9.723 -12.346 -1.990 1248 2HH1 ARG 69 2HH1 ARG 69 -8.419 -12.085 -0.884 1249 1HH2 ARG 69 1HH2 ARG 69 -6.709 -14.959 -1.792 1250 2HH2 ARG 69 2HH2 ARG 69 -6.715 -13.559 -0.772 1251 H ILE 70 HN ILE 70 -11.480 -12.123 -8.095 1252 HA ILE 70 HA ILE 70 -8.984 -13.033 -9.113 1253 HB ILE 70 HB ILE 70 -11.667 -13.232 -9.667 1254 1HG1 ILE 70 2HG1 ILE 70 -9.415 -14.053 -11.514 1255 2HG1 ILE 70 1HG1 ILE 70 -9.872 -14.915 -10.044 1256 1HG2 ILE 70 1HG2 ILE 70 -11.793 -12.672 -12.155 1257 2HG2 ILE 70 2HG2 ILE 70 -10.382 -11.649 -11.893 1258 3HG2 ILE 70 3HG2 ILE 70 -11.888 -11.307 -11.046 1259 1HD1 ILE 70 1HD1 ILE 70 -10.984 -15.234 -12.624 1260 2HD1 ILE 70 2HD1 ILE 70 -12.217 -14.425 -11.655 1261 3HD1 ILE 70 3HD1 ILE 70 -11.546 -15.966 -11.121 1262 H THR 71 HN THR 71 -10.824 -10.072 -9.649 1263 HA THR 71 HA THR 71 -8.685 -8.899 -11.320 1264 HB THR 71 HB THR 71 -10.293 -7.101 -11.590 1265 HG1 THR 71 HG1 THR 71 -12.355 -7.632 -10.257 1266 1HG2 THR 71 1HG2 THR 71 -11.972 -8.270 -12.688 1267 2HG2 THR 71 2HG2 THR 71 -12.080 -9.499 -11.429 1268 3HG2 THR 71 3HG2 THR 71 -10.724 -9.509 -12.554 1269 H ASN 72 HN ASN 72 -8.393 -6.402 -10.546 1270 HA ASN 72 HA ASN 72 -7.611 -6.484 -7.671 1271 1HB ASN 72 2HB ASN 72 -5.755 -5.887 -8.950 1272 2HB ASN 72 1HB ASN 72 -6.728 -5.087 -10.173 1273 1HD2 ASN 72 1HD2 ASN 72 -5.725 -3.027 -10.138 1274 2HD2 ASN 72 2HD2 ASN 72 -5.691 -2.029 -8.762 1275 H LEU 73 HN LEU 73 -10.388 -6.134 -8.930 1276 HA LEU 73 HA LEU 73 -11.185 -3.371 -8.453 1277 1HB LEU 73 2HB LEU 73 -12.618 -6.041 -8.603 1278 2HB LEU 73 1HB LEU 73 -13.464 -4.504 -8.433 1279 HG LEU 73 HG LEU 73 -11.609 -5.274 -10.713 1280 1HD1 LEU 73 1HD1 LEU 73 -13.814 -6.366 -10.803 1281 2HD1 LEU 73 2HD1 LEU 73 -13.683 -5.135 -12.057 1282 3HD1 LEU 73 3HD1 LEU 73 -14.605 -4.803 -10.592 1283 1HD2 LEU 73 1HD2 LEU 73 -12.542 -2.703 -9.703 1284 2HD2 LEU 73 2HD2 LEU 73 -13.079 -2.977 -11.360 1285 3HD2 LEU 73 3HD2 LEU 73 -11.361 -3.040 -10.968 1286 H GLY 74 HN GLY 74 -11.158 -6.373 -6.517 1287 1HA GLY 74 2HA GLY 74 -12.588 -5.599 -4.284 1288 2HA GLY 74 1HA GLY 74 -11.180 -6.649 -4.191 1289 H ASP 75 HN ASP 75 -9.532 -4.345 -5.352 1290 HA ASP 75 HA ASP 75 -8.477 -3.418 -2.870 1291 1HB ASP 75 2HB ASP 75 -7.043 -2.095 -4.303 1292 2HB ASP 75 1HB ASP 75 -7.367 -3.616 -5.136 1293 H LEU 76 HN LEU 76 -11.141 -2.284 -4.752 1294 HA LEU 76 HA LEU 76 -11.095 0.500 -4.195 1295 1HB LEU 76 2HB LEU 76 -13.363 -1.458 -4.597 1296 2HB LEU 76 1HB LEU 76 -13.561 0.290 -4.639 1297 HG LEU 76 HG LEU 76 -11.607 -1.196 -6.411 1298 1HD1 LEU 76 1HD1 LEU 76 -14.083 -0.008 -7.543 1299 2HD1 LEU 76 2HD1 LEU 76 -14.294 -1.494 -6.615 1300 3HD1 LEU 76 3HD1 LEU 76 -13.220 -1.473 -8.013 1301 1HD2 LEU 76 1HD2 LEU 76 -11.023 0.859 -7.171 1302 2HD2 LEU 76 2HD2 LEU 76 -11.821 1.487 -5.728 1303 3HD2 LEU 76 3HD2 LEU 76 -12.703 1.390 -7.252 1304 H LYS 77 HN LYS 77 -11.903 1.715 -2.524 1305 HA LYS 77 HA LYS 77 -13.352 0.397 -0.293 1306 1HB LYS 77 2HB LYS 77 -10.764 1.969 -0.081 1307 2HB LYS 77 1HB LYS 77 -11.783 1.588 1.307 1308 1HG LYS 77 2HG LYS 77 -11.555 -0.821 0.818 1309 2HG LYS 77 1HG LYS 77 -10.533 -0.441 -0.569 1310 1HD LYS 77 2HD LYS 77 -8.900 0.647 0.927 1311 2HD LYS 77 1HD LYS 77 -9.919 0.265 2.316 1312 1HE LYS 77 2HE LYS 77 -8.572 -1.603 2.414 1313 2HE LYS 77 1HE LYS 77 -9.696 -2.207 1.180 1314 1HZ LYS 77 1HZ LYS 77 -8.091 -0.717 -0.318 1315 2HZ LYS 77 2HZ LYS 77 -7.809 -2.368 -0.032 1316 3HZ LYS 77 3HZ LYS 77 -6.983 -1.191 0.873 1317 H VAL 78 HN VAL 78 -14.845 1.866 0.674 1318 HA VAL 78 HA VAL 78 -15.665 4.090 -0.892 1319 HB VAL 78 HB VAL 78 -16.165 3.670 2.071 1320 1HG1 VAL 78 1HG1 VAL 78 -18.366 4.495 0.316 1321 2HG1 VAL 78 2HG1 VAL 78 -17.015 5.644 0.305 1322 3HG1 VAL 78 3HG1 VAL 78 -17.801 5.217 1.827 1323 1HG2 VAL 78 1HG2 VAL 78 -16.916 2.083 -0.293 1324 2HG2 VAL 78 2HG2 VAL 78 -18.264 2.528 0.754 1325 3HG2 VAL 78 3HG2 VAL 78 -16.898 1.627 1.411 1326 H GLY 79 HN GLY 79 -15.444 6.325 -0.541 1327 1HA GLY 79 2HA GLY 79 -14.475 8.296 0.395 1328 2HA GLY 79 1HA GLY 79 -13.558 7.286 1.514 1329 H ASP 80 HN ASP 80 -13.042 5.632 -1.142 1330 HA ASP 80 HA ASP 80 -10.561 7.116 -1.874 1331 1HB ASP 80 2HB ASP 80 -10.663 4.648 -1.200 1332 2HB ASP 80 1HB ASP 80 -11.503 4.362 -2.722 1333 H TRP 81 HN TRP 81 -10.077 7.155 -4.292 1334 HA TRP 81 HA TRP 81 -12.625 7.515 -5.837 1335 1HB TRP 81 2HB TRP 81 -9.976 8.974 -5.867 1336 2HB TRP 81 1HB TRP 81 -11.152 9.146 -7.166 1337 HD1 TRP 81 HD1 TRP 81 -11.510 9.108 -3.305 1338 HE1 TRP 81 HE1 TRP 81 -12.966 11.115 -2.625 1339 HE3 TRP 81 HE3 TRP 81 -12.319 11.204 -7.892 1340 HZ2 TRP 81 HZ2 TRP 81 -14.291 13.333 -3.856 1341 HZ3 TRP 81 HZ3 TRP 81 -13.679 13.266 -8.111 1342 HH2 TRP 81 HH2 TRP 81 -14.666 14.330 -6.098 1343 H VAL 82 HN VAL 82 -12.517 6.940 -8.099 1344 HA VAL 82 HA VAL 82 -10.370 4.950 -8.767 1345 HB VAL 82 HB VAL 82 -12.378 3.735 -8.487 1346 1HG1 VAL 82 1HG1 VAL 82 -13.645 6.219 -9.595 1347 2HG1 VAL 82 2HG1 VAL 82 -14.043 5.338 -8.119 1348 3HG1 VAL 82 3HG1 VAL 82 -14.515 4.687 -9.691 1349 1HG2 VAL 82 1HG2 VAL 82 -12.977 4.386 -11.316 1350 2HG2 VAL 82 2HG2 VAL 82 -12.679 2.816 -10.561 1351 3HG2 VAL 82 3HG2 VAL 82 -11.324 3.865 -10.980 1352 H ASN 83 HN ASN 83 -9.654 4.967 -10.935 1353 HA ASN 83 HA ASN 83 -10.024 7.433 -12.510 1354 1HB ASN 83 2HB ASN 83 -8.335 5.042 -12.379 1355 2HB ASN 83 1HB ASN 83 -8.756 5.459 -14.024 1356 1HD2 ASN 83 1HD2 ASN 83 -8.882 8.365 -13.632 1357 2HD2 ASN 83 2HD2 ASN 83 -7.300 8.898 -13.335 1358 H VAL 84 HN VAL 84 -12.127 7.533 -13.371 1359 HA VAL 84 HA VAL 84 -13.276 4.983 -14.409 1360 HB VAL 84 HB VAL 84 -15.380 6.626 -14.453 1361 1HG1 VAL 84 1HG1 VAL 84 -14.305 5.602 -11.822 1362 2HG1 VAL 84 2HG1 VAL 84 -14.881 4.523 -13.096 1363 3HG1 VAL 84 3HG1 VAL 84 -15.986 5.686 -12.357 1364 1HG2 VAL 84 1HG2 VAL 84 -15.295 8.262 -12.654 1365 2HG2 VAL 84 2HG2 VAL 84 -13.994 8.611 -13.792 1366 3HG2 VAL 84 3HG2 VAL 84 -13.638 7.803 -12.266 1367 H GLU 85 HN GLU 85 -13.857 4.701 -16.481 1368 HA GLU 85 HA GLU 85 -13.548 7.000 -18.391 1369 1HB GLU 85 2HB GLU 85 -11.529 5.567 -18.330 1370 2HB GLU 85 1HB GLU 85 -12.528 4.153 -18.672 1371 1HG GLU 85 2HG GLU 85 -13.224 5.155 -20.814 1372 2HG GLU 85 1HG GLU 85 -12.226 6.571 -20.479 1373 H ARG 86 HN ARG 86 -15.107 7.032 -20.031 1374 HA ARG 86 HA ARG 86 -17.473 5.378 -19.634 1375 1HB ARG 86 2HB ARG 86 -17.488 7.788 -20.203 1376 2HB ARG 86 1HB ARG 86 -16.733 7.419 -21.754 1377 1HG ARG 86 2HG ARG 86 -18.669 6.017 -22.368 1378 2HG ARG 86 1HG ARG 86 -19.428 6.387 -20.819 1379 1HD ARG 86 2HD ARG 86 -19.311 8.841 -21.444 1380 2HD ARG 86 1HD ARG 86 -18.808 8.330 -23.067 1381 HE ARG 86 HE ARG 86 -21.484 8.002 -21.925 1382 1HH1 ARG 86 1HH1 ARG 86 -19.120 6.853 -24.170 1383 2HH1 ARG 86 2HH1 ARG 86 -20.287 6.129 -25.223 1384 1HH2 ARG 86 1HH2 ARG 86 -23.010 7.058 -23.291 1385 2HH2 ARG 86 2HH2 ARG 86 -22.485 6.244 -24.726 1386 H ALA 87 HN ALA 87 -18.086 3.589 -20.800 1387 HA ALA 87 HA ALA 87 -16.599 2.933 -23.328 1388 1HB ALA 87 1HB ALA 87 -15.912 0.969 -22.411 1389 2HB ALA 87 2HB ALA 87 -17.467 0.702 -21.625 1390 3HB ALA 87 3HB ALA 87 -16.268 1.744 -20.868 1391 H ALA 88 HN ALA 88 -17.870 1.776 -24.886 1392 HA ALA 88 HA ALA 88 -20.828 1.801 -24.335 1393 1HB ALA 88 1HB ALA 88 -21.073 2.649 -26.592 1394 2HB ALA 88 2HB ALA 88 -19.365 2.366 -26.929 1395 3HB ALA 88 3HB ALA 88 -19.843 3.620 -25.784 1396 H LYS 89 HN LYS 89 -22.096 0.212 -25.518 1397 HA LYS 89 HA LYS 89 -21.025 -2.401 -25.467 1398 1HB LYS 89 2HB LYS 89 -23.385 -1.263 -27.000 1399 2HB LYS 89 1HB LYS 89 -23.150 -2.970 -26.622 1400 1HG LYS 89 2HG LYS 89 -23.410 -0.736 -24.587 1401 2HG LYS 89 1HG LYS 89 -24.662 -1.913 -24.985 1402 1HD LYS 89 2HD LYS 89 -22.888 -3.702 -24.385 1403 2HD LYS 89 1HD LYS 89 -22.021 -2.377 -23.606 1404 1HE LYS 89 2HE LYS 89 -23.318 -2.985 -21.800 1405 2HE LYS 89 1HE LYS 89 -24.529 -1.972 -22.609 1406 1HZ LYS 89 1HZ LYS 89 -24.152 -4.816 -23.328 1407 2HZ LYS 89 2HZ LYS 89 -25.482 -3.811 -23.658 1408 3HZ LYS 89 3HZ LYS 89 -25.198 -4.357 -22.074 1409 H PHE 90 HN PHE 90 -21.634 -0.311 -28.325 1410 HA PHE 90 HA PHE 90 -19.396 -1.603 -29.733 1411 1HB PHE 90 2HB PHE 90 -20.771 -2.531 -31.491 1412 2HB PHE 90 1HB PHE 90 -21.422 -3.090 -29.954 1413 HD1 PHE 90 HD1 PHE 90 -21.945 -0.846 -32.822 1414 HD2 PHE 90 HD2 PHE 90 -23.540 -2.230 -29.078 1415 HE1 PHE 90 HE1 PHE 90 -24.134 0.183 -33.376 1416 HE2 PHE 90 HE2 PHE 90 -25.732 -1.201 -29.632 1417 HZ PHE 90 HZ PHE 90 -26.028 0.004 -31.782 1418 H SER 91 HN SER 91 -18.935 -0.498 -31.780 1419 HA SER 91 HA SER 91 -20.486 1.930 -32.426 1420 1HB SER 91 2HB SER 91 -17.712 1.899 -31.239 1421 2HB SER 91 1HB SER 91 -18.263 3.249 -32.227 1422 HG SER 91 HG SER 91 -19.091 2.394 -29.703 1423 H ASP 92 HN ASP 92 -20.653 1.692 -34.626 1424 HA ASP 92 HA ASP 92 -18.773 0.185 -36.227 1425 1HB ASP 92 2HB ASP 92 -21.021 2.133 -36.812 1426 2HB ASP 92 1HB ASP 92 -20.170 1.247 -38.078 1427 H GLU 93 HN GLU 93 -19.304 3.666 -35.676 1428 HA GLU 93 HA GLU 93 -16.903 4.244 -37.359 1429 1HB GLU 93 2HB GLU 93 -19.360 5.846 -36.592 1430 2HB GLU 93 1HB GLU 93 -18.034 6.481 -37.567 1431 1HG GLU 93 2HG GLU 93 -18.407 4.746 -39.256 1432 2HG GLU 93 1HG GLU 93 -19.686 4.036 -38.270 1433 H ILE 94 HN ILE 94 -16.162 3.503 -34.857 1434 HA ILE 94 HA ILE 94 -15.989 5.585 -32.877 1435 HB ILE 94 HB ILE 94 -14.224 3.246 -33.655 1436 1HG1 ILE 94 2HG1 ILE 94 -16.532 2.785 -32.789 1437 2HG1 ILE 94 1HG1 ILE 94 -15.261 2.174 -31.726 1438 1HG2 ILE 94 1HG2 ILE 94 -13.972 5.267 -31.436 1439 2HG2 ILE 94 2HG2 ILE 94 -12.717 4.630 -32.499 1440 3HG2 ILE 94 3HG2 ILE 94 -13.383 3.620 -31.217 1441 1HD1 ILE 94 1HD1 ILE 94 -16.728 3.268 -30.241 1442 2HD1 ILE 94 2HD1 ILE 94 -17.010 4.602 -31.360 1443 3HD1 ILE 94 3HD1 ILE 94 -15.465 4.466 -30.520 1444 H GLY 95 HN GLY 95 -13.976 4.777 -35.707 1445 1HA GLY 95 2HA GLY 95 -12.865 6.484 -37.016 1446 2HA GLY 95 1HA GLY 95 -12.886 7.539 -35.603 1447 H GLY 96 HN GLY 96 -11.706 6.192 -33.631 1448 1HA GLY 96 2HA GLY 96 -8.972 5.715 -34.698 1449 2HA GLY 96 1HA GLY 96 -9.361 6.103 -33.021 1450 H HIS 97 HN HIS 97 -7.721 4.004 -33.287 1451 HA HIS 97 HA HIS 97 -8.695 1.423 -33.780 1452 1HB HIS 97 2HB HIS 97 -6.948 0.740 -32.199 1453 2HB HIS 97 1HB HIS 97 -6.375 2.106 -33.156 1454 HD1 HIS 97 HD1 HIS 97 -6.498 4.503 -31.958 1455 HD2 HIS 97 HD2 HIS 97 -7.058 1.222 -29.449 1456 HE1 HIS 97 HE1 HIS 97 -6.205 5.353 -29.590 1457 HN3 RBF 98 HN3 RBF 98 4.156 6.597 -13.215 1458 HC6 RBF 98 HC6 RBF 98 3.452 5.037 -19.962 1459 1HC7 RBF 98 1HC7 RBF 98 2.697 4.651 -22.180 1460 2HC7 RBF 98 2HC7 RBF 98 3.086 6.184 -22.991 1461 3HC7 RBF 98 3HC7 RBF 98 1.399 5.635 -22.889 1462 1HC8 RBF 98 1HC8 RBF 98 0.154 8.968 -21.996 1463 2HC8 RBF 98 2HC8 RBF 98 0.011 7.303 -22.598 1464 3HC8 RBF 98 3HC8 RBF 98 1.441 8.275 -23.005 1465 HC9 RBF 98 HC9 RBF 98 0.640 9.122 -19.736 1466 1HC1 RBF 98 1HC1 RBF 98 1.329 10.403 -17.945 1467 2HC1 RBF 98 2HC1 RBF 98 0.923 9.981 -16.269 1468 HC2* RBF 98 HC2* RBF 98 -0.564 8.282 -18.081 1469 HO2* RBF 98 HO2* RBF 98 -1.508 9.745 -19.386 1470 HC3* RBF 98 HC3* RBF 98 -0.879 9.530 -15.617 1471 HO3* RBF 98 HO3* RBF 98 -1.853 7.540 -16.536 1472 HC4* RBF 98 HC4* RBF 98 -2.976 10.860 -15.873 1473 HO4* RBF 98 HO4* RBF 98 -3.795 11.273 -17.857 1474 1HC5 RBF 98 1HC5 RBF 98 -0.789 11.999 -15.725 1475 2HC5 RBF 98 2HC5 RBF 98 -0.618 11.900 -17.488 1476 HO5* RBF 98 HO5* RBF 98 -2.834 13.031 -17.413 1477 HN3 RBF 99 HN3 RBF 99 -18.688 -6.434 -12.244 1478 HC6 RBF 99 HC6 RBF 99 -18.210 -5.489 -19.124 1479 1HC7 RBF 99 1HC7 RBF 99 -17.529 -5.307 -21.392 1480 2HC7 RBF 99 2HC7 RBF 99 -17.939 -6.907 -22.047 1481 3HC7 RBF 99 3HC7 RBF 99 -16.252 -6.351 -22.050 1482 1HC8 RBF 99 1HC8 RBF 99 -14.968 -9.590 -20.901 1483 2HC8 RBF 99 2HC8 RBF 99 -14.850 -7.986 -21.655 1484 3HC8 RBF 99 3HC8 RBF 99 -16.290 -8.990 -21.926 1485 HC9 RBF 99 HC9 RBF 99 -15.379 -9.537 -18.621 1486 1HC1 RBF 99 1HC1 RBF 99 -16.005 -10.650 -16.699 1487 2HC1 RBF 99 2HC1 RBF 99 -15.545 -10.077 -15.083 1488 HC2* RBF 99 HC2* RBF 99 -14.125 -8.550 -17.089 1489 HO2* RBF 99 HO2* RBF 99 -13.218 -10.125 -18.286 1490 HC3* RBF 99 HC3* RBF 99 -13.724 -9.568 -14.535 1491 HO3* RBF 99 HO3* RBF 99 -12.788 -7.669 -15.662 1492 HC4* RBF 99 HC4* RBF 99 -11.632 -10.913 -14.735 1493 HO4* RBF 99 HO4* RBF 99 -10.878 -11.507 -16.702 1494 1HC5 RBF 99 1HC5 RBF 99 -13.810 -12.036 -14.413 1495 2HC5 RBF 99 2HC5 RBF 99 -14.039 -12.098 -16.174 1496 HO5* RBF 99 HO5* RBF 99 -11.817 -13.217 -16.068 Start of MODEL 10 1 1H MET 1 1HT MET 1 -14.235 -0.545 -29.807 2 2H MET 1 2HT MET 1 -15.020 0.179 -28.486 3 3H MET 1 3HT MET 1 -15.886 -0.830 -29.544 4 HA MET 1 HA MET 1 -15.527 -2.295 -27.828 5 1HB MET 1 2HB MET 1 -13.150 -2.329 -29.711 6 2HB MET 1 1HB MET 1 -13.523 -3.652 -28.606 7 1HG MET 1 2HG MET 1 -15.775 -3.853 -29.640 8 2HG MET 1 1HG MET 1 -15.344 -2.579 -30.781 9 1HE MET 1 1HE MET 1 -13.676 -3.039 -32.986 10 2HE MET 1 2HE MET 1 -12.259 -3.995 -32.563 11 3HE MET 1 3HE MET 1 -12.769 -2.679 -31.510 12 H PHE 2 HN PHE 2 -14.143 -3.029 -26.017 13 HA PHE 2 HA PHE 2 -11.681 -1.788 -25.289 14 1HB PHE 2 2HB PHE 2 -12.537 -0.222 -23.591 15 2HB PHE 2 1HB PHE 2 -13.154 0.209 -25.184 16 HD1 PHE 2 HD1 PHE 2 -15.494 0.480 -25.494 17 HD2 PHE 2 HD2 PHE 2 -14.029 -1.817 -22.156 18 HE1 PHE 2 HE1 PHE 2 -17.803 0.226 -24.645 19 HE2 PHE 2 HE2 PHE 2 -16.349 -2.052 -21.310 20 HZ PHE 2 HZ PHE 2 -18.233 -1.032 -22.553 21 H THR 3 HN THR 3 -10.871 -2.850 -23.438 22 HA THR 3 HA THR 3 -12.780 -4.580 -21.931 23 HB THR 3 HB THR 3 -11.096 -6.402 -22.250 24 HG1 THR 3 HG1 THR 3 -9.621 -5.778 -24.121 25 1HG2 THR 3 1HG2 THR 3 -11.427 -6.603 -24.783 26 2HG2 THR 3 2HG2 THR 3 -12.275 -5.059 -24.686 27 3HG2 THR 3 3HG2 THR 3 -12.884 -6.460 -23.804 28 H GLY 4 HN GLY 4 -9.530 -3.177 -22.194 29 1HA GLY 4 2HA GLY 4 -7.894 -2.790 -20.560 30 2HA GLY 4 1HA GLY 4 -9.243 -2.199 -19.590 31 H ILE 5 HN ILE 5 -9.242 -5.494 -20.745 32 HA ILE 5 HA ILE 5 -9.515 -6.452 -18.004 33 HB ILE 5 HB ILE 5 -9.213 -7.887 -20.663 34 1HG1 ILE 5 2HG1 ILE 5 -11.699 -7.266 -19.043 35 2HG1 ILE 5 1HG1 ILE 5 -11.155 -6.290 -20.405 36 1HG2 ILE 5 1HG2 ILE 5 -8.724 -9.379 -18.777 37 2HG2 ILE 5 2HG2 ILE 5 -10.299 -9.777 -19.463 38 3HG2 ILE 5 3HG2 ILE 5 -10.198 -8.858 -17.961 39 1HD1 ILE 5 1HD1 ILE 5 -12.315 -7.701 -21.738 40 2HD1 ILE 5 2HD1 ILE 5 -12.568 -8.836 -20.412 41 3HD1 ILE 5 3HD1 ILE 5 -11.088 -8.912 -21.368 42 H VAL 6 HN VAL 6 -7.941 -7.203 -16.680 43 HA VAL 6 HA VAL 6 -5.153 -7.083 -17.597 44 HB VAL 6 HB VAL 6 -6.729 -7.073 -15.075 45 1HG1 VAL 6 1HG1 VAL 6 -4.600 -7.455 -13.742 46 2HG1 VAL 6 2HG1 VAL 6 -3.894 -8.129 -15.212 47 3HG1 VAL 6 3HG1 VAL 6 -5.294 -8.903 -14.472 48 1HG2 VAL 6 1HG2 VAL 6 -5.927 -4.977 -15.156 49 2HG2 VAL 6 2HG2 VAL 6 -4.956 -5.388 -16.570 50 3HG2 VAL 6 3HG2 VAL 6 -4.294 -5.613 -14.951 51 H GLN 7 HN GLN 7 -3.772 -8.846 -17.793 52 HA GLN 7 HA GLN 7 -4.988 -11.498 -18.008 53 1HB GLN 7 2HB GLN 7 -2.844 -12.077 -18.950 54 2HB GLN 7 1HB GLN 7 -3.241 -10.457 -19.525 55 1HG GLN 7 2HG GLN 7 -1.842 -9.472 -17.758 56 2HG GLN 7 1HG GLN 7 -1.453 -11.086 -17.159 57 1HE2 GLN 7 1HE2 GLN 7 -1.487 -9.493 -20.409 58 2HE2 GLN 7 2HE2 GLN 7 0.040 -10.077 -20.866 59 H GLY 8 HN GLY 8 -3.004 -9.787 -15.624 60 1HA GLY 8 2HA GLY 8 -3.230 -12.130 -13.824 61 2HA GLY 8 1HA GLY 8 -1.595 -11.650 -14.280 62 H THR 9 HN THR 9 -1.981 -11.484 -11.659 63 HA THR 9 HA THR 9 -2.606 -8.595 -11.141 64 HB THR 9 HB THR 9 -3.230 -9.513 -8.830 65 HG1 THR 9 HG1 THR 9 -2.653 -11.514 -8.619 66 1HG2 THR 9 1HG2 THR 9 -4.747 -10.282 -11.332 67 2HG2 THR 9 2HG2 THR 9 -4.989 -8.858 -10.320 68 3HG2 THR 9 3HG2 THR 9 -5.423 -10.456 -9.714 69 H ALA 10 HN ALA 10 -1.485 -7.816 -9.090 70 HA ALA 10 HA ALA 10 1.242 -9.014 -8.744 71 1HB ALA 10 1HB ALA 10 1.457 -6.205 -8.668 72 2HB ALA 10 2HB ALA 10 0.399 -6.549 -10.040 73 3HB ALA 10 3HB ALA 10 2.012 -7.267 -9.962 74 H LYS 11 HN LYS 11 2.147 -8.601 -6.666 75 HA LYS 11 HA LYS 11 0.162 -7.624 -4.642 76 1HB LYS 11 2HB LYS 11 1.059 -9.898 -4.392 77 2HB LYS 11 1HB LYS 11 2.697 -9.257 -4.417 78 1HG LYS 11 2HG LYS 11 2.334 -8.030 -2.370 79 2HG LYS 11 1HG LYS 11 0.619 -8.437 -2.378 80 1HD LYS 11 2HD LYS 11 0.977 -10.552 -1.600 81 2HD LYS 11 1HD LYS 11 2.491 -10.735 -2.490 82 1HE LYS 11 2HE LYS 11 3.579 -9.158 -0.852 83 2HE LYS 11 1HE LYS 11 2.076 -9.193 0.095 84 1HZ LYS 11 1HZ LYS 11 3.930 -10.941 0.562 85 2HZ LYS 11 2HZ LYS 11 3.278 -11.724 -0.798 86 3HZ LYS 11 3HZ LYS 11 2.302 -11.417 0.560 87 H LEU 12 HN LEU 12 0.504 -5.526 -4.021 88 HA LEU 12 HA LEU 12 2.965 -4.046 -4.324 89 1HB LEU 12 2HB LEU 12 0.478 -3.318 -3.867 90 2HB LEU 12 1HB LEU 12 0.888 -3.615 -2.190 91 HG LEU 12 HG LEU 12 2.648 -1.975 -2.242 92 1HD1 LEU 12 1HD1 LEU 12 2.751 -0.657 -4.563 93 2HD1 LEU 12 2HD1 LEU 12 2.230 -2.219 -5.194 94 3HD1 LEU 12 3HD1 LEU 12 3.735 -2.094 -4.282 95 1HD2 LEU 12 1HD2 LEU 12 -0.078 -1.371 -2.788 96 2HD2 LEU 12 2HD2 LEU 12 0.892 -0.248 -3.741 97 3HD2 LEU 12 3HD2 LEU 12 1.113 -0.340 -1.993 98 H VAL 13 HN VAL 13 4.771 -4.310 -3.127 99 HA VAL 13 HA VAL 13 4.507 -5.604 -0.439 100 HB VAL 13 HB VAL 13 5.382 -7.234 -1.885 101 1HG1 VAL 13 1HG1 VAL 13 6.013 -6.527 -3.923 102 2HG1 VAL 13 2HG1 VAL 13 7.605 -6.287 -3.200 103 3HG1 VAL 13 3HG1 VAL 13 6.478 -4.936 -3.313 104 1HG2 VAL 13 1HG2 VAL 13 7.691 -5.760 -0.605 105 2HG2 VAL 13 2HG2 VAL 13 7.820 -7.388 -1.273 106 3HG2 VAL 13 3HG2 VAL 13 6.756 -7.079 0.099 107 H SER 14 HN SER 14 6.110 -3.248 -2.481 108 HA SER 14 HA SER 14 7.055 -1.878 0.004 109 1HB SER 14 2HB SER 14 8.685 -3.566 -1.424 110 2HB SER 14 1HB SER 14 9.066 -2.005 -2.140 111 HG SER 14 HG SER 14 9.253 -2.831 0.558 112 H ILE 15 HN ILE 15 7.066 0.358 -0.219 113 HA ILE 15 HA ILE 15 6.523 1.472 -2.955 114 HB ILE 15 HB ILE 15 6.218 2.853 -0.277 115 1HG1 ILE 15 2HG1 ILE 15 4.195 1.254 -1.868 116 2HG1 ILE 15 1HG1 ILE 15 4.809 0.882 -0.260 117 1HG2 ILE 15 1HG2 ILE 15 5.512 3.421 -3.131 118 2HG2 ILE 15 2HG2 ILE 15 6.130 4.514 -1.892 119 3HG2 ILE 15 3HG2 ILE 15 4.433 4.023 -1.873 120 1HD1 ILE 15 1HD1 ILE 15 2.785 1.941 0.241 121 2HD1 ILE 15 2HD1 ILE 15 2.942 3.080 -1.097 122 3HD1 ILE 15 3HD1 ILE 15 3.935 3.274 0.347 123 H ASP 16 HN ASP 16 8.031 2.861 -3.806 124 HA ASP 16 HA ASP 16 10.374 3.597 -2.101 125 1HB ASP 16 2HB ASP 16 9.983 3.005 -5.026 126 2HB ASP 16 1HB ASP 16 11.386 3.923 -4.476 127 H GLU 17 HN GLU 17 10.126 5.708 -1.426 128 HA GLU 17 HA GLU 17 8.626 7.583 -3.197 129 1HB GLU 17 2HB GLU 17 7.951 7.172 -0.816 130 2HB GLU 17 1HB GLU 17 9.504 7.834 -0.303 131 1HG GLU 17 2HG GLU 17 8.973 9.973 -1.390 132 2HG GLU 17 1HG GLU 17 7.434 9.318 -1.951 133 H LYS 18 HN LYS 18 9.970 8.718 -4.550 134 HA LYS 18 HA LYS 18 12.632 9.612 -3.510 135 1HB LYS 18 2HB LYS 18 11.680 9.731 -6.373 136 2HB LYS 18 1HB LYS 18 13.331 9.599 -5.770 137 1HG LYS 18 2HG LYS 18 12.566 7.309 -4.808 138 2HG LYS 18 1HG LYS 18 11.209 7.464 -5.926 139 1HD LYS 18 2HD LYS 18 14.111 7.695 -6.767 140 2HD LYS 18 1HD LYS 18 13.175 6.204 -6.874 141 1HE LYS 18 2HE LYS 18 11.687 7.120 -8.490 142 2HE LYS 18 1HE LYS 18 12.216 8.779 -8.148 143 1HZ LYS 18 1HZ LYS 18 13.349 8.039 -10.102 144 2HZ LYS 18 2HZ LYS 18 13.834 6.597 -9.349 145 3HZ LYS 18 3HZ LYS 18 14.480 8.083 -8.839 146 HA PRO 19 HA PRO 19 10.894 13.639 -2.976 147 1HB PRO 19 2HB PRO 19 13.309 14.989 -3.544 148 2HB PRO 19 1HB PRO 19 12.747 14.471 -1.945 149 1HG PRO 19 2HG PRO 19 14.688 13.182 -3.774 150 2HG PRO 19 1HG PRO 19 14.636 13.196 -2.005 151 1HD PRO 19 2HD PRO 19 13.945 11.024 -3.427 152 2HD PRO 19 1HD PRO 19 13.130 11.445 -1.903 153 H ASN 20 HN ASN 20 12.489 12.506 -5.846 154 HA ASN 20 HA ASN 20 11.609 14.865 -7.436 155 1HB ASN 20 2HB ASN 20 12.996 12.355 -8.397 156 2HB ASN 20 1HB ASN 20 13.049 13.967 -9.108 157 1HD2 ASN 20 1HD2 ASN 20 14.507 11.871 -6.742 158 2HD2 ASN 20 2HD2 ASN 20 15.638 12.985 -6.151 159 H PHE 21 HN PHE 21 10.925 11.428 -6.962 160 HA PHE 21 HA PHE 21 8.341 11.715 -8.366 161 1HB PHE 21 2HB PHE 21 10.606 9.938 -9.324 162 2HB PHE 21 1HB PHE 21 8.957 9.861 -9.941 163 HD1 PHE 21 HD1 PHE 21 7.980 11.786 -11.175 164 HD2 PHE 21 HD2 PHE 21 12.097 11.734 -9.937 165 HE1 PHE 21 HE1 PHE 21 8.474 13.650 -12.737 166 HE2 PHE 21 HE2 PHE 21 12.590 13.598 -11.500 167 HZ PHE 21 HZ PHE 21 10.779 14.555 -12.901 168 H ARG 22 HN ARG 22 6.895 9.982 -7.826 169 HA ARG 22 HA ARG 22 7.699 8.398 -5.464 170 1HB ARG 22 2HB ARG 22 5.517 9.654 -5.701 171 2HB ARG 22 1HB ARG 22 5.063 8.494 -6.951 172 1HG ARG 22 2HG ARG 22 5.172 6.658 -5.400 173 2HG ARG 22 1HG ARG 22 5.898 7.678 -4.158 174 1HD ARG 22 2HD ARG 22 3.837 9.009 -4.006 175 2HD ARG 22 1HD ARG 22 3.096 8.028 -5.288 176 HE ARG 22 HE ARG 22 3.905 6.107 -3.525 177 1HH1 ARG 22 1HH1 ARG 22 2.183 9.084 -3.158 178 2HH1 ARG 22 2HH1 ARG 22 1.294 8.544 -1.775 179 1HH2 ARG 22 1HH2 ARG 22 2.747 5.399 -1.726 180 2HH2 ARG 22 2HH2 ARG 22 1.610 6.462 -0.968 181 H THR 23 HN THR 23 7.788 6.140 -5.463 182 HA THR 23 HA THR 23 7.624 4.762 -8.115 183 HB THR 23 HB THR 23 9.749 4.574 -5.953 184 HG1 THR 23 HG1 THR 23 10.293 5.388 -8.552 185 1HG2 THR 23 1HG2 THR 23 10.945 3.239 -7.750 186 2HG2 THR 23 2HG2 THR 23 9.414 3.191 -8.625 187 3HG2 THR 23 3HG2 THR 23 9.545 2.440 -7.035 188 H HIS 24 HN HIS 24 6.866 2.590 -7.974 189 HA HIS 24 HA HIS 24 6.186 1.615 -5.227 190 1HB HIS 24 2HB HIS 24 4.507 2.443 -7.467 191 2HB HIS 24 1HB HIS 24 4.112 0.827 -6.878 192 HD1 HIS 24 HD1 HIS 24 2.994 4.068 -6.300 193 HD2 HIS 24 HD2 HIS 24 4.404 1.127 -3.709 194 HE1 HIS 24 HE1 HIS 24 2.184 4.701 -3.983 195 H VAL 25 HN VAL 25 6.600 -0.552 -4.921 196 HA VAL 25 HA VAL 25 7.396 -2.143 -7.324 197 HB VAL 25 HB VAL 25 8.169 -2.574 -4.442 198 1HG1 VAL 25 1HG1 VAL 25 9.315 -3.476 -7.094 199 2HG1 VAL 25 2HG1 VAL 25 8.571 -4.490 -5.858 200 3HG1 VAL 25 3HG1 VAL 25 10.124 -3.713 -5.545 201 1HG2 VAL 25 1HG2 VAL 25 9.009 -0.410 -4.845 202 2HG2 VAL 25 2HG2 VAL 25 9.341 -0.764 -6.539 203 3HG2 VAL 25 3HG2 VAL 25 10.364 -1.452 -5.279 204 H VAL 26 HN VAL 26 6.298 -3.953 -7.742 205 HA VAL 26 HA VAL 26 4.376 -4.989 -5.687 206 HB VAL 26 HB VAL 26 2.993 -5.595 -7.623 207 1HG1 VAL 26 1HG1 VAL 26 3.426 -3.051 -6.733 208 2HG1 VAL 26 2HG1 VAL 26 2.206 -3.473 -7.934 209 3HG1 VAL 26 3HG1 VAL 26 3.778 -2.862 -8.452 210 1HG2 VAL 26 1HG2 VAL 26 3.747 -4.962 -9.909 211 2HG2 VAL 26 2HG2 VAL 26 4.798 -6.173 -9.176 212 3HG2 VAL 26 3HG2 VAL 26 5.308 -4.486 -9.240 213 H GLU 27 HN GLU 27 3.894 -7.403 -6.120 214 HA GLU 27 HA GLU 27 6.455 -8.848 -6.587 215 1HB GLU 27 2HB GLU 27 4.740 -8.840 -4.510 216 2HB GLU 27 1HB GLU 27 3.974 -10.073 -5.505 217 1HG GLU 27 2HG GLU 27 5.890 -11.463 -5.460 218 2HG GLU 27 1HG GLU 27 6.917 -10.163 -4.861 219 H LEU 28 HN LEU 28 6.617 -9.749 -8.590 220 HA LEU 28 HA LEU 28 4.275 -9.998 -10.306 221 1HB LEU 28 2HB LEU 28 6.820 -9.341 -10.707 222 2HB LEU 28 1HB LEU 28 6.997 -11.077 -10.947 223 HG LEU 28 HG LEU 28 5.353 -11.063 -12.728 224 1HD1 LEU 28 1HD1 LEU 28 4.780 -8.378 -13.223 225 2HD1 LEU 28 2HD1 LEU 28 4.626 -8.527 -11.473 226 3HD1 LEU 28 3HD1 LEU 28 3.670 -9.562 -12.533 227 1HD2 LEU 28 1HD2 LEU 28 6.454 -9.509 -14.331 228 2HD2 LEU 28 2HD2 LEU 28 7.630 -10.407 -13.376 229 3HD2 LEU 28 3HD2 LEU 28 7.276 -8.727 -12.983 230 HA PRO 29 HA PRO 29 3.475 -14.170 -8.945 231 1HB PRO 29 2HB PRO 29 1.565 -14.703 -10.849 232 2HB PRO 29 1HB PRO 29 1.247 -13.835 -9.339 233 1HG PRO 29 2HG PRO 29 1.651 -12.771 -12.081 234 2HG PRO 29 1HG PRO 29 0.573 -12.206 -10.796 235 1HD PRO 29 2HD PRO 29 2.908 -10.973 -11.424 236 2HD PRO 29 1HD PRO 29 2.210 -10.961 -9.789 237 H ASP 30 HN ASP 30 3.281 -16.358 -10.174 238 HA ASP 30 HA ASP 30 5.713 -16.851 -11.512 239 1HB ASP 30 2HB ASP 30 4.196 -18.444 -10.274 240 2HB ASP 30 1HB ASP 30 3.144 -18.451 -11.690 241 H HIS 31 HN HIS 31 2.452 -16.316 -12.895 242 HA HIS 31 HA HIS 31 3.479 -16.835 -15.601 243 1HB HIS 31 2HB HIS 31 1.151 -16.660 -16.227 244 2HB HIS 31 1HB HIS 31 1.234 -17.562 -14.720 245 HD1 HIS 31 HD1 HIS 31 1.823 -14.536 -13.291 246 HD2 HIS 31 HD2 HIS 31 -1.530 -15.977 -15.295 247 HE1 HIS 31 HE1 HIS 31 -0.138 -13.125 -12.520 248 H MET 32 HN MET 32 3.675 -14.208 -13.627 249 HA MET 32 HA MET 32 3.675 -12.327 -15.967 250 1HB MET 32 2HB MET 32 3.290 -11.913 -12.992 251 2HB MET 32 1HB MET 32 3.595 -10.579 -14.105 252 1HG MET 32 2HG MET 32 1.320 -12.561 -14.384 253 2HG MET 32 1HG MET 32 1.159 -10.946 -13.694 254 1HE MET 32 1HE MET 32 3.109 -9.208 -15.344 255 2HE MET 32 2HE MET 32 1.465 -8.781 -14.877 256 3HE MET 32 3HE MET 32 1.984 -8.560 -16.546 257 H LEU 33 HN LEU 33 5.542 -14.026 -13.644 258 HA LEU 33 HA LEU 33 7.823 -12.257 -13.457 259 1HB LEU 33 2HB LEU 33 7.181 -15.142 -12.922 260 2HB LEU 33 1HB LEU 33 8.859 -14.603 -12.847 261 HG LEU 33 HG LEU 33 6.633 -13.192 -11.354 262 1HD1 LEU 33 1HD1 LEU 33 7.175 -14.468 -9.406 263 2HD1 LEU 33 2HD1 LEU 33 8.576 -15.199 -10.190 264 3HD1 LEU 33 3HD1 LEU 33 6.946 -15.646 -10.699 265 1HD2 LEU 33 1HD2 LEU 33 8.897 -12.099 -11.893 266 2HD2 LEU 33 2HD2 LEU 33 9.596 -13.276 -10.782 267 3HD2 LEU 33 3HD2 LEU 33 8.404 -12.113 -10.200 268 H ASP 34 HN ASP 34 6.976 -14.977 -15.588 269 HA ASP 34 HA ASP 34 9.557 -14.925 -16.956 270 1HB ASP 34 2HB ASP 34 8.200 -16.957 -16.559 271 2HB ASP 34 1HB ASP 34 6.916 -16.290 -17.567 272 H GLY 35 HN GLY 35 9.994 -13.258 -18.369 273 1HA GLY 35 2HA GLY 35 9.506 -12.612 -20.729 274 2HA GLY 35 1HA GLY 35 7.809 -12.494 -20.267 275 H LEU 36 HN LEU 36 7.796 -10.986 -18.016 276 HA LEU 36 HA LEU 36 8.084 -8.370 -19.089 277 1HB LEU 36 2HB LEU 36 6.558 -9.303 -17.245 278 2HB LEU 36 1HB LEU 36 7.925 -9.075 -16.153 279 HG LEU 36 HG LEU 36 7.286 -6.763 -17.892 280 1HD1 LEU 36 1HD1 LEU 36 5.197 -6.312 -17.135 281 2HD1 LEU 36 2HD1 LEU 36 5.583 -6.843 -15.499 282 3HD1 LEU 36 3HD1 LEU 36 5.127 -8.025 -16.726 283 1HD2 LEU 36 1HD2 LEU 36 7.428 -6.457 -14.972 284 2HD2 LEU 36 2HD2 LEU 36 8.371 -5.660 -16.232 285 3HD2 LEU 36 3HD2 LEU 36 8.839 -7.262 -15.660 286 H GLU 37 HN GLU 37 9.522 -6.659 -18.506 287 HA GLU 37 HA GLU 37 11.987 -7.325 -16.988 288 1HB GLU 37 2HB GLU 37 13.334 -6.616 -18.986 289 2HB GLU 37 1HB GLU 37 12.392 -8.079 -19.280 290 1HG GLU 37 2HG GLU 37 10.629 -6.728 -20.358 291 2HG GLU 37 1HG GLU 37 11.578 -5.268 -20.075 292 H THR 38 HN THR 38 13.396 -5.254 -16.866 293 HA THR 38 HA THR 38 11.810 -3.074 -15.901 294 HB THR 38 HB THR 38 14.345 -2.088 -16.411 295 HG1 THR 38 HG1 THR 38 15.195 -3.910 -17.213 296 1HG2 THR 38 1HG2 THR 38 13.000 -3.497 -14.159 297 2HG2 THR 38 2HG2 THR 38 13.635 -1.855 -14.238 298 3HG2 THR 38 3HG2 THR 38 14.737 -3.217 -14.031 299 H GLY 39 HN GLY 39 11.724 -0.864 -16.804 300 1HA GLY 39 2HA GLY 39 11.475 0.716 -18.518 301 2HA GLY 39 1HA GLY 39 12.498 -0.293 -19.531 302 H ALA 40 HN ALA 40 10.091 -2.240 -18.332 303 HA ALA 40 HA ALA 40 8.646 -2.281 -20.894 304 1HB ALA 40 1HB ALA 40 7.379 -4.074 -19.453 305 2HB ALA 40 2HB ALA 40 8.690 -3.811 -18.303 306 3HB ALA 40 3HB ALA 40 9.048 -4.391 -19.929 307 H SER 41 HN SER 41 6.178 -2.124 -20.879 308 HA SER 41 HA SER 41 5.308 -0.057 -18.889 309 1HB SER 41 2HB SER 41 3.385 -0.040 -20.753 310 2HB SER 41 1HB SER 41 4.893 0.831 -20.981 311 HG SER 41 HG SER 41 5.274 -0.440 -22.598 312 H VAL 42 HN VAL 42 4.283 -1.013 -17.200 313 HA VAL 42 HA VAL 42 2.472 -3.344 -17.702 314 HB VAL 42 HB VAL 42 4.128 -2.322 -15.435 315 1HG1 VAL 42 1HG1 VAL 42 1.341 -3.249 -15.116 316 2HG1 VAL 42 2HG1 VAL 42 2.338 -2.265 -14.044 317 3HG1 VAL 42 3HG1 VAL 42 2.532 -4.019 -14.065 318 1HG2 VAL 42 1HG2 VAL 42 3.379 -5.120 -15.469 319 2HG2 VAL 42 2HG2 VAL 42 4.986 -4.399 -15.584 320 3HG2 VAL 42 3HG2 VAL 42 4.005 -4.606 -17.036 321 H ALA 43 HN ALA 43 0.304 -2.942 -17.630 322 HA ALA 43 HA ALA 43 -0.649 -0.275 -16.719 323 1HB ALA 43 1HB ALA 43 -2.665 -0.876 -17.859 324 2HB ALA 43 2HB ALA 43 -2.238 -2.587 -17.858 325 3HB ALA 43 3HB ALA 43 -1.357 -1.460 -18.888 326 H HIS 44 HN HIS 44 -1.199 -0.138 -14.589 327 HA HIS 44 HA HIS 44 -1.824 -2.597 -13.054 328 1HB HIS 44 2HB HIS 44 -1.080 0.251 -12.511 329 2HB HIS 44 1HB HIS 44 -1.997 -0.601 -11.268 330 HD1 HIS 44 HD1 HIS 44 0.557 -2.310 -13.497 331 HD2 HIS 44 HD2 HIS 44 0.177 -1.046 -9.531 332 HE1 HIS 44 HE1 HIS 44 2.530 -3.281 -12.235 333 HE2 HIS 44 HE2 HIS 44 2.306 -2.517 -9.831 334 H ASN 45 HN ASN 45 -3.858 -3.237 -13.374 335 HA ASN 45 HA ASN 45 -6.154 -3.240 -13.756 336 1HB ASN 45 2HB ASN 45 -5.773 -1.828 -11.511 337 2HB ASN 45 1HB ASN 45 -6.442 -0.545 -12.524 338 1HD2 ASN 45 1HD2 ASN 45 -7.225 -3.440 -10.768 339 2HD2 ASN 45 2HD2 ASN 45 -8.849 -3.537 -11.222 340 H GLY 46 HN GLY 46 -4.089 -1.424 -15.426 341 1HA GLY 46 2HA GLY 46 -4.896 -1.056 -17.743 342 2HA GLY 46 1HA GLY 46 -6.299 -0.247 -17.049 343 H CYS 47 HN CYS 47 -3.784 0.776 -15.150 344 HA CYS 47 HA CYS 47 -3.428 3.239 -16.792 345 1HB CYS 47 2HB CYS 47 -4.098 3.299 -14.354 346 2HB CYS 47 1HB CYS 47 -2.524 2.610 -13.959 347 HG CYS 47 HG CYS 47 -1.607 4.841 -15.373 348 H CYS 48 HN CYS 48 -1.769 2.964 -18.257 349 HA CYS 48 HA CYS 48 0.308 1.004 -17.848 350 1HB CYS 48 2HB CYS 48 1.138 1.975 -20.020 351 2HB CYS 48 1HB CYS 48 -0.571 1.531 -20.047 352 HG CYS 48 HG CYS 48 -0.586 4.345 -19.243 353 H LEU 49 HN LEU 49 2.165 1.267 -16.758 354 HA LEU 49 HA LEU 49 3.544 3.898 -16.844 355 1HB LEU 49 2HB LEU 49 4.063 3.466 -14.351 356 2HB LEU 49 1HB LEU 49 2.427 3.994 -14.742 357 HG LEU 49 HG LEU 49 2.769 1.081 -14.873 358 1HD1 LEU 49 1HD1 LEU 49 3.976 0.879 -12.972 359 2HD1 LEU 49 2HD1 LEU 49 2.528 1.432 -12.130 360 3HD1 LEU 49 3HD1 LEU 49 3.787 2.590 -12.581 361 1HD2 LEU 49 1HD2 LEU 49 0.882 2.499 -13.031 362 2HD2 LEU 49 2HD2 LEU 49 0.587 1.114 -14.084 363 3HD2 LEU 49 3HD2 LEU 49 0.665 2.738 -14.765 364 H THR 50 HN THR 50 5.901 3.609 -16.399 365 HA THR 50 HA THR 50 6.730 1.032 -17.578 366 HB THR 50 HB THR 50 8.312 3.561 -17.031 367 HG1 THR 50 HG1 THR 50 6.899 2.752 -19.352 368 1HG2 THR 50 1HG2 THR 50 8.746 1.099 -18.721 369 2HG2 THR 50 2HG2 THR 50 9.843 1.834 -17.554 370 3HG2 THR 50 3HG2 THR 50 9.552 2.620 -19.105 371 H VAL 51 HN VAL 51 8.662 -0.066 -16.820 372 HA VAL 51 HA VAL 51 8.646 -0.409 -13.910 373 HB VAL 51 HB VAL 51 10.347 -1.703 -16.064 374 1HG1 VAL 51 1HG1 VAL 51 9.891 -3.647 -14.321 375 2HG1 VAL 51 2HG1 VAL 51 9.702 -2.286 -13.214 376 3HG1 VAL 51 3HG1 VAL 51 11.216 -2.505 -14.092 377 1HG2 VAL 51 1HG2 VAL 51 8.124 -3.305 -15.324 378 2HG2 VAL 51 2HG2 VAL 51 8.502 -2.608 -16.900 379 3HG2 VAL 51 3HG2 VAL 51 7.518 -1.704 -15.753 380 H THR 52 HN THR 52 9.921 0.896 -12.653 381 HA THR 52 HA THR 52 12.278 2.315 -13.611 382 HB THR 52 HB THR 52 12.515 2.804 -11.180 383 HG1 THR 52 HG1 THR 52 11.761 1.360 -9.885 384 1HG2 THR 52 1HG2 THR 52 9.769 3.308 -11.085 385 2HG2 THR 52 2HG2 THR 52 10.158 3.288 -12.805 386 3HG2 THR 52 3HG2 THR 52 11.013 4.385 -11.720 387 H GLU 53 HN GLU 53 11.646 -0.654 -11.757 388 HA GLU 53 HA GLU 53 14.289 -1.744 -12.492 389 1HB GLU 53 2HB GLU 53 14.797 -0.126 -10.700 390 2HB GLU 53 1HB GLU 53 13.614 -0.910 -9.652 391 1HG GLU 53 2HG GLU 53 15.796 -1.758 -9.054 392 2HG GLU 53 1HG GLU 53 14.933 -3.046 -9.893 393 H ILE 54 HN ILE 54 14.521 -3.963 -11.754 394 HA ILE 54 HA ILE 54 11.969 -5.214 -10.769 395 HB ILE 54 HB ILE 54 14.264 -6.239 -12.475 396 1HG1 ILE 54 2HG1 ILE 54 11.423 -6.453 -13.287 397 2HG1 ILE 54 1HG1 ILE 54 12.067 -4.814 -13.212 398 1HG2 ILE 54 1HG2 ILE 54 12.443 -8.230 -12.541 399 2HG2 ILE 54 2HG2 ILE 54 12.163 -7.641 -10.902 400 3HG2 ILE 54 3HG2 ILE 54 13.769 -8.197 -11.378 401 1HD1 ILE 54 1HD1 ILE 54 13.817 -6.817 -14.526 402 2HD1 ILE 54 2HD1 ILE 54 13.480 -5.145 -14.983 403 3HD1 ILE 54 3HD1 ILE 54 12.330 -6.421 -15.388 404 H ASN 55 HN ASN 55 12.071 -6.083 -8.800 405 HA ASN 55 HA ASN 55 14.726 -6.323 -7.458 406 1HB ASN 55 2HB ASN 55 11.872 -5.887 -6.627 407 2HB ASN 55 1HB ASN 55 13.010 -6.556 -5.456 408 1HD2 ASN 55 1HD2 ASN 55 12.119 -3.661 -7.235 409 2HD2 ASN 55 2HD2 ASN 55 13.251 -2.632 -6.502 410 H GLY 56 HN GLY 56 14.696 -8.352 -9.052 411 1HA GLY 56 2HA GLY 56 14.745 -10.726 -9.087 412 2HA GLY 56 1HA GLY 56 14.022 -10.736 -7.474 413 H ASN 57 HN ASN 57 11.920 -11.376 -7.397 414 HA ASN 57 HA ASN 57 10.359 -11.605 -9.866 415 1HB ASN 57 2HB ASN 57 9.214 -13.124 -8.617 416 2HB ASN 57 1HB ASN 57 10.485 -12.896 -7.437 417 1HD2 ASN 57 1HD2 ASN 57 7.461 -11.338 -8.439 418 2HD2 ASN 57 2HD2 ASN 57 6.942 -10.918 -6.878 419 H HIS 58 HN HIS 58 10.796 -9.319 -7.288 420 HA HIS 58 HA HIS 58 8.237 -7.974 -7.503 421 1HB HIS 58 2HB HIS 58 10.945 -7.460 -6.323 422 2HB HIS 58 1HB HIS 58 9.761 -6.156 -6.359 423 HD1 HIS 58 HD1 HIS 58 10.883 -8.419 -4.011 424 HD2 HIS 58 HD2 HIS 58 7.045 -7.597 -5.419 425 HE1 HIS 58 HE1 HIS 58 9.272 -9.216 -2.229 426 H VAL 59 HN VAL 59 7.968 -5.777 -8.377 427 HA VAL 59 HA VAL 59 10.095 -4.896 -10.249 428 HB VAL 59 HB VAL 59 7.182 -5.405 -10.899 429 1HG1 VAL 59 1HG1 VAL 59 7.763 -4.502 -13.147 430 2HG1 VAL 59 2HG1 VAL 59 9.333 -4.019 -12.509 431 3HG1 VAL 59 3HG1 VAL 59 7.865 -3.271 -11.887 432 1HG2 VAL 59 1HG2 VAL 59 9.744 -6.763 -11.325 433 2HG2 VAL 59 2HG2 VAL 59 8.855 -6.505 -12.829 434 3HG2 VAL 59 3HG2 VAL 59 8.102 -7.390 -11.503 435 H SER 60 HN SER 60 10.539 -2.835 -9.657 436 HA SER 60 HA SER 60 8.603 -1.147 -8.220 437 1HB SER 60 2HB SER 60 11.157 -1.344 -7.890 438 2HB SER 60 1HB SER 60 11.283 -0.374 -9.353 439 HG SER 60 HG SER 60 11.074 1.211 -7.975 440 H PHE 61 HN PHE 61 7.460 0.506 -9.192 441 HA PHE 61 HA PHE 61 7.975 1.022 -12.098 442 1HB PHE 61 2HB PHE 61 5.419 0.913 -10.470 443 2HB PHE 61 1HB PHE 61 5.482 1.554 -12.110 444 HD1 PHE 61 HD1 PHE 61 5.588 -1.459 -10.036 445 HD2 PHE 61 HD2 PHE 61 6.080 0.087 -14.017 446 HE1 PHE 61 HE1 PHE 61 5.426 -3.761 -10.951 447 HE2 PHE 61 HE2 PHE 61 5.920 -2.215 -14.929 448 HZ PHE 61 HZ PHE 61 5.591 -4.138 -13.397 449 H ASP 62 HN ASP 62 7.448 3.255 -12.791 450 HA ASP 62 HA ASP 62 8.076 5.219 -10.635 451 1HB ASP 62 2HB ASP 62 8.498 6.711 -12.587 452 2HB ASP 62 1HB ASP 62 9.413 5.212 -12.708 453 H LEU 63 HN LEU 63 6.813 6.988 -10.205 454 HA LEU 63 HA LEU 63 4.191 7.320 -11.517 455 1HB LEU 63 2HB LEU 63 4.710 5.702 -9.198 456 2HB LEU 63 1HB LEU 63 3.732 7.080 -8.722 457 HG LEU 63 HG LEU 63 2.765 6.038 -11.227 458 1HD1 LEU 63 1HD1 LEU 63 2.780 3.801 -10.948 459 2HD1 LEU 63 2HD1 LEU 63 2.170 3.946 -9.299 460 3HD1 LEU 63 3HD1 LEU 63 3.908 4.048 -9.612 461 1HD2 LEU 63 1HD2 LEU 63 1.349 5.735 -8.586 462 2HD2 LEU 63 2HD2 LEU 63 0.681 6.197 -10.152 463 3HD2 LEU 63 3HD2 LEU 63 1.643 7.350 -9.227 464 H MET 64 HN MET 64 3.980 9.535 -11.634 465 HA MET 64 HA MET 64 5.650 11.251 -9.933 466 1HB MET 64 2HB MET 64 5.242 11.681 -12.334 467 2HB MET 64 1HB MET 64 3.521 11.867 -12.010 468 1HG MET 64 2HG MET 64 4.003 13.773 -10.517 469 2HG MET 64 1HG MET 64 5.727 13.590 -10.845 470 1HE MET 64 1HE MET 64 5.269 16.759 -12.760 471 2HE MET 64 2HE MET 64 5.762 15.940 -11.282 472 3HE MET 64 3HE MET 64 4.088 16.453 -11.480 473 H LYS 65 HN LYS 65 4.909 12.549 -8.236 474 HA LYS 65 HA LYS 65 2.777 11.607 -6.667 475 1HB LYS 65 2HB LYS 65 4.659 12.899 -5.815 476 2HB LYS 65 1HB LYS 65 4.169 14.302 -6.767 477 1HG LYS 65 2HG LYS 65 2.056 14.429 -5.500 478 2HG LYS 65 1HG LYS 65 2.544 13.030 -4.544 479 1HD LYS 65 2HD LYS 65 4.495 14.258 -3.702 480 2HD LYS 65 1HD LYS 65 4.059 15.653 -4.689 481 1HE LYS 65 2HE LYS 65 1.854 15.746 -3.461 482 2HE LYS 65 1HE LYS 65 2.478 14.495 -2.370 483 1HZ LYS 65 1HZ LYS 65 4.314 16.667 -2.887 484 2HZ LYS 65 2HZ LYS 65 3.913 15.911 -1.420 485 3HZ LYS 65 3HZ LYS 65 2.914 17.133 -2.051 486 H GLU 66 HN GLU 66 2.843 14.553 -8.723 487 HA GLU 66 HA GLU 66 0.086 15.237 -8.206 488 1HB GLU 66 2HB GLU 66 1.831 16.806 -9.009 489 2HB GLU 66 1HB GLU 66 1.945 15.901 -10.519 490 1HG GLU 66 2HG GLU 66 0.508 17.793 -10.926 491 2HG GLU 66 1HG GLU 66 -0.515 16.357 -10.874 492 H THR 67 HN THR 67 1.703 13.375 -10.773 493 HA THR 67 HA THR 67 -0.633 12.784 -12.347 494 HB THR 67 HB THR 67 1.850 11.140 -11.762 495 HG1 THR 67 HG1 THR 67 2.150 13.320 -12.592 496 1HG2 THR 67 1HG2 THR 67 0.868 9.610 -13.082 497 2HG2 THR 67 2HG2 THR 67 0.976 10.772 -14.404 498 3HG2 THR 67 3HG2 THR 67 -0.483 10.693 -13.417 499 H LEU 68 HN LEU 68 0.805 11.303 -9.465 500 HA LEU 68 HA LEU 68 -0.807 8.984 -9.278 501 1HB LEU 68 2HB LEU 68 1.260 9.440 -8.015 502 2HB LEU 68 1HB LEU 68 0.467 10.770 -7.177 503 HG LEU 68 HG LEU 68 -1.292 8.730 -6.708 504 1HD1 LEU 68 1HD1 LEU 68 -0.255 6.781 -7.221 505 2HD1 LEU 68 2HD1 LEU 68 0.745 7.086 -5.801 506 3HD1 LEU 68 3HD1 LEU 68 1.312 7.570 -7.399 507 1HD2 LEU 68 1HD2 LEU 68 -0.683 9.076 -4.508 508 2HD2 LEU 68 2HD2 LEU 68 0.130 10.458 -5.243 509 3HD2 LEU 68 3HD2 LEU 68 1.043 8.998 -4.867 510 H ARG 69 HN ARG 69 -1.243 12.259 -7.915 511 HA ARG 69 HA ARG 69 -3.799 11.731 -6.679 512 1HB ARG 69 2HB ARG 69 -2.276 13.590 -6.112 513 2HB ARG 69 1HB ARG 69 -2.516 14.275 -7.721 514 1HG ARG 69 2HG ARG 69 -4.926 14.522 -7.263 515 2HG ARG 69 1HG ARG 69 -4.689 13.840 -5.652 516 1HD ARG 69 2HD ARG 69 -3.160 15.697 -5.084 517 2HD ARG 69 1HD ARG 69 -3.412 16.390 -6.698 518 HE ARG 69 HE ARG 69 -5.976 15.925 -5.615 519 1HH1 ARG 69 1HH1 ARG 69 -3.153 17.808 -4.959 520 2HH1 ARG 69 2HH1 ARG 69 -4.031 19.087 -4.192 521 1HH2 ARG 69 1HH2 ARG 69 -7.125 17.587 -4.615 522 2HH2 ARG 69 2HH2 ARG 69 -6.275 18.964 -3.997 523 H ILE 70 HN ILE 70 -2.839 12.991 -9.868 524 HA ILE 70 HA ILE 70 -5.437 13.735 -10.759 525 HB ILE 70 HB ILE 70 -2.815 13.921 -11.546 526 1HG1 ILE 70 2HG1 ILE 70 -5.152 14.447 -13.385 527 2HG1 ILE 70 1HG1 ILE 70 -4.797 15.441 -11.971 528 1HG2 ILE 70 1HG2 ILE 70 -2.627 11.857 -12.696 529 2HG2 ILE 70 2HG2 ILE 70 -2.873 13.065 -13.954 530 3HG2 ILE 70 3HG2 ILE 70 -4.213 12.039 -13.446 531 1HD1 ILE 70 1HD1 ILE 70 -3.774 15.947 -14.433 532 2HD1 ILE 70 2HD1 ILE 70 -2.504 14.914 -13.776 533 3HD1 ILE 70 3HD1 ILE 70 -2.958 16.396 -12.935 534 H THR 71 HN THR 71 -3.569 10.760 -11.051 535 HA THR 71 HA THR 71 -5.738 9.324 -12.430 536 HB THR 71 HB THR 71 -4.129 7.484 -12.365 537 HG1 THR 71 HG1 THR 71 -2.267 9.035 -11.001 538 1HG2 THR 71 1HG2 THR 71 -2.544 10.010 -12.838 539 2HG2 THR 71 2HG2 THR 71 -3.787 9.449 -13.956 540 3HG2 THR 71 3HG2 THR 71 -2.367 8.450 -13.640 541 H ASN 72 HN ASN 72 -5.784 6.940 -11.223 542 HA ASN 72 HA ASN 72 -6.587 7.472 -8.393 543 1HB ASN 72 2HB ASN 72 -8.441 6.645 -9.613 544 2HB ASN 72 1HB ASN 72 -7.442 5.548 -10.553 545 1HD2 ASN 72 1HD2 ASN 72 -8.704 3.661 -9.944 546 2HD2 ASN 72 2HD2 ASN 72 -8.662 3.034 -8.365 547 H LEU 73 HN LEU 73 -3.850 6.951 -9.750 548 HA LEU 73 HA LEU 73 -3.008 4.294 -8.945 549 1HB LEU 73 2HB LEU 73 -1.600 6.907 -9.556 550 2HB LEU 73 1HB LEU 73 -0.737 5.402 -9.245 551 HG LEU 73 HG LEU 73 -2.852 5.709 -11.402 552 1HD1 LEU 73 1HD1 LEU 73 -0.001 5.372 -12.123 553 2HD1 LEU 73 2HD1 LEU 73 -0.431 6.948 -11.459 554 3HD1 LEU 73 3HD1 LEU 73 -1.252 6.342 -12.897 555 1HD2 LEU 73 1HD2 LEU 73 -0.864 3.633 -11.752 556 2HD2 LEU 73 2HD2 LEU 73 -2.618 3.481 -11.665 557 3HD2 LEU 73 3HD2 LEU 73 -1.656 3.457 -10.187 558 H GLY 74 HN GLY 74 -2.876 7.512 -7.388 559 1HA GLY 74 2HA GLY 74 -1.244 6.962 -5.223 560 2HA GLY 74 1HA GLY 74 -2.607 8.070 -5.129 561 H ASP 75 HN ASP 75 -4.401 5.679 -5.844 562 HA ASP 75 HA ASP 75 -5.236 5.173 -3.156 563 1HB ASP 75 2HB ASP 75 -6.919 3.816 -4.244 564 2HB ASP 75 1HB ASP 75 -6.583 5.193 -5.295 565 H LEU 76 HN LEU 76 -2.896 3.578 -5.141 566 HA LEU 76 HA LEU 76 -3.084 0.896 -4.245 567 1HB LEU 76 2HB LEU 76 -0.696 2.582 -5.008 568 2HB LEU 76 1HB LEU 76 -0.681 0.826 -4.913 569 HG LEU 76 HG LEU 76 -2.568 2.411 -6.676 570 1HD1 LEU 76 1HD1 LEU 76 0.202 1.444 -7.068 571 2HD1 LEU 76 2HD1 LEU 76 -0.676 2.718 -7.915 572 3HD1 LEU 76 3HD1 LEU 76 -0.924 1.029 -8.360 573 1HD2 LEU 76 1HD2 LEU 76 -2.017 -0.371 -7.349 574 2HD2 LEU 76 2HD2 LEU 76 -3.568 0.426 -7.090 575 3HD2 LEU 76 3HD2 LEU 76 -2.668 -0.219 -5.716 576 H LYS 77 HN LYS 77 -2.328 -0.164 -2.478 577 HA LYS 77 HA LYS 77 -0.632 1.287 -0.504 578 1HB LYS 77 2HB LYS 77 -3.291 -0.080 -0.001 579 2HB LYS 77 1HB LYS 77 -2.175 0.368 1.291 580 1HG LYS 77 2HG LYS 77 -2.263 2.722 0.558 581 2HG LYS 77 1HG LYS 77 -3.380 2.278 -0.733 582 1HD LYS 77 2HD LYS 77 -5.006 1.482 0.941 583 2HD LYS 77 1HD LYS 77 -3.893 1.926 2.236 584 1HE LYS 77 2HE LYS 77 -4.841 3.944 0.182 585 2HE LYS 77 1HE LYS 77 -5.711 3.657 1.701 586 1HZ LYS 77 1HZ LYS 77 -3.432 5.204 1.346 587 2HZ LYS 77 2HZ LYS 77 -2.926 3.823 2.194 588 3HZ LYS 77 3HZ LYS 77 -4.176 4.793 2.811 589 H VAL 78 HN VAL 78 0.893 -0.082 0.423 590 HA VAL 78 HA VAL 78 1.483 -2.552 -0.832 591 HB VAL 78 HB VAL 78 2.279 -1.617 1.943 592 1HG1 VAL 78 1HG1 VAL 78 3.694 -3.368 1.918 593 2HG1 VAL 78 2HG1 VAL 78 4.355 -2.842 0.366 594 3HG1 VAL 78 3HG1 VAL 78 2.947 -3.914 0.415 595 1HG2 VAL 78 1HG2 VAL 78 4.189 -1.006 -0.102 596 2HG2 VAL 78 2HG2 VAL 78 3.333 0.108 0.964 597 3HG2 VAL 78 3HG2 VAL 78 2.624 -0.353 -0.583 598 H GLY 79 HN GLY 79 1.308 -4.715 -0.042 599 1HA GLY 79 2HA GLY 79 0.415 -6.440 1.354 600 2HA GLY 79 1HA GLY 79 -0.494 -5.216 2.243 601 H ASP 80 HN ASP 80 -1.140 -4.095 -0.602 602 HA ASP 80 HA ASP 80 -3.536 -5.820 -1.045 603 1HB ASP 80 2HB ASP 80 -3.457 -3.226 -0.735 604 2HB ASP 80 1HB ASP 80 -2.870 -3.207 -2.395 605 H TRP 81 HN TRP 81 -4.067 -6.111 -3.465 606 HA TRP 81 HA TRP 81 -1.535 -6.577 -5.016 607 1HB TRP 81 2HB TRP 81 -4.147 -8.093 -4.824 608 2HB TRP 81 1HB TRP 81 -3.004 -8.367 -6.136 609 HD1 TRP 81 HD1 TRP 81 -2.534 -7.939 -2.308 610 HE1 TRP 81 HE1 TRP 81 -1.010 -9.837 -1.480 611 HE3 TRP 81 HE3 TRP 81 -1.803 -10.458 -6.691 612 HZ2 TRP 81 HZ2 TRP 81 0.337 -12.133 -2.528 613 HZ3 TRP 81 HZ3 TRP 81 -0.395 -12.499 -6.748 614 HH2 TRP 81 HH2 TRP 81 0.675 -13.338 -4.672 615 H VAL 82 HN VAL 82 -1.934 -6.457 -7.429 616 HA VAL 82 HA VAL 82 -4.012 -4.423 -8.117 617 HB VAL 82 HB VAL 82 -1.953 -3.246 -8.020 618 1HG1 VAL 82 1HG1 VAL 82 -0.200 -4.679 -7.711 619 2HG1 VAL 82 2HG1 VAL 82 0.006 -4.451 -9.449 620 3HG1 VAL 82 3HG1 VAL 82 -0.849 -5.869 -8.840 621 1HG2 VAL 82 1HG2 VAL 82 -1.680 -4.146 -10.859 622 2HG2 VAL 82 2HG2 VAL 82 -1.663 -2.509 -10.197 623 3HG2 VAL 82 3HG2 VAL 82 -3.190 -3.372 -10.375 624 H ASN 83 HN ASN 83 -4.674 -4.495 -10.355 625 HA ASN 83 HA ASN 83 -4.522 -7.144 -11.652 626 1HB ASN 83 2HB ASN 83 -6.155 -4.705 -11.684 627 2HB ASN 83 1HB ASN 83 -5.825 -5.305 -13.301 628 1HD2 ASN 83 1HD2 ASN 83 -8.236 -5.827 -13.286 629 2HD2 ASN 83 2HD2 ASN 83 -8.730 -7.292 -12.585 630 H VAL 84 HN VAL 84 -2.467 -7.383 -12.576 631 HA VAL 84 HA VAL 84 -1.336 -5.010 -13.976 632 HB VAL 84 HB VAL 84 0.757 -6.660 -13.859 633 1HG1 VAL 84 1HG1 VAL 84 1.433 -5.456 -11.923 634 2HG1 VAL 84 2HG1 VAL 84 -0.233 -5.272 -11.363 635 3HG1 VAL 84 3HG1 VAL 84 0.324 -4.392 -12.790 636 1HG2 VAL 84 1HG2 VAL 84 -0.934 -7.523 -11.487 637 2HG2 VAL 84 2HG2 VAL 84 0.721 -8.027 -11.834 638 3HG2 VAL 84 3HG2 VAL 84 -0.596 -8.534 -12.892 639 H GLU 85 HN GLU 85 -0.816 -5.033 -16.087 640 HA GLU 85 HA GLU 85 -1.141 -7.589 -17.629 641 1HB GLU 85 2HB GLU 85 -3.250 -6.228 -17.546 642 2HB GLU 85 1HB GLU 85 -2.375 -4.899 -18.306 643 1HG GLU 85 2HG GLU 85 -1.907 -6.285 -20.267 644 2HG GLU 85 1HG GLU 85 -2.697 -7.666 -19.504 645 H ARG 86 HN ARG 86 0.358 -7.764 -19.310 646 HA ARG 86 HA ARG 86 2.618 -5.980 -19.247 647 1HB ARG 86 2HB ARG 86 3.511 -7.515 -20.886 648 2HB ARG 86 1HB ARG 86 2.545 -8.464 -19.756 649 1HG ARG 86 2HG ARG 86 0.630 -8.366 -21.325 650 2HG ARG 86 1HG ARG 86 1.622 -7.453 -22.462 651 1HD ARG 86 2HD ARG 86 3.249 -9.371 -22.509 652 2HD ARG 86 1HD ARG 86 2.108 -10.298 -21.514 653 HE ARG 86 HE ARG 86 0.722 -9.153 -23.753 654 1HH1 ARG 86 1HH1 ARG 86 2.999 -11.603 -22.878 655 2HH1 ARG 86 2HH1 ARG 86 2.567 -12.650 -24.187 656 1HH2 ARG 86 1HH2 ARG 86 0.155 -10.514 -25.462 657 2HH2 ARG 86 2HH2 ARG 86 0.960 -12.036 -25.647 658 H ALA 87 HN ALA 87 3.151 -4.286 -20.595 659 HA ALA 87 HA ALA 87 1.481 -3.853 -23.038 660 1HB ALA 87 1HB ALA 87 1.153 -1.630 -22.485 661 2HB ALA 87 2HB ALA 87 2.621 -1.550 -21.515 662 3HB ALA 87 3HB ALA 87 1.182 -2.339 -20.870 663 H ALA 88 HN ALA 88 2.653 -3.190 -24.830 664 HA ALA 88 HA ALA 88 5.636 -3.065 -24.506 665 1HB ALA 88 1HB ALA 88 5.783 -4.920 -25.805 666 2HB ALA 88 2HB ALA 88 4.579 -4.313 -26.943 667 3HB ALA 88 3HB ALA 88 4.065 -5.133 -25.469 668 H LYS 89 HN LYS 89 6.745 -1.785 -26.023 669 HA LYS 89 HA LYS 89 5.450 0.461 -27.257 670 1HB LYS 89 2HB LYS 89 8.103 -0.958 -27.636 671 2HB LYS 89 1HB LYS 89 7.711 0.573 -28.419 672 1HG LYS 89 2HG LYS 89 7.914 1.764 -26.488 673 2HG LYS 89 1HG LYS 89 7.181 0.489 -25.512 674 1HD LYS 89 2HD LYS 89 9.488 0.644 -24.843 675 2HD LYS 89 1HD LYS 89 9.325 -0.829 -25.801 676 1HE LYS 89 2HE LYS 89 10.181 0.349 -27.792 677 2HE LYS 89 1HE LYS 89 10.328 1.844 -26.847 678 1HZ LYS 89 1HZ LYS 89 11.945 0.931 -25.485 679 2HZ LYS 89 2HZ LYS 89 12.364 0.299 -27.005 680 3HZ LYS 89 3HZ LYS 89 11.535 -0.667 -25.879 681 H PHE 90 HN PHE 90 6.483 -2.721 -28.486 682 HA PHE 90 HA PHE 90 4.669 -2.364 -30.824 683 1HB PHE 90 2HB PHE 90 6.525 -3.050 -32.318 684 2HB PHE 90 1HB PHE 90 6.925 -1.568 -31.448 685 HD1 PHE 90 HD1 PHE 90 8.575 -1.558 -29.645 686 HD2 PHE 90 HD2 PHE 90 7.603 -5.177 -31.752 687 HE1 PHE 90 HE1 PHE 90 10.579 -2.659 -28.677 688 HE2 PHE 90 HE2 PHE 90 9.607 -6.278 -30.785 689 HZ PHE 90 HZ PHE 90 11.095 -5.019 -29.247 690 H SER 91 HN SER 91 4.185 -4.450 -31.871 691 HA SER 91 HA SER 91 4.942 -6.855 -30.250 692 1HB SER 91 2HB SER 91 2.220 -5.941 -31.216 693 2HB SER 91 1HB SER 91 2.529 -7.570 -30.623 694 HG SER 91 HG SER 91 2.890 -5.118 -29.232 695 H ASP 92 HN ASP 92 5.279 -8.725 -31.499 696 HA ASP 92 HA ASP 92 5.829 -8.413 -34.316 697 1HB ASP 92 2HB ASP 92 5.580 -10.773 -32.433 698 2HB ASP 92 1HB ASP 92 6.114 -10.935 -34.107 699 H GLU 93 HN GLU 93 3.153 -9.854 -32.487 700 HA GLU 93 HA GLU 93 0.966 -10.589 -33.243 701 1HB GLU 93 2HB GLU 93 1.788 -8.327 -35.083 702 2HB GLU 93 1HB GLU 93 0.153 -8.987 -35.040 703 1HG GLU 93 2HG GLU 93 -0.108 -8.371 -32.720 704 2HG GLU 93 1HG GLU 93 1.592 -7.914 -32.599 705 H ILE 94 HN ILE 94 2.734 -12.456 -34.088 706 HA ILE 94 HA ILE 94 3.018 -12.859 -36.903 707 HB ILE 94 HB ILE 94 2.738 -14.744 -34.546 708 1HG1 ILE 94 2HG1 ILE 94 4.674 -13.218 -34.470 709 2HG1 ILE 94 1HG1 ILE 94 5.201 -14.876 -34.760 710 1HG2 ILE 94 1HG2 ILE 94 4.042 -15.531 -37.129 711 2HG2 ILE 94 2HG2 ILE 94 2.282 -15.610 -37.020 712 3HG2 ILE 94 3HG2 ILE 94 3.281 -16.547 -35.906 713 1HD1 ILE 94 1HD1 ILE 94 4.674 -13.773 -37.305 714 2HD1 ILE 94 2HD1 ILE 94 6.250 -14.162 -36.617 715 3HD1 ILE 94 3HD1 ILE 94 5.577 -12.544 -36.420 716 H GLY 95 HN GLY 95 0.471 -13.848 -34.624 717 1HA GLY 95 2HA GLY 95 -0.948 -15.606 -36.188 718 2HA GLY 95 1HA GLY 95 -1.751 -14.541 -35.035 719 H GLY 96 HN GLY 96 -0.843 -14.940 -38.408 720 1HA GLY 96 2HA GLY 96 -3.155 -13.450 -39.298 721 2HA GLY 96 1HA GLY 96 -1.685 -12.496 -39.498 722 H HIS 97 HN HIS 97 -2.752 -12.945 -41.827 723 HA HIS 97 HA HIS 97 -0.927 -14.812 -43.158 724 1HB HIS 97 2HB HIS 97 -3.724 -15.472 -42.459 725 2HB HIS 97 1HB HIS 97 -3.288 -15.803 -44.136 726 HD1 HIS 97 HD1 HIS 97 -0.675 -16.995 -44.203 727 HD2 HIS 97 HD2 HIS 97 -3.135 -17.666 -40.905 728 HE1 HIS 97 HE1 HIS 97 0.197 -19.087 -43.073 729 1H MET 1 1HT MET 1 0.981 -0.011 -29.761 730 2H MET 1 2HT MET 1 -0.197 -1.165 -29.355 731 3H MET 1 3HT MET 1 0.858 -0.569 -28.165 732 HA MET 1 HA MET 1 -0.124 1.698 -28.560 733 1HB MET 1 2HB MET 1 -1.984 -0.100 -30.148 734 2HB MET 1 1HB MET 1 -2.315 1.592 -29.777 735 1HG MET 1 2HG MET 1 -0.252 2.258 -30.956 736 2HG MET 1 1HG MET 1 0.080 0.566 -31.330 737 1HE MET 1 1HE MET 1 -3.680 2.573 -31.789 738 2HE MET 1 2HE MET 1 -2.779 3.553 -32.942 739 3HE MET 1 3HE MET 1 -2.177 3.364 -31.297 740 H PHE 2 HN PHE 2 -0.849 2.006 -26.485 741 HA PHE 2 HA PHE 2 -3.303 0.849 -25.572 742 1HB PHE 2 2HB PHE 2 -2.379 -0.557 -23.773 743 2HB PHE 2 1HB PHE 2 -1.814 -1.127 -25.342 744 HD1 PHE 2 HD1 PHE 2 0.500 -1.406 -25.711 745 HD2 PHE 2 HD2 PHE 2 -0.849 1.165 -22.538 746 HE1 PHE 2 HE1 PHE 2 2.846 -1.093 -24.960 747 HE2 PHE 2 HE2 PHE 2 1.497 1.478 -21.795 748 HZ PHE 2 HZ PHE 2 3.344 0.349 -23.006 749 H THR 3 HN THR 3 -4.053 2.072 -23.801 750 HA THR 3 HA THR 3 -2.101 3.934 -22.525 751 HB THR 3 HB THR 3 -3.801 5.722 -22.949 752 HG1 THR 3 HG1 THR 3 -5.697 5.127 -23.565 753 1HG2 THR 3 1HG2 THR 3 -2.069 5.636 -24.564 754 2HG2 THR 3 2HG2 THR 3 -3.559 5.688 -25.501 755 3HG2 THR 3 3HG2 THR 3 -2.702 4.159 -25.295 756 H GLY 4 HN GLY 4 -5.352 2.509 -22.547 757 1HA GLY 4 2HA GLY 4 -6.927 2.261 -20.824 758 2HA GLY 4 1HA GLY 4 -5.536 1.775 -19.850 759 H ILE 5 HN ILE 5 -5.600 4.947 -21.306 760 HA ILE 5 HA ILE 5 -5.240 6.152 -18.675 761 HB ILE 5 HB ILE 5 -5.640 7.340 -21.441 762 1HG1 ILE 5 2HG1 ILE 5 -3.105 6.866 -19.856 763 2HG1 ILE 5 1HG1 ILE 5 -3.690 5.773 -21.105 764 1HG2 ILE 5 1HG2 ILE 5 -4.045 8.839 -19.495 765 2HG2 ILE 5 2HG2 ILE 5 -5.725 8.641 -18.981 766 3HG2 ILE 5 3HG2 ILE 5 -5.362 9.396 -20.532 767 1HD1 ILE 5 1HD1 ILE 5 -2.535 7.053 -22.572 768 2HD1 ILE 5 2HD1 ILE 5 -2.315 8.340 -21.386 769 3HD1 ILE 5 3HD1 ILE 5 -3.799 8.260 -22.336 770 H VAL 6 HN VAL 6 -6.772 7.017 -17.371 771 HA VAL 6 HA VAL 6 -9.589 6.810 -18.178 772 HB VAL 6 HB VAL 6 -7.928 7.031 -15.720 773 1HG1 VAL 6 1HG1 VAL 6 -9.846 7.642 -14.299 774 2HG1 VAL 6 2HG1 VAL 6 -10.834 7.905 -15.736 775 3HG1 VAL 6 3HG1 VAL 6 -9.454 8.954 -15.412 776 1HG2 VAL 6 1HG2 VAL 6 -8.734 4.942 -15.554 777 2HG2 VAL 6 2HG2 VAL 6 -9.712 5.202 -16.998 778 3HG2 VAL 6 3HG2 VAL 6 -10.370 5.589 -15.409 779 H GLN 7 HN GLN 7 -10.983 8.546 -18.485 780 HA GLN 7 HA GLN 7 -9.788 11.169 -18.982 781 1HB GLN 7 2HB GLN 7 -11.966 11.656 -19.898 782 2HB GLN 7 1HB GLN 7 -11.580 9.992 -20.337 783 1HG GLN 7 2HG GLN 7 -12.916 9.168 -18.440 784 2HG GLN 7 1HG GLN 7 -13.291 10.829 -17.978 785 1HE2 GLN 7 1HE2 GLN 7 -13.360 8.949 -21.069 786 2HE2 GLN 7 2HE2 GLN 7 -14.904 9.486 -21.525 787 H GLY 8 HN GLY 8 -11.669 9.683 -16.388 788 1HA GLY 8 2HA GLY 8 -11.408 12.175 -14.813 789 2HA GLY 8 1HA GLY 8 -13.053 11.651 -15.169 790 H THR 9 HN THR 9 -12.577 11.727 -12.558 791 HA THR 9 HA THR 9 -11.921 8.898 -11.801 792 HB THR 9 HB THR 9 -11.224 10.023 -9.607 793 HG1 THR 9 HG1 THR 9 -12.382 12.020 -10.422 794 1HG2 THR 9 1HG2 THR 9 -9.130 9.881 -10.423 795 2HG2 THR 9 2HG2 THR 9 -9.402 11.226 -11.531 796 3HG2 THR 9 3HG2 THR 9 -9.858 9.589 -12.002 797 H ALA 10 HN ALA 10 -12.961 8.299 -9.652 798 HA ALA 10 HA ALA 10 -15.687 9.526 -9.322 799 1HB ALA 10 1HB ALA 10 -15.899 6.740 -8.985 800 2HB ALA 10 2HB ALA 10 -14.876 6.949 -10.410 801 3HB ALA 10 3HB ALA 10 -16.484 7.677 -10.359 802 H LYS 11 HN LYS 11 -16.520 9.297 -7.180 803 HA LYS 11 HA LYS 11 -14.463 8.516 -5.150 804 1HB LYS 11 2HB LYS 11 -15.362 10.802 -5.077 805 2HB LYS 11 1HB LYS 11 -16.997 10.160 -4.987 806 1HG LYS 11 2HG LYS 11 -16.559 9.125 -2.852 807 2HG LYS 11 1HG LYS 11 -14.846 9.532 -2.956 808 1HD LYS 11 2HD LYS 11 -15.189 11.708 -2.361 809 2HD LYS 11 1HD LYS 11 -16.732 11.807 -3.212 810 1HE LYS 11 2HE LYS 11 -17.757 10.383 -1.401 811 2HE LYS 11 1HE LYS 11 -16.223 10.507 -0.513 812 1HZ LYS 11 1HZ LYS 11 -17.643 12.290 0.188 813 2HZ LYS 11 2HZ LYS 11 -17.943 12.756 -1.418 814 3HZ LYS 11 3HZ LYS 11 -16.393 12.949 -0.748 815 H LEU 12 HN LEU 12 -14.767 6.486 -4.328 816 HA LEU 12 HA LEU 12 -17.237 4.979 -4.413 817 1HB LEU 12 2HB LEU 12 -14.733 4.299 -3.978 818 2HB LEU 12 1HB LEU 12 -15.085 4.746 -2.322 819 HG LEU 12 HG LEU 12 -16.840 3.105 -2.164 820 1HD1 LEU 12 1HD1 LEU 12 -18.036 2.860 -4.088 821 2HD1 LEU 12 2HD1 LEU 12 -16.853 1.607 -4.464 822 3HD1 LEU 12 3HD1 LEU 12 -16.647 3.235 -5.107 823 1HD2 LEU 12 1HD2 LEU 12 -15.130 1.250 -3.557 824 2HD2 LEU 12 2HD2 LEU 12 -15.287 1.504 -1.819 825 3HD2 LEU 12 3HD2 LEU 12 -14.131 2.459 -2.749 826 H VAL 13 HN VAL 13 -19.000 5.354 -3.188 827 HA VAL 13 HA VAL 13 -18.654 6.881 -0.636 828 HB VAL 13 HB VAL 13 -19.586 8.372 -2.192 829 1HG1 VAL 13 1HG1 VAL 13 -20.280 7.479 -4.136 830 2HG1 VAL 13 2HG1 VAL 13 -21.847 7.306 -3.340 831 3HG1 VAL 13 3HG1 VAL 13 -20.718 5.951 -3.366 832 1HG2 VAL 13 1HG2 VAL 13 -21.982 7.065 -0.887 833 2HG2 VAL 13 2HG2 VAL 13 -21.866 8.741 -1.422 834 3HG2 VAL 13 3HG2 VAL 13 -20.887 8.179 -0.068 835 H SER 14 HN SER 14 -20.323 4.348 -2.386 836 HA SER 14 HA SER 14 -21.170 3.205 0.232 837 1HB SER 14 2HB SER 14 -22.853 4.755 -1.288 838 2HB SER 14 1HB SER 14 -23.252 3.134 -1.845 839 HG SER 14 HG SER 14 -23.136 3.988 0.864 840 H ILE 15 HN ILE 15 -21.176 0.959 0.213 841 HA ILE 15 HA ILE 15 -20.720 -0.398 -2.428 842 HB ILE 15 HB ILE 15 -20.319 -1.529 0.352 843 1HG1 ILE 15 2HG1 ILE 15 -18.358 -0.079 -1.446 844 2HG1 ILE 15 1HG1 ILE 15 -18.920 0.438 0.142 845 1HG2 ILE 15 1HG2 ILE 15 -18.582 -2.836 -1.193 846 2HG2 ILE 15 2HG2 ILE 15 -19.709 -2.354 -2.461 847 3HG2 ILE 15 3HG2 ILE 15 -20.275 -3.330 -1.106 848 1HD1 ILE 15 1HD1 ILE 15 -16.804 -1.443 -0.530 849 2HD1 ILE 15 2HD1 ILE 15 -17.992 -2.163 0.557 850 3HD1 ILE 15 3HD1 ILE 15 -17.164 -0.676 1.017 851 H ASP 16 HN ASP 16 -22.246 -1.863 -3.108 852 HA ASP 16 HA ASP 16 -24.528 -2.443 -1.253 853 1HB ASP 16 2HB ASP 16 -24.242 -2.119 -4.233 854 2HB ASP 16 1HB ASP 16 -25.621 -2.985 -3.553 855 H GLU 17 HN GLU 17 -24.249 -4.483 -0.400 856 HA GLU 17 HA GLU 17 -22.802 -6.510 -2.042 857 1HB GLU 17 2HB GLU 17 -22.049 -5.883 0.268 858 2HB GLU 17 1HB GLU 17 -23.580 -6.499 0.891 859 1HG GLU 17 2HG GLU 17 -23.077 -8.726 -0.016 860 2HG GLU 17 1HG GLU 17 -21.560 -8.122 -0.685 861 H LYS 18 HN LYS 18 -24.180 -7.761 -3.235 862 HA LYS 18 HA LYS 18 -26.805 -8.566 -2.033 863 1HB LYS 18 2HB LYS 18 -25.952 -8.943 -4.905 864 2HB LYS 18 1HB LYS 18 -27.581 -8.758 -4.259 865 1HG LYS 18 2HG LYS 18 -26.796 -6.390 -3.536 866 2HG LYS 18 1HG LYS 18 -25.476 -6.642 -4.681 867 1HD LYS 18 2HD LYS 18 -28.404 -6.954 -5.397 868 2HD LYS 18 1HD LYS 18 -27.480 -5.477 -5.671 869 1HE LYS 18 2HE LYS 18 -26.043 -6.534 -7.247 870 2HE LYS 18 1HE LYS 18 -26.552 -8.156 -6.738 871 1HZ LYS 18 1HZ LYS 18 -27.674 -7.348 -8.793 872 2HZ LYS 18 2HZ LYS 18 -28.398 -6.122 -7.867 873 3HZ LYS 18 3HZ LYS 18 -28.744 -7.753 -7.541 874 HA PRO 19 HA PRO 19 -25.032 -12.524 -1.195 875 1HB PRO 19 2HB PRO 19 -27.459 -13.924 -1.556 876 2HB PRO 19 1HB PRO 19 -26.846 -13.262 -0.030 877 1HG PRO 19 2HG PRO 19 -28.853 -12.148 -1.901 878 2HG PRO 19 1HG PRO 19 -28.742 -12.001 -0.141 879 1HD PRO 19 2HD PRO 19 -28.111 -9.965 -1.778 880 2HD PRO 19 1HD PRO 19 -27.242 -10.244 -0.249 881 H ASN 20 HN ASN 20 -26.730 -11.659 -4.099 882 HA ASN 20 HA ASN 20 -25.894 -14.151 -5.499 883 1HB ASN 20 2HB ASN 20 -27.324 -11.740 -6.634 884 2HB ASN 20 1HB ASN 20 -27.394 -13.409 -7.196 885 1HD2 ASN 20 1HD2 ASN 20 -28.779 -11.111 -4.980 886 2HD2 ASN 20 2HD2 ASN 20 -29.887 -12.169 -4.252 887 H PHE 21 HN PHE 21 -25.226 -10.679 -5.379 888 HA PHE 21 HA PHE 21 -22.675 -11.094 -6.822 889 1HB PHE 21 2HB PHE 21 -24.978 -9.413 -7.860 890 2HB PHE 21 1HB PHE 21 -23.351 -9.391 -8.538 891 HD1 PHE 21 HD1 PHE 21 -22.407 -11.419 -9.623 892 HD2 PHE 21 HD2 PHE 21 -26.480 -11.261 -8.255 893 HE1 PHE 21 HE1 PHE 21 -22.944 -13.418 -10.993 894 HE2 PHE 21 HE2 PHE 21 -27.017 -13.261 -9.625 895 HZ PHE 21 HZ PHE 21 -25.249 -14.339 -10.993 896 H ARG 22 HN ARG 22 -21.219 -9.316 -6.491 897 HA ARG 22 HA ARG 22 -21.949 -7.526 -4.255 898 1HB ARG 22 2HB ARG 22 -19.770 -8.794 -4.454 899 2HB ARG 22 1HB ARG 22 -19.366 -7.751 -5.817 900 1HG ARG 22 2HG ARG 22 -19.429 -5.783 -4.437 901 2HG ARG 22 1HG ARG 22 -20.107 -6.687 -3.083 902 1HD ARG 22 2HD ARG 22 -18.036 -7.995 -2.883 903 2HD ARG 22 1HD ARG 22 -17.345 -7.134 -4.273 904 HE ARG 22 HE ARG 22 -18.103 -5.061 -2.665 905 1HH1 ARG 22 1HH1 ARG 22 -16.355 -7.990 -2.088 906 2HH1 ARG 22 2HH1 ARG 22 -15.421 -7.324 -0.792 907 1HH2 ARG 22 1HH2 ARG 22 -16.886 -4.191 -0.979 908 2HH2 ARG 22 2HH2 ARG 22 -15.719 -5.178 -0.166 909 H THR 23 HN THR 23 -22.054 -5.275 -4.447 910 HA THR 23 HA THR 23 -21.981 -4.147 -7.226 911 HB THR 23 HB THR 23 -24.033 -3.766 -5.020 912 HG1 THR 23 HG1 THR 23 -24.621 -4.828 -7.527 913 1HG2 THR 23 1HG2 THR 23 -24.303 -2.846 -7.875 914 2HG2 THR 23 2HG2 THR 23 -23.487 -1.834 -6.683 915 3HG2 THR 23 3HG2 THR 23 -25.174 -2.289 -6.445 916 H HIS 24 HN HIS 24 -21.227 -1.969 -7.316 917 HA HIS 24 HA HIS 24 -20.462 -0.747 -4.689 918 1HB HIS 24 2HB HIS 24 -18.853 -1.771 -6.901 919 2HB HIS 24 1HB HIS 24 -18.444 -0.108 -6.471 920 HD1 HIS 24 HD1 HIS 24 -17.295 -3.282 -5.642 921 HD2 HIS 24 HD2 HIS 24 -18.629 -0.119 -3.283 922 HE1 HIS 24 HE1 HIS 24 -16.403 -3.700 -3.306 923 H VAL 25 HN VAL 25 -20.871 1.438 -4.558 924 HA VAL 25 HA VAL 25 -21.759 2.803 -7.074 925 HB VAL 25 HB VAL 25 -22.434 3.494 -4.220 926 1HG1 VAL 25 1HG1 VAL 25 -23.953 4.038 -6.778 927 2HG1 VAL 25 2HG1 VAL 25 -22.797 5.172 -6.079 928 3HG1 VAL 25 3HG1 VAL 25 -24.252 4.734 -5.185 929 1HG2 VAL 25 1HG2 VAL 25 -23.272 1.213 -5.794 930 2HG2 VAL 25 2HG2 VAL 25 -24.650 2.260 -5.453 931 3HG2 VAL 25 3HG2 VAL 25 -23.683 1.616 -4.126 932 H VAL 26 HN VAL 26 -20.691 4.577 -7.691 933 HA VAL 26 HA VAL 26 -18.701 5.789 -5.806 934 HB VAL 26 HB VAL 26 -17.385 6.220 -7.835 935 1HG1 VAL 26 1HG1 VAL 26 -18.057 3.460 -8.501 936 2HG1 VAL 26 2HG1 VAL 26 -17.929 3.704 -6.759 937 3HG1 VAL 26 3HG1 VAL 26 -16.572 4.111 -7.808 938 1HG2 VAL 26 1HG2 VAL 26 -18.220 5.346 -10.026 939 2HG2 VAL 26 2HG2 VAL 26 -19.209 6.661 -9.392 940 3HG2 VAL 26 3HG2 VAL 26 -19.768 4.994 -9.258 941 H GLU 27 HN GLU 27 -18.235 8.155 -6.472 942 HA GLU 27 HA GLU 27 -20.824 9.549 -6.982 943 1HB GLU 27 2HB GLU 27 -19.040 9.732 -4.971 944 2HB GLU 27 1HB GLU 27 -18.313 10.871 -6.101 945 1HG GLU 27 2HG GLU 27 -20.234 12.257 -6.118 946 2HG GLU 27 1HG GLU 27 -21.235 11.016 -5.368 947 H LEU 28 HN LEU 28 -21.059 10.263 -9.046 948 HA LEU 28 HA LEU 28 -18.779 10.360 -10.862 949 1HB LEU 28 2HB LEU 28 -21.333 9.665 -11.114 950 2HB LEU 28 1HB LEU 28 -21.525 11.371 -11.504 951 HG LEU 28 HG LEU 28 -19.943 11.199 -13.333 952 1HD1 LEU 28 1HD1 LEU 28 -18.247 9.725 -13.059 953 2HD1 LEU 28 2HD1 LEU 28 -19.374 8.481 -13.603 954 3HD1 LEU 28 3HD1 LEU 28 -19.161 8.787 -11.879 955 1HD2 LEU 28 1HD2 LEU 28 -22.202 9.278 -13.128 956 2HD2 LEU 28 2HD2 LEU 28 -21.074 9.005 -14.455 957 3HD2 LEU 28 3HD2 LEU 28 -21.912 10.549 -14.316 958 HA PRO 29 HA PRO 29 -17.952 14.639 -9.915 959 1HB PRO 29 2HB PRO 29 -16.110 15.000 -11.923 960 2HB PRO 29 1HB PRO 29 -15.737 14.274 -10.351 961 1HG PRO 29 2HG PRO 29 -16.229 12.964 -12.971 962 2HG PRO 29 1HG PRO 29 -15.106 12.519 -11.678 963 1HD PRO 29 2HD PRO 29 -17.453 11.232 -12.110 964 2HD PRO 29 1HD PRO 29 -16.701 11.369 -10.506 965 H ASP 30 HN ASP 30 -17.808 16.708 -11.344 966 HA ASP 30 HA ASP 30 -20.287 17.072 -12.636 967 1HB ASP 30 2HB ASP 30 -18.738 18.774 -11.600 968 2HB ASP 30 1HB ASP 30 -17.735 18.655 -13.045 969 H HIS 31 HN HIS 31 -17.074 16.419 -14.076 970 HA HIS 31 HA HIS 31 -18.194 16.688 -16.781 971 1HB HIS 31 2HB HIS 31 -15.888 16.462 -17.467 972 2HB HIS 31 1HB HIS 31 -15.925 17.496 -16.046 973 HD1 HIS 31 HD1 HIS 31 -16.449 14.611 -14.329 974 HD2 HIS 31 HD2 HIS 31 -13.174 15.870 -16.570 975 HE1 HIS 31 HE1 HIS 31 -14.457 13.279 -13.501 976 H MET 32 HN MET 32 -18.312 14.252 -14.570 977 HA MET 32 HA MET 32 -18.382 12.166 -16.728 978 1HB MET 32 2HB MET 32 -17.893 12.025 -13.744 979 2HB MET 32 1HB MET 32 -18.229 10.594 -14.719 980 1HG MET 32 2HG MET 32 -15.975 12.546 -15.255 981 2HG MET 32 1HG MET 32 -15.784 11.000 -14.428 982 1HE MET 32 1HE MET 32 -16.382 8.313 -16.880 983 2HE MET 32 2HE MET 32 -17.836 9.019 -16.178 984 3HE MET 32 3HE MET 32 -16.373 8.886 -15.206 985 H LEU 33 HN LEU 33 -20.176 14.065 -14.507 986 HA LEU 33 HA LEU 33 -22.442 12.317 -14.082 987 1HB LEU 33 2HB LEU 33 -21.794 15.240 -13.834 988 2HB LEU 33 1HB LEU 33 -23.466 14.708 -13.652 989 HG LEU 33 HG LEU 33 -21.185 13.442 -12.115 990 1HD1 LEU 33 1HD1 LEU 33 -22.853 15.878 -11.527 991 2HD1 LEU 33 2HD1 LEU 33 -21.122 15.638 -11.286 992 3HD1 LEU 33 3HD1 LEU 33 -22.279 14.858 -10.207 993 1HD2 LEU 33 1HD2 LEU 33 -24.127 13.572 -11.451 994 2HD2 LEU 33 2HD2 LEU 33 -22.910 12.469 -10.808 995 3HD2 LEU 33 3HD2 LEU 33 -23.461 12.299 -12.475 996 H ASP 34 HN ASP 34 -21.681 14.835 -16.479 997 HA ASP 34 HA ASP 34 -24.306 14.653 -17.747 998 1HB ASP 34 2HB ASP 34 -22.945 16.715 -17.583 999 2HB ASP 34 1HB ASP 34 -21.692 15.962 -18.570 1000 H GLY 35 HN GLY 35 -24.782 12.865 -18.987 1001 1HA GLY 35 2HA GLY 35 -24.373 12.007 -21.294 1002 2HA GLY 35 1HA GLY 35 -22.661 11.934 -20.882 1003 H LEU 36 HN LEU 36 -22.564 10.637 -18.506 1004 HA LEU 36 HA LEU 36 -22.876 7.935 -19.326 1005 1HB LEU 36 2HB LEU 36 -21.291 9.034 -17.628 1006 2HB LEU 36 1HB LEU 36 -22.620 8.903 -16.474 1007 HG LEU 36 HG LEU 36 -22.029 6.444 -18.016 1008 1HD1 LEU 36 1HD1 LEU 36 -20.247 6.420 -15.801 1009 2HD1 LEU 36 2HD1 LEU 36 -19.909 7.887 -16.721 1010 3HD1 LEU 36 3HD1 LEU 36 -19.842 6.313 -17.514 1011 1HD2 LEU 36 1HD2 LEU 36 -23.029 5.483 -16.215 1012 2HD2 LEU 36 2HD2 LEU 36 -23.523 7.126 -15.805 1013 3HD2 LEU 36 3HD2 LEU 36 -22.078 6.429 -15.071 1014 H GLU 37 HN GLU 37 -24.284 6.282 -18.542 1015 HA GLU 37 HA GLU 37 -26.700 7.078 -17.007 1016 1HB GLU 37 2HB GLU 37 -28.110 6.189 -18.884 1017 2HB GLU 37 1HB GLU 37 -27.185 7.620 -19.342 1018 1HG GLU 37 2HG GLU 37 -25.454 6.179 -20.353 1019 2HG GLU 37 1HG GLU 37 -26.386 4.750 -19.906 1020 H THR 38 HN THR 38 -28.094 5.024 -16.650 1021 HA THR 38 HA THR 38 -26.465 2.944 -15.545 1022 HB THR 38 HB THR 38 -29.012 1.912 -15.877 1023 HG1 THR 38 HG1 THR 38 -30.051 4.118 -15.211 1024 1HG2 THR 38 1HG2 THR 38 -28.217 1.880 -13.717 1025 2HG2 THR 38 2HG2 THR 38 -29.332 3.242 -13.596 1026 3HG2 THR 38 3HG2 THR 38 -27.605 3.531 -13.807 1027 H GLY 39 HN GLY 39 -26.396 0.663 -16.243 1028 1HA GLY 39 2HA GLY 39 -26.201 -1.068 -17.816 1029 2HA GLY 39 1HA GLY 39 -27.263 -0.157 -18.882 1030 H ALA 40 HN ALA 40 -24.825 1.895 -17.947 1031 HA ALA 40 HA ALA 40 -23.468 1.704 -20.550 1032 1HB ALA 40 1HB ALA 40 -22.169 3.631 -19.340 1033 2HB ALA 40 2HB ALA 40 -23.417 3.462 -18.102 1034 3HB ALA 40 3HB ALA 40 -23.866 3.889 -19.755 1035 H SER 41 HN SER 41 -21.021 1.542 -20.596 1036 HA SER 41 HA SER 41 -20.053 -0.324 -18.469 1037 1HB SER 41 2HB SER 41 -18.195 -0.496 -20.386 1038 2HB SER 41 1HB SER 41 -19.701 -1.396 -20.484 1039 HG SER 41 HG SER 41 -20.083 -0.304 -22.228 1040 H VAL 42 HN VAL 42 -18.981 0.784 -16.904 1041 HA VAL 42 HA VAL 42 -17.197 3.063 -17.683 1042 HB VAL 42 HB VAL 42 -18.769 2.251 -15.276 1043 1HG1 VAL 42 1HG1 VAL 42 -15.979 3.217 -15.138 1044 2HG1 VAL 42 2HG1 VAL 42 -16.926 2.318 -13.953 1045 3HG1 VAL 42 3HG1 VAL 42 -17.142 4.061 -14.115 1046 1HG2 VAL 42 1HG2 VAL 42 -18.012 5.035 -15.627 1047 2HG2 VAL 42 2HG2 VAL 42 -19.624 4.320 -15.547 1048 3HG2 VAL 42 3HG2 VAL 42 -18.751 4.361 -17.080 1049 H ALA 43 HN ALA 43 -15.023 2.676 -17.650 1050 HA ALA 43 HA ALA 43 -14.029 0.103 -16.532 1051 1HB ALA 43 1HB ALA 43 -12.156 2.071 -17.683 1052 2HB ALA 43 2HB ALA 43 -13.431 1.559 -18.788 1053 3HB ALA 43 3HB ALA 43 -12.358 0.361 -18.062 1054 H HIS 44 HN HIS 44 -13.405 0.157 -14.421 1055 HA HIS 44 HA HIS 44 -12.740 2.749 -13.137 1056 1HB HIS 44 2HB HIS 44 -13.453 -0.038 -12.309 1057 2HB HIS 44 1HB HIS 44 -12.498 0.925 -11.182 1058 HD1 HIS 44 HD1 HIS 44 -15.134 2.421 -13.469 1059 HD2 HIS 44 HD2 HIS 44 -14.613 1.523 -9.420 1060 HE1 HIS 44 HE1 HIS 44 -17.068 3.496 -12.233 1061 HE2 HIS 44 HE2 HIS 44 -16.758 2.955 -9.778 1062 H ASN 45 HN ASN 45 -10.729 3.357 -13.600 1063 HA ASN 45 HA ASN 45 -8.440 3.331 -14.047 1064 1HB ASN 45 2HB ASN 45 -8.739 2.133 -11.666 1065 2HB ASN 45 1HB ASN 45 -8.099 0.762 -12.578 1066 1HD2 ASN 45 1HD2 ASN 45 -7.273 3.807 -11.123 1067 2HD2 ASN 45 2HD2 ASN 45 -5.659 3.859 -11.629 1068 H GLY 46 HN GLY 46 -10.551 1.371 -15.466 1069 1HA GLY 46 2HA GLY 46 -9.827 0.794 -17.766 1070 2HA GLY 46 1HA GLY 46 -8.395 0.056 -17.053 1071 H CYS 47 HN CYS 47 -10.842 -0.791 -14.984 1072 HA CYS 47 HA CYS 47 -11.236 -3.398 -16.381 1073 1HB CYS 47 2HB CYS 47 -10.484 -3.236 -13.970 1074 2HB CYS 47 1HB CYS 47 -12.048 -2.517 -13.587 1075 HG CYS 47 HG CYS 47 -11.659 -5.454 -14.572 1076 H CYS 48 HN CYS 48 -12.945 -3.261 -17.806 1077 HA CYS 48 HA CYS 48 -15.017 -1.276 -17.506 1078 1HB CYS 48 2HB CYS 48 -15.918 -2.444 -19.546 1079 2HB CYS 48 1HB CYS 48 -14.214 -1.998 -19.678 1080 HG CYS 48 HG CYS 48 -15.181 -4.764 -19.984 1081 H LEU 49 HN LEU 49 -16.837 -1.439 -16.341 1082 HA LEU 49 HA LEU 49 -18.204 -4.072 -16.136 1083 1HB LEU 49 2HB LEU 49 -18.641 -3.415 -13.675 1084 2HB LEU 49 1HB LEU 49 -17.017 -3.975 -14.071 1085 HG LEU 49 HG LEU 49 -17.375 -1.086 -14.454 1086 1HD1 LEU 49 1HD1 LEU 49 -17.030 -1.413 -11.639 1087 2HD1 LEU 49 2HD1 LEU 49 -18.493 -2.282 -12.108 1088 3HD1 LEU 49 3HD1 LEU 49 -18.328 -0.567 -12.485 1089 1HD2 LEU 49 1HD2 LEU 49 -15.422 -2.382 -12.576 1090 2HD2 LEU 49 2HD2 LEU 49 -15.173 -1.032 -13.684 1091 3HD2 LEU 49 3HD2 LEU 49 -15.253 -2.680 -14.306 1092 H THR 50 HN THR 50 -20.546 -3.749 -15.642 1093 HA THR 50 HA THR 50 -21.427 -1.291 -17.017 1094 HB THR 50 HB THR 50 -22.977 -3.761 -16.186 1095 HG1 THR 50 HG1 THR 50 -22.390 -4.591 -18.132 1096 1HG2 THR 50 1HG2 THR 50 -23.546 -1.339 -17.814 1097 2HG2 THR 50 2HG2 THR 50 -24.650 -2.355 -16.887 1098 3HG2 THR 50 3HG2 THR 50 -24.105 -2.872 -18.481 1099 H VAL 51 HN VAL 51 -23.350 -0.134 -16.295 1100 HA VAL 51 HA VAL 51 -23.223 0.474 -13.432 1101 HB VAL 51 HB VAL 51 -25.002 1.567 -15.632 1102 1HG1 VAL 51 1HG1 VAL 51 -24.239 2.427 -12.878 1103 2HG1 VAL 51 2HG1 VAL 51 -25.803 2.519 -13.688 1104 3HG1 VAL 51 3HG1 VAL 51 -24.525 3.662 -14.104 1105 1HG2 VAL 51 1HG2 VAL 51 -23.181 2.369 -16.616 1106 2HG2 VAL 51 2HG2 VAL 51 -22.160 1.612 -15.397 1107 3HG2 VAL 51 3HG2 VAL 51 -22.779 3.244 -15.139 1108 H THR 52 HN THR 52 -24.443 -0.718 -12.015 1109 HA THR 52 HA THR 52 -26.829 -2.216 -12.761 1110 HB THR 52 HB THR 52 -26.982 -2.483 -10.290 1111 HG1 THR 52 HG1 THR 52 -24.926 -1.426 -9.323 1112 1HG2 THR 52 1HG2 THR 52 -24.993 -3.743 -10.037 1113 2HG2 THR 52 2HG2 THR 52 -24.092 -2.679 -11.115 1114 3HG2 THR 52 3HG2 THR 52 -25.322 -3.759 -11.769 1115 H GLU 53 HN GLU 53 -26.156 0.911 -11.204 1116 HA GLU 53 HA GLU 53 -28.820 1.926 -11.946 1117 1HB GLU 53 2HB GLU 53 -29.261 0.476 -9.999 1118 2HB GLU 53 1HB GLU 53 -28.046 1.352 -9.066 1119 1HG GLU 53 2HG GLU 53 -30.210 2.249 -8.473 1120 2HG GLU 53 1HG GLU 53 -29.382 3.457 -9.456 1121 H ILE 54 HN ILE 54 -29.037 4.202 -11.406 1122 HA ILE 54 HA ILE 54 -26.459 5.541 -10.627 1123 HB ILE 54 HB ILE 54 -28.817 6.402 -12.338 1124 1HG1 ILE 54 2HG1 ILE 54 -26.006 6.548 -13.264 1125 2HG1 ILE 54 1HG1 ILE 54 -26.638 4.922 -13.018 1126 1HG2 ILE 54 1HG2 ILE 54 -28.273 8.431 -11.359 1127 2HG2 ILE 54 2HG2 ILE 54 -27.092 8.407 -12.667 1128 3HG2 ILE 54 3HG2 ILE 54 -26.609 7.945 -11.035 1129 1HD1 ILE 54 1HD1 ILE 54 -28.114 5.087 -14.761 1130 2HD1 ILE 54 2HD1 ILE 54 -26.984 6.322 -15.321 1131 3HD1 ILE 54 3HD1 ILE 54 -28.442 6.793 -14.447 1132 H ASN 55 HN ASN 55 -26.490 6.586 -8.740 1133 HA ASN 55 HA ASN 55 -29.108 6.941 -7.338 1134 1HB ASN 55 2HB ASN 55 -26.226 6.588 -6.566 1135 2HB ASN 55 1HB ASN 55 -27.327 7.359 -5.423 1136 1HD2 ASN 55 1HD2 ASN 55 -26.482 4.316 -6.963 1137 2HD2 ASN 55 2HD2 ASN 55 -27.584 3.354 -6.101 1138 H GLY 56 HN GLY 56 -29.141 8.817 -9.109 1139 1HA GLY 56 2HA GLY 56 -29.204 11.179 -9.355 1140 2HA GLY 56 1HA GLY 56 -28.426 11.335 -7.777 1141 H ASN 57 HN ASN 57 -26.326 11.984 -7.831 1142 HA ASN 57 HA ASN 57 -24.851 11.991 -10.362 1143 1HB ASN 57 2HB ASN 57 -23.671 13.618 -9.297 1144 2HB ASN 57 1HB ASN 57 -24.899 13.497 -8.058 1145 1HD2 ASN 57 1HD2 ASN 57 -21.904 11.859 -9.016 1146 2HD2 ASN 57 2HD2 ASN 57 -21.333 11.583 -7.442 1147 H HIS 58 HN HIS 58 -25.180 9.955 -7.574 1148 HA HIS 58 HA HIS 58 -22.632 8.591 -7.753 1149 1HB HIS 58 2HB HIS 58 -25.297 8.183 -6.440 1150 2HB HIS 58 1HB HIS 58 -24.109 6.883 -6.397 1151 HD1 HIS 58 HD1 HIS 58 -25.161 9.348 -4.227 1152 HD2 HIS 58 HD2 HIS 58 -21.367 8.408 -5.685 1153 HE1 HIS 58 HE1 HIS 58 -23.493 10.307 -2.582 1154 H VAL 59 HN VAL 59 -22.379 6.324 -8.429 1155 HA VAL 59 HA VAL 59 -24.567 5.275 -10.142 1156 HB VAL 59 HB VAL 59 -21.681 5.728 -10.937 1157 1HG1 VAL 59 1HG1 VAL 59 -22.383 3.513 -11.706 1158 2HG1 VAL 59 2HG1 VAL 59 -22.339 4.626 -13.075 1159 3HG1 VAL 59 3HG1 VAL 59 -23.879 4.194 -12.336 1160 1HG2 VAL 59 1HG2 VAL 59 -24.275 7.021 -11.412 1161 2HG2 VAL 59 2HG2 VAL 59 -23.399 6.656 -12.903 1162 3HG2 VAL 59 3HG2 VAL 59 -22.645 7.655 -11.660 1163 H SER 60 HN SER 60 -24.993 3.277 -9.360 1164 HA SER 60 HA SER 60 -22.993 1.731 -7.837 1165 1HB SER 60 2HB SER 60 -25.534 1.950 -7.440 1166 2HB SER 60 1HB SER 60 -25.702 0.847 -8.800 1167 HG SER 60 HG SER 60 -25.385 0.115 -6.398 1168 H PHE 61 HN PHE 61 -21.866 0.002 -8.676 1169 HA PHE 61 HA PHE 61 -22.485 -0.782 -11.516 1170 1HB PHE 61 2HB PHE 61 -19.872 -0.522 -9.998 1171 2HB PHE 61 1HB PHE 61 -19.990 -1.309 -11.570 1172 HD1 PHE 61 HD1 PHE 61 -20.041 1.878 -9.773 1173 HD2 PHE 61 HD2 PHE 61 -20.660 -0.023 -13.579 1174 HE1 PHE 61 HE1 PHE 61 -19.920 4.088 -10.897 1175 HE2 PHE 61 HE2 PHE 61 -20.539 2.187 -14.701 1176 HZ PHE 61 HZ PHE 61 -20.168 4.242 -13.363 1177 H ASP 62 HN ASP 62 -21.965 -3.078 -12.017 1178 HA ASP 62 HA ASP 62 -22.518 -4.832 -9.678 1179 1HB ASP 62 2HB ASP 62 -22.998 -6.495 -11.472 1180 2HB ASP 62 1HB ASP 62 -23.922 -5.013 -11.697 1181 H LEU 63 HN LEU 63 -21.235 -6.553 -9.130 1182 HA LEU 63 HA LEU 63 -18.654 -6.996 -10.499 1183 1HB LEU 63 2HB LEU 63 -19.102 -5.176 -8.321 1184 2HB LEU 63 1HB LEU 63 -18.101 -6.502 -7.754 1185 HG LEU 63 HG LEU 63 -17.224 -5.690 -10.375 1186 1HD1 LEU 63 1HD1 LEU 63 -17.173 -3.433 -10.288 1187 2HD1 LEU 63 2HD1 LEU 63 -16.615 -3.437 -8.615 1188 3HD1 LEU 63 3HD1 LEU 63 -18.342 -3.563 -8.971 1189 1HD2 LEU 63 1HD2 LEU 63 -15.105 -5.755 -9.363 1190 2HD2 LEU 63 2HD2 LEU 63 -16.031 -6.812 -8.298 1191 3HD2 LEU 63 3HD2 LEU 63 -15.716 -5.143 -7.826 1192 H MET 64 HN MET 64 -18.436 -9.213 -10.422 1193 HA MET 64 HA MET 64 -20.038 -10.769 -8.515 1194 1HB MET 64 2HB MET 64 -19.710 -11.415 -10.880 1195 2HB MET 64 1HB MET 64 -17.980 -11.569 -10.600 1196 1HG MET 64 2HG MET 64 -18.401 -13.332 -8.925 1197 2HG MET 64 1HG MET 64 -20.136 -13.181 -9.208 1198 1HE MET 64 1HE MET 64 -18.570 -16.441 -10.252 1199 2HE MET 64 2HE MET 64 -20.290 -16.203 -10.549 1200 3HE MET 64 3HE MET 64 -19.549 -15.518 -9.105 1201 H LYS 65 HN LYS 65 -19.234 -11.905 -6.734 1202 HA LYS 65 HA LYS 65 -17.054 -10.823 -5.330 1203 1HB LYS 65 2HB LYS 65 -18.900 -12.035 -4.301 1204 2HB LYS 65 1HB LYS 65 -18.438 -13.517 -5.138 1205 1HG LYS 65 2HG LYS 65 -16.281 -13.527 -3.938 1206 2HG LYS 65 1HG LYS 65 -16.743 -12.047 -3.096 1207 1HD LYS 65 2HD LYS 65 -18.659 -13.197 -2.080 1208 2HD LYS 65 1HD LYS 65 -18.250 -14.675 -2.951 1209 1HE LYS 65 2HE LYS 65 -16.003 -14.652 -1.796 1210 2HE LYS 65 1HE LYS 65 -16.597 -13.307 -0.802 1211 1HZ LYS 65 1HZ LYS 65 -17.019 -15.488 0.231 1212 2HZ LYS 65 2HZ LYS 65 -17.972 -15.925 -1.106 1213 3HZ LYS 65 3HZ LYS 65 -18.453 -14.644 -0.098 1214 H GLU 66 HN GLU 66 -17.177 -13.943 -7.108 1215 HA GLU 66 HA GLU 66 -14.401 -14.573 -6.625 1216 1HB GLU 66 2HB GLU 66 -16.164 -16.212 -7.223 1217 2HB GLU 66 1HB GLU 66 -16.334 -15.448 -8.803 1218 1HG GLU 66 2HG GLU 66 -14.903 -17.368 -9.086 1219 2HG GLU 66 1HG GLU 66 -13.885 -15.931 -9.201 1220 H THR 67 HN THR 67 -16.112 -12.956 -9.293 1221 HA THR 67 HA THR 67 -13.833 -12.505 -10.995 1222 HB THR 67 HB THR 67 -16.304 -10.820 -10.476 1223 HG1 THR 67 HG1 THR 67 -17.063 -12.015 -12.325 1224 1HG2 THR 67 1HG2 THR 67 -15.193 -9.410 -11.866 1225 2HG2 THR 67 2HG2 THR 67 -15.667 -10.555 -13.122 1226 3HG2 THR 67 3HG2 THR 67 -14.067 -10.663 -12.389 1227 H LEU 68 HN LEU 68 -15.195 -10.771 -8.212 1228 HA LEU 68 HA LEU 68 -13.575 -8.442 -8.291 1229 1HB LEU 68 2HB LEU 68 -15.596 -8.784 -6.921 1230 2HB LEU 68 1HB LEU 68 -14.768 -10.032 -5.994 1231 HG LEU 68 HG LEU 68 -13.003 -7.955 -5.772 1232 1HD1 LEU 68 1HD1 LEU 68 -15.640 -6.868 -6.469 1233 2HD1 LEU 68 2HD1 LEU 68 -14.071 -6.066 -6.435 1234 3HD1 LEU 68 3HD1 LEU 68 -15.007 -6.233 -4.950 1235 1HD2 LEU 68 1HD2 LEU 68 -13.390 -8.551 -3.636 1236 2HD2 LEU 68 2HD2 LEU 68 -14.836 -9.419 -4.153 1237 3HD2 LEU 68 3HD2 LEU 68 -14.947 -7.724 -3.678 1238 H ARG 69 HN ARG 69 -13.078 -11.581 -6.659 1239 HA ARG 69 HA ARG 69 -10.482 -10.937 -5.557 1240 1HB ARG 69 2HB ARG 69 -11.977 -12.739 -4.772 1241 2HB ARG 69 1HB ARG 69 -11.788 -13.566 -6.319 1242 1HG ARG 69 2HG ARG 69 -9.364 -13.766 -5.924 1243 2HG ARG 69 1HG ARG 69 -9.548 -12.942 -4.374 1244 1HD ARG 69 2HD ARG 69 -11.049 -14.742 -3.587 1245 2HD ARG 69 1HD ARG 69 -10.849 -15.579 -5.140 1246 HE ARG 69 HE ARG 69 -8.251 -15.013 -4.192 1247 1HH1 ARG 69 1HH1 ARG 69 -11.042 -16.833 -3.272 1248 2HH1 ARG 69 2HH1 ARG 69 -10.132 -18.036 -2.422 1249 1HH2 ARG 69 1HH2 ARG 69 -7.061 -16.575 -3.085 1250 2HH2 ARG 69 2HH2 ARG 69 -7.882 -17.891 -2.315 1251 H ILE 70 HN ILE 70 -11.555 -12.481 -8.588 1252 HA ILE 70 HA ILE 70 -8.976 -13.301 -9.492 1253 HB ILE 70 HB ILE 70 -11.622 -13.563 -10.170 1254 1HG1 ILE 70 2HG1 ILE 70 -9.346 -14.248 -12.032 1255 2HG1 ILE 70 1HG1 ILE 70 -9.648 -15.110 -10.521 1256 1HG2 ILE 70 1HG2 ILE 70 -10.322 -12.168 -12.516 1257 2HG2 ILE 70 2HG2 ILE 70 -11.509 -11.413 -11.456 1258 3HG2 ILE 70 3HG2 ILE 70 -11.964 -12.806 -12.434 1259 1HD1 ILE 70 1HD1 ILE 70 -12.150 -15.051 -11.696 1260 2HD1 ILE 70 2HD1 ILE 70 -11.039 -16.420 -11.735 1261 3HD1 ILE 70 3HD1 ILE 70 -11.077 -15.277 -13.077 1262 H THR 71 HN THR 71 -10.876 -10.368 -9.986 1263 HA THR 71 HA THR 71 -8.749 -9.061 -11.562 1264 HB THR 71 HB THR 71 -10.365 -7.223 -11.612 1265 HG1 THR 71 HG1 THR 71 -12.423 -7.856 -10.402 1266 1HG2 THR 71 1HG2 THR 71 -12.046 -8.272 -12.841 1267 2HG2 THR 71 2HG2 THR 71 -12.077 -9.681 -11.783 1268 3HG2 THR 71 3HG2 THR 71 -10.742 -9.457 -12.911 1269 H ASN 72 HN ASN 72 -8.686 -6.574 -10.576 1270 HA ASN 72 HA ASN 72 -7.777 -6.847 -7.743 1271 1HB ASN 72 2HB ASN 72 -5.968 -6.134 -9.094 1272 2HB ASN 72 1HB ASN 72 -7.001 -5.132 -10.096 1273 1HD2 ASN 72 1HD2 ASN 72 -5.740 -3.170 -9.709 1274 2HD2 ASN 72 2HD2 ASN 72 -5.730 -2.417 -8.186 1275 H LEU 73 HN LEU 73 -10.558 -6.456 -9.047 1276 HA LEU 73 HA LEU 73 -11.385 -3.737 -8.460 1277 1HB LEU 73 2HB LEU 73 -12.802 -6.398 -8.782 1278 2HB LEU 73 1HB LEU 73 -13.660 -4.871 -8.580 1279 HG LEU 73 HG LEU 73 -11.618 -5.371 -10.773 1280 1HD1 LEU 73 1HD1 LEU 73 -13.940 -6.685 -10.694 1281 2HD1 LEU 73 2HD1 LEU 73 -13.305 -6.024 -12.201 1282 3HD1 LEU 73 3HD1 LEU 73 -14.548 -5.147 -11.308 1283 1HD2 LEU 73 1HD2 LEU 73 -12.894 -3.349 -11.725 1284 2HD2 LEU 73 2HD2 LEU 73 -11.822 -3.033 -10.361 1285 3HD2 LEU 73 3HD2 LEU 73 -13.564 -3.152 -10.106 1286 H GLY 74 HN GLY 74 -11.448 -6.802 -6.613 1287 1HA GLY 74 2HA GLY 74 -13.010 -6.060 -4.453 1288 2HA GLY 74 1HA GLY 74 -11.638 -7.152 -4.306 1289 H ASP 75 HN ASP 75 -9.881 -4.832 -5.296 1290 HA ASP 75 HA ASP 75 -8.958 -4.083 -2.694 1291 1HB ASP 75 2HB ASP 75 -7.319 -2.829 -3.958 1292 2HB ASP 75 1HB ASP 75 -7.684 -4.295 -4.869 1293 H LEU 76 HN LEU 76 -11.371 -2.679 -4.734 1294 HA LEU 76 HA LEU 76 -11.166 0.073 -4.093 1295 1HB LEU 76 2HB LEU 76 -13.572 -1.678 -4.618 1296 2HB LEU 76 1HB LEU 76 -13.590 0.079 -4.682 1297 HG LEU 76 HG LEU 76 -11.758 -1.656 -6.357 1298 1HD1 LEU 76 1HD1 LEU 76 -13.573 -2.026 -7.648 1299 2HD1 LEU 76 2HD1 LEU 76 -13.566 -0.300 -8.006 1300 3HD1 LEU 76 3HD1 LEU 76 -14.557 -0.923 -6.686 1301 1HD2 LEU 76 1HD2 LEU 76 -12.353 1.059 -7.246 1302 2HD2 LEU 76 2HD2 LEU 76 -10.788 0.284 -7.001 1303 3HD2 LEU 76 3HD2 LEU 76 -11.621 1.041 -5.640 1304 H LYS 77 HN LYS 77 -11.867 1.289 -2.404 1305 HA LYS 77 HA LYS 77 -13.488 0.021 -0.251 1306 1HB LYS 77 2HB LYS 77 -10.820 1.431 0.037 1307 2HB LYS 77 1HB LYS 77 -11.890 1.100 1.400 1308 1HG LYS 77 2HG LYS 77 -11.816 -1.310 0.879 1309 2HG LYS 77 1HG LYS 77 -10.744 -0.983 -0.483 1310 1HD LYS 77 2HD LYS 77 -9.067 -0.035 1.059 1311 2HD LYS 77 1HD LYS 77 -10.136 -0.367 2.423 1312 1HE LYS 77 2HE LYS 77 -9.245 -2.558 0.529 1313 2HE LYS 77 1HE LYS 77 -8.325 -2.133 1.986 1314 1HZ LYS 77 1HZ LYS 77 -10.975 -3.335 1.752 1315 2HZ LYS 77 2HZ LYS 77 -10.765 -2.194 2.995 1316 3HZ LYS 77 3HZ LYS 77 -9.779 -3.577 2.929 1317 H VAL 78 HN VAL 78 -14.987 1.467 0.601 1318 HA VAL 78 HA VAL 78 -15.630 3.810 -0.853 1319 HB VAL 78 HB VAL 78 -16.327 3.130 2.021 1320 1HG1 VAL 78 1HG1 VAL 78 -17.725 4.889 1.883 1321 2HG1 VAL 78 2HG1 VAL 78 -18.475 4.200 0.440 1322 3HG1 VAL 78 3HG1 VAL 78 -17.070 5.267 0.288 1323 1HG2 VAL 78 1HG2 VAL 78 -16.949 1.828 -0.535 1324 2HG2 VAL 78 2HG2 VAL 78 -18.381 2.247 0.406 1325 3HG2 VAL 78 3HG2 VAL 78 -17.132 1.220 1.110 1326 H GLY 79 HN GLY 79 -15.442 6.035 -0.275 1327 1HA GLY 79 2HA GLY 79 -14.508 7.884 0.929 1328 2HA GLY 79 1HA GLY 79 -13.567 6.747 1.897 1329 H ASP 80 HN ASP 80 -13.015 5.383 -0.854 1330 HA ASP 80 HA ASP 80 -10.638 7.054 -1.535 1331 1HB ASP 80 2HB ASP 80 -10.694 4.498 -0.987 1332 2HB ASP 80 1HB ASP 80 -11.337 4.326 -2.617 1333 H TRP 81 HN TRP 81 -10.190 7.124 -3.987 1334 HA TRP 81 HA TRP 81 -12.776 7.444 -5.485 1335 1HB TRP 81 2HB TRP 81 -10.166 8.976 -5.521 1336 2HB TRP 81 1HB TRP 81 -11.353 9.126 -6.813 1337 HD1 TRP 81 HD1 TRP 81 -11.692 9.047 -2.948 1338 HE1 TRP 81 HE1 TRP 81 -13.196 11.009 -2.245 1339 HE3 TRP 81 HE3 TRP 81 -12.583 11.156 -7.515 1340 HZ2 TRP 81 HZ2 TRP 81 -14.588 13.199 -3.450 1341 HZ3 TRP 81 HZ3 TRP 81 -14.002 13.181 -7.709 1342 HH2 TRP 81 HH2 TRP 81 -15.004 14.204 -5.682 1343 H VAL 82 HN VAL 82 -12.471 7.113 -7.886 1344 HA VAL 82 HA VAL 82 -10.396 5.025 -8.461 1345 HB VAL 82 HB VAL 82 -12.430 3.853 -8.192 1346 1HG1 VAL 82 1HG1 VAL 82 -14.195 5.294 -7.951 1347 2HG1 VAL 82 2HG1 VAL 82 -14.452 4.922 -9.656 1348 3HG1 VAL 82 3HG1 VAL 82 -13.589 6.390 -9.194 1349 1HG2 VAL 82 1HG2 VAL 82 -12.800 4.501 -11.088 1350 2HG2 VAL 82 2HG2 VAL 82 -12.817 2.929 -10.284 1351 3HG2 VAL 82 3HG2 VAL 82 -11.285 3.752 -10.577 1352 H ASN 83 HN ASN 83 -9.812 4.889 -10.715 1353 HA ASN 83 HA ASN 83 -10.016 7.409 -12.245 1354 1HB ASN 83 2HB ASN 83 -8.375 4.991 -12.079 1355 2HB ASN 83 1HB ASN 83 -8.760 5.405 -13.737 1356 1HD2 ASN 83 1HD2 ASN 83 -6.354 5.953 -13.875 1357 2HD2 ASN 83 2HD2 ASN 83 -5.847 7.480 -13.336 1358 H VAL 84 HN VAL 84 -12.106 7.564 -13.110 1359 HA VAL 84 HA VAL 84 -13.272 5.068 -14.253 1360 HB VAL 84 HB VAL 84 -15.368 6.720 -14.216 1361 1HG1 VAL 84 1HG1 VAL 84 -14.930 4.562 -12.975 1362 2HG1 VAL 84 2HG1 VAL 84 -15.955 5.720 -12.122 1363 3HG1 VAL 84 3HG1 VAL 84 -14.260 5.534 -11.661 1364 1HG2 VAL 84 1HG2 VAL 84 -13.990 8.675 -13.470 1365 2HG2 VAL 84 2HG2 VAL 84 -13.602 7.795 -11.992 1366 3HG2 VAL 84 3HG2 VAL 84 -15.269 8.264 -12.327 1367 H GLU 85 HN GLU 85 -13.878 4.905 -16.343 1368 HA GLU 85 HA GLU 85 -13.603 7.305 -18.119 1369 1HB GLU 85 2HB GLU 85 -11.485 5.961 -17.984 1370 2HB GLU 85 1HB GLU 85 -12.379 4.566 -18.589 1371 1HG GLU 85 2HG GLU 85 -12.920 5.767 -20.652 1372 2HG GLU 85 1HG GLU 85 -12.112 7.213 -20.045 1373 H ARG 86 HN ARG 86 -15.158 7.323 -19.755 1374 HA ARG 86 HA ARG 86 -17.406 5.549 -19.453 1375 1HB ARG 86 2HB ARG 86 -18.361 6.925 -21.194 1376 2HB ARG 86 1HB ARG 86 -17.363 7.976 -20.188 1377 1HG ARG 86 2HG ARG 86 -15.502 7.739 -21.807 1378 2HG ARG 86 1HG ARG 86 -16.527 6.725 -22.822 1379 1HD ARG 86 2HD ARG 86 -18.163 8.628 -22.986 1380 2HD ARG 86 1HD ARG 86 -16.993 9.644 -22.120 1381 HE ARG 86 HE ARG 86 -15.679 8.303 -24.291 1382 1HH1 ARG 86 1HH1 ARG 86 -17.937 10.817 -23.564 1383 2HH1 ARG 86 2HH1 ARG 86 -17.556 11.742 -24.978 1384 1HH2 ARG 86 1HH2 ARG 86 -15.176 9.503 -26.135 1385 2HH2 ARG 86 2HH2 ARG 86 -15.996 11.000 -26.430 1386 H ALA 87 HN ALA 87 -17.982 3.742 -20.624 1387 HA ALA 87 HA ALA 87 -16.388 3.083 -23.076 1388 1HB ALA 87 1HB ALA 87 -17.464 0.897 -21.370 1389 2HB ALA 87 2HB ALA 87 -16.068 1.776 -20.748 1390 3HB ALA 87 3HB ALA 87 -15.976 0.958 -22.309 1391 H ALA 88 HN ALA 88 -17.616 2.257 -24.755 1392 HA ALA 88 HA ALA 88 -20.588 2.166 -24.321 1393 1HB ALA 88 1HB ALA 88 -19.735 3.165 -26.904 1394 2HB ALA 88 2HB ALA 88 -18.969 4.074 -25.603 1395 3HB ALA 88 3HB ALA 88 -20.729 3.963 -25.685 1396 H LYS 89 HN LYS 89 -21.742 0.748 -25.676 1397 HA LYS 89 HA LYS 89 -20.477 -1.599 -26.745 1398 1HB LYS 89 2HB LYS 89 -23.149 -0.224 -27.159 1399 2HB LYS 89 1HB LYS 89 -22.777 -1.819 -27.814 1400 1HG LYS 89 2HG LYS 89 -22.908 -2.830 -25.775 1401 2HG LYS 89 1HG LYS 89 -22.149 -1.470 -24.946 1402 1HD LYS 89 2HD LYS 89 -24.431 -1.567 -24.187 1403 2HD LYS 89 1HD LYS 89 -24.307 -0.188 -25.279 1404 1HE LYS 89 2HE LYS 89 -25.225 -1.543 -27.125 1405 2HE LYS 89 1HE LYS 89 -25.334 -2.947 -26.043 1406 1HZ LYS 89 1HZ LYS 89 -26.523 -0.356 -25.281 1407 2HZ LYS 89 2HZ LYS 89 -26.900 -1.909 -24.706 1408 3HZ LYS 89 3HZ LYS 89 -27.384 -1.435 -26.264 1409 H PHE 90 HN PHE 90 -21.567 1.457 -28.220 1410 HA PHE 90 HA PHE 90 -19.832 0.892 -30.578 1411 1HB PHE 90 2HB PHE 90 -21.741 1.436 -32.062 1412 2HB PHE 90 1HB PHE 90 -22.103 0.039 -31.049 1413 HD1 PHE 90 HD1 PHE 90 -23.692 0.190 -29.196 1414 HD2 PHE 90 HD2 PHE 90 -22.808 3.605 -31.655 1415 HE1 PHE 90 HE1 PHE 90 -25.666 1.372 -28.266 1416 HE2 PHE 90 HE2 PHE 90 -24.784 4.786 -30.724 1417 HZ PHE 90 HZ PHE 90 -26.213 3.669 -29.029 1418 H SER 91 HN SER 91 -19.393 2.876 -31.826 1419 HA SER 91 HA SER 91 -20.105 5.415 -30.404 1420 1HB SER 91 2HB SER 91 -17.416 4.420 -31.375 1421 2HB SER 91 1HB SER 91 -17.712 6.095 -30.924 1422 HG SER 91 HG SER 91 -16.952 4.991 -29.134 1423 H ASP 92 HN ASP 92 -20.493 7.167 -31.805 1424 HA ASP 92 HA ASP 92 -21.137 6.592 -34.560 1425 1HB ASP 92 2HB ASP 92 -20.837 9.118 -32.913 1426 2HB ASP 92 1HB ASP 92 -21.429 9.123 -34.574 1427 H GLU 93 HN GLU 93 -18.440 8.419 -33.034 1428 HA GLU 93 HA GLU 93 -16.878 8.027 -35.546 1429 1HB GLU 93 2HB GLU 93 -17.594 10.644 -34.197 1430 2HB GLU 93 1HB GLU 93 -16.361 10.503 -35.451 1431 1HG GLU 93 2HG GLU 93 -19.276 9.722 -35.758 1432 2HG GLU 93 1HG GLU 93 -18.531 11.179 -36.416 1433 H ILE 94 HN ILE 94 -16.268 6.639 -33.273 1434 HA ILE 94 HA ILE 94 -13.964 8.129 -32.068 1435 HB ILE 94 HB ILE 94 -15.422 5.596 -31.251 1436 1HG1 ILE 94 2HG1 ILE 94 -16.724 7.669 -30.933 1437 2HG1 ILE 94 1HG1 ILE 94 -16.219 7.009 -29.376 1438 1HG2 ILE 94 1HG2 ILE 94 -13.980 5.422 -29.417 1439 2HG2 ILE 94 2HG2 ILE 94 -13.461 7.103 -29.539 1440 3HG2 ILE 94 3HG2 ILE 94 -12.876 5.911 -30.701 1441 1HD1 ILE 94 1HD1 ILE 94 -15.233 8.976 -28.910 1442 2HD1 ILE 94 2HD1 ILE 94 -15.623 9.585 -30.518 1443 3HD1 ILE 94 3HD1 ILE 94 -14.121 8.701 -30.252 1444 H GLY 95 HN GLY 95 -14.771 4.819 -33.197 1445 1HA GLY 95 2HA GLY 95 -13.324 3.166 -34.094 1446 2HA GLY 95 1HA GLY 95 -12.975 4.475 -35.224 1447 H GLY 96 HN GLY 96 -12.029 3.388 -31.943 1448 1HA GLY 96 2HA GLY 96 -9.292 3.130 -32.402 1449 2HA GLY 96 1HA GLY 96 -9.524 4.837 -32.024 1450 H HIS 97 HN HIS 97 -8.341 4.580 -30.033 1451 HA HIS 97 HA HIS 97 -10.011 3.437 -27.844 1452 1HB HIS 97 2HB HIS 97 -8.399 1.717 -28.640 1453 2HB HIS 97 1HB HIS 97 -7.074 2.840 -28.331 1454 HD1 HIS 97 HD1 HIS 97 -9.898 1.110 -26.448 1455 HD2 HIS 97 HD2 HIS 97 -6.157 2.796 -25.712 1456 HE1 HIS 97 HE1 HIS 97 -9.362 0.631 -24.019 1457 HN3 RBF 98 HN3 RBF 98 4.700 6.659 -13.444 1458 HC6 RBF 98 HC6 RBF 98 3.918 5.277 -20.219 1459 1HC7 RBF 98 1HC7 RBF 98 3.319 4.939 -22.436 1460 2HC7 RBF 98 2HC7 RBF 98 2.373 6.275 -23.130 1461 3HC7 RBF 98 3HC7 RBF 98 1.582 4.732 -22.745 1462 1HC8 RBF 98 1HC8 RBF 98 -0.391 7.823 -22.026 1463 2HC8 RBF 98 2HC8 RBF 98 -1.100 6.239 -21.645 1464 3HC8 RBF 98 3HC8 RBF 98 0.223 6.359 -22.822 1465 HC9 RBF 98 HC9 RBF 98 -0.403 7.540 -19.293 1466 1HC1 RBF 98 1HC1 RBF 98 -0.156 8.111 -15.776 1467 2HC1 RBF 98 2HC1 RBF 98 -0.893 7.347 -17.197 1468 HC2* RBF 98 HC2* RBF 98 -0.675 9.229 -18.498 1469 HO2* RBF 98 HO2* RBF 98 1.551 9.449 -18.524 1470 HC3* RBF 98 HC3* RBF 98 -0.448 10.423 -15.702 1471 HO3* RBF 98 HO3* RBF 98 -2.585 10.022 -15.533 1472 HC4* RBF 98 HC4* RBF 98 -2.160 11.963 -17.296 1473 HO4* RBF 98 HO4* RBF 98 -0.246 12.371 -18.967 1474 1HC5 RBF 98 1HC5 RBF 98 -0.685 12.893 -15.635 1475 2HC5 RBF 98 2HC5 RBF 98 0.751 12.288 -16.484 1476 HO5* RBF 98 HO5* RBF 98 0.602 13.905 -17.917 1477 HN3 RBF 99 HN3 RBF 99 -19.231 -6.517 -12.460 1478 HC6 RBF 99 HC6 RBF 99 -18.686 -5.752 -19.354 1479 1HC7 RBF 99 1HC7 RBF 99 -18.163 -5.617 -21.613 1480 2HC7 RBF 99 2HC7 RBF 99 -17.235 -7.009 -22.214 1481 3HC7 RBF 99 3HC7 RBF 99 -16.438 -5.435 -21.998 1482 1HC8 RBF 99 1HC8 RBF 99 -14.428 -8.444 -21.069 1483 2HC8 RBF 99 2HC8 RBF 99 -13.713 -6.831 -20.858 1484 3HC8 RBF 99 3HC8 RBF 99 -15.076 -7.060 -21.974 1485 HC9 RBF 99 HC9 RBF 99 -14.323 -7.913 -18.376 1486 1HC1 RBF 99 1HC1 RBF 99 -14.449 -8.164 -14.815 1487 2HC1 RBF 99 2HC1 RBF 99 -13.765 -7.532 -16.324 1488 HC2* RBF 99 HC2* RBF 99 -14.022 -9.525 -17.439 1489 HO2* RBF 99 HO2* RBF 99 -16.243 -9.750 -17.369 1490 HC3* RBF 99 HC3* RBF 99 -14.144 -10.459 -14.542 1491 HO3* RBF 99 HO3* RBF 99 -12.005 -10.042 -14.482 1492 HC4* RBF 99 HC4* RBF 99 -12.480 -12.135 -16.047 1493 HO4* RBF 99 HO4* RBF 99 -14.448 -12.696 -17.607 1494 1HC5 RBF 99 1HC5 RBF 99 -13.894 -12.913 -14.258 1495 2HC5 RBF 99 2HC5 RBF 99 -15.362 -12.391 -15.111 1496 HO5* RBF 99 HO5* RBF 99 -15.253 -14.130 -16.393 Start of MODEL 11 1 1H MET 1 1HT MET 1 -16.647 -1.759 -29.397 2 2H MET 1 2HT MET 1 -15.118 -1.198 -29.879 3 3H MET 1 3HT MET 1 -15.808 -0.649 -28.427 4 HA MET 1 HA MET 1 -15.813 -3.247 -27.916 5 1HB MET 1 2HB MET 1 -13.636 -2.634 -29.933 6 2HB MET 1 1HB MET 1 -13.612 -4.065 -28.902 7 1HG MET 1 2HG MET 1 -15.802 -4.757 -29.804 8 2HG MET 1 1HG MET 1 -15.828 -3.329 -30.837 9 1HE MET 1 1HE MET 1 -12.860 -6.832 -31.059 10 2HE MET 1 2HE MET 1 -14.300 -6.760 -30.046 11 3HE MET 1 3HE MET 1 -12.945 -5.684 -29.716 12 H PHE 2 HN PHE 2 -14.689 -3.508 -25.984 13 HA PHE 2 HA PHE 2 -12.201 -2.201 -25.400 14 1HB PHE 2 2HB PHE 2 -13.013 -0.608 -23.735 15 2HB PHE 2 1HB PHE 2 -13.810 -0.271 -25.268 16 HD1 PHE 2 HD1 PHE 2 -16.140 0.009 -25.264 17 HD2 PHE 2 HD2 PHE 2 -14.308 -2.358 -22.164 18 HE1 PHE 2 HE1 PHE 2 -18.343 -0.298 -24.164 19 HE2 PHE 2 HE2 PHE 2 -16.518 -2.666 -21.097 20 HZ PHE 2 HZ PHE 2 -18.533 -1.643 -22.105 21 H THR 3 HN THR 3 -11.436 -2.932 -23.263 22 HA THR 3 HA THR 3 -13.286 -4.579 -21.686 23 HB THR 3 HB THR 3 -11.873 -6.578 -21.918 24 HG1 THR 3 HG1 THR 3 -10.386 -5.103 -23.818 25 1HG2 THR 3 1HG2 THR 3 -12.423 -5.436 -24.673 26 2HG2 THR 3 2HG2 THR 3 -13.679 -6.074 -23.615 27 3HG2 THR 3 3HG2 THR 3 -12.398 -7.135 -24.200 28 H GLY 4 HN GLY 4 -9.965 -3.439 -22.242 29 1HA GLY 4 2HA GLY 4 -8.255 -2.932 -20.717 30 2HA GLY 4 1HA GLY 4 -9.546 -2.221 -19.743 31 H ILE 5 HN ILE 5 -9.745 -5.584 -20.613 32 HA ILE 5 HA ILE 5 -9.794 -6.285 -17.762 33 HB ILE 5 HB ILE 5 -9.952 -7.970 -20.287 34 1HG1 ILE 5 2HG1 ILE 5 -12.143 -6.819 -18.530 35 2HG1 ILE 5 1HG1 ILE 5 -11.690 -6.196 -20.114 36 1HG2 ILE 5 1HG2 ILE 5 -11.305 -9.432 -18.600 37 2HG2 ILE 5 2HG2 ILE 5 -10.435 -8.524 -17.363 38 3HG2 ILE 5 3HG2 ILE 5 -9.543 -9.491 -18.538 39 1HD1 ILE 5 1HD1 ILE 5 -13.374 -8.469 -19.458 40 2HD1 ILE 5 2HD1 ILE 5 -12.042 -8.945 -20.513 41 3HD1 ILE 5 3HD1 ILE 5 -13.147 -7.663 -21.011 42 H VAL 6 HN VAL 6 -7.970 -6.729 -16.645 43 HA VAL 6 HA VAL 6 -5.413 -6.965 -17.949 44 HB VAL 6 HB VAL 6 -6.522 -7.031 -15.159 45 1HG1 VAL 6 1HG1 VAL 6 -3.662 -7.664 -15.937 46 2HG1 VAL 6 2HG1 VAL 6 -4.770 -8.729 -15.076 47 3HG1 VAL 6 3HG1 VAL 6 -4.182 -7.259 -14.303 48 1HG2 VAL 6 1HG2 VAL 6 -5.395 -5.127 -16.949 49 2HG2 VAL 6 2HG2 VAL 6 -4.264 -5.322 -15.611 50 3HG2 VAL 6 3HG2 VAL 6 -5.937 -4.861 -15.291 51 H GLN 7 HN GLN 7 -4.013 -8.767 -18.030 52 HA GLN 7 HA GLN 7 -5.384 -11.405 -17.941 53 1HB GLN 7 2HB GLN 7 -2.817 -10.349 -19.160 54 2HB GLN 7 1HB GLN 7 -3.303 -12.044 -19.247 55 1HG GLN 7 2HG GLN 7 -5.052 -9.760 -20.198 56 2HG GLN 7 1HG GLN 7 -3.970 -10.663 -21.259 57 1HE2 GLN 7 1HE2 GLN 7 -4.285 -13.271 -20.644 58 2HE2 GLN 7 2HE2 GLN 7 -5.909 -13.759 -20.734 59 H GLY 8 HN GLY 8 -3.079 -9.524 -16.108 60 1HA GLY 8 2HA GLY 8 -2.475 -11.976 -14.513 61 2HA GLY 8 1HA GLY 8 -1.143 -10.967 -15.077 62 H THR 9 HN THR 9 -1.517 -11.351 -12.339 63 HA THR 9 HA THR 9 -2.491 -8.640 -11.501 64 HB THR 9 HB THR 9 -2.786 -10.105 -9.263 65 HG1 THR 9 HG1 THR 9 -3.820 -12.097 -10.517 66 1HG2 THR 9 1HG2 THR 9 -5.147 -10.334 -9.873 67 2HG2 THR 9 2HG2 THR 9 -4.746 -10.123 -11.577 68 3HG2 THR 9 3HG2 THR 9 -4.530 -8.783 -10.447 69 H ALA 10 HN ALA 10 -1.443 -7.985 -9.365 70 HA ALA 10 HA ALA 10 1.376 -8.971 -9.101 71 1HB ALA 10 1HB ALA 10 0.374 -6.506 -10.285 72 2HB ALA 10 2HB ALA 10 2.033 -7.107 -10.211 73 3HB ALA 10 3HB ALA 10 1.382 -6.158 -8.877 74 H LYS 11 HN LYS 11 2.224 -8.625 -6.999 75 HA LYS 11 HA LYS 11 0.173 -7.799 -4.966 76 1HB LYS 11 2HB LYS 11 0.946 -10.098 -4.798 77 2HB LYS 11 1HB LYS 11 2.623 -9.567 -4.838 78 1HG LYS 11 2HG LYS 11 2.350 -8.373 -2.733 79 2HG LYS 11 1HG LYS 11 0.633 -8.776 -2.700 80 1HD LYS 11 2HD LYS 11 1.009 -10.929 -2.043 81 2HD LYS 11 1HD LYS 11 2.498 -11.065 -2.983 82 1HE LYS 11 2HE LYS 11 3.538 -9.437 -1.272 83 2HE LYS 11 1HE LYS 11 2.121 -9.792 -0.262 84 1HZ LYS 11 1HZ LYS 11 2.653 -12.225 -0.864 85 2HZ LYS 11 2HZ LYS 11 3.591 -11.463 0.330 86 3HZ LYS 11 3HZ LYS 11 4.200 -11.642 -1.246 87 H LEU 12 HN LEU 12 0.557 -5.712 -4.313 88 HA LEU 12 HA LEU 12 3.038 -4.293 -4.510 89 1HB LEU 12 2HB LEU 12 0.532 -3.581 -4.035 90 2HB LEU 12 1HB LEU 12 0.980 -3.839 -2.365 91 HG LEU 12 HG LEU 12 2.751 -2.199 -2.513 92 1HD1 LEU 12 1HD1 LEU 12 2.440 -2.737 -5.361 93 2HD1 LEU 12 2HD1 LEU 12 3.804 -2.017 -4.505 94 3HD1 LEU 12 3HD1 LEU 12 2.456 -1.006 -5.027 95 1HD2 LEU 12 1HD2 LEU 12 1.011 -0.432 -3.906 96 2HD2 LEU 12 2HD2 LEU 12 1.157 -0.641 -2.163 97 3HD2 LEU 12 3HD2 LEU 12 -0.013 -1.600 -3.072 98 H VAL 13 HN VAL 13 4.833 -4.544 -3.280 99 HA VAL 13 HA VAL 13 4.549 -5.916 -0.634 100 HB VAL 13 HB VAL 13 5.444 -7.506 -2.118 101 1HG1 VAL 13 1HG1 VAL 13 6.112 -6.751 -4.127 102 2HG1 VAL 13 2HG1 VAL 13 7.686 -6.493 -3.369 103 3HG1 VAL 13 3HG1 VAL 13 6.533 -5.165 -3.474 104 1HG2 VAL 13 1HG2 VAL 13 6.791 -7.298 -0.077 105 2HG2 VAL 13 2HG2 VAL 13 7.798 -6.079 -0.858 106 3HG2 VAL 13 3HG2 VAL 13 7.816 -7.744 -1.440 107 H SER 14 HN SER 14 6.219 -3.534 -2.610 108 HA SER 14 HA SER 14 7.262 -2.297 -0.080 109 1HB SER 14 2HB SER 14 8.775 -3.935 -1.595 110 2HB SER 14 1HB SER 14 9.067 -2.418 -2.438 111 HG SER 14 HG SER 14 9.584 -1.525 -0.346 112 H ILE 15 HN ILE 15 7.334 -0.047 -0.161 113 HA ILE 15 HA ILE 15 6.632 1.248 -2.779 114 HB ILE 15 HB ILE 15 6.367 2.405 0.005 115 1HG1 ILE 15 2HG1 ILE 15 4.422 0.795 -1.659 116 2HG1 ILE 15 1HG1 ILE 15 5.020 0.433 -0.041 117 1HG2 ILE 15 1HG2 ILE 15 5.315 3.128 -2.740 118 2HG2 ILE 15 2HG2 ILE 15 6.321 4.107 -1.673 119 3HG2 ILE 15 3HG2 ILE 15 4.632 3.801 -1.260 120 1HD1 ILE 15 1HD1 ILE 15 3.183 2.701 -0.845 121 2HD1 ILE 15 2HD1 ILE 15 3.942 2.585 0.741 122 3HD1 ILE 15 3HD1 ILE 15 2.803 1.345 0.215 123 H ASP 16 HN ASP 16 8.146 2.580 -3.633 124 HA ASP 16 HA ASP 16 10.498 3.343 -1.957 125 1HB ASP 16 2HB ASP 16 10.058 2.822 -4.894 126 2HB ASP 16 1HB ASP 16 11.496 3.667 -4.319 127 H GLU 17 HN GLU 17 10.263 5.445 -1.261 128 HA GLU 17 HA GLU 17 8.690 7.328 -2.954 129 1HB GLU 17 2HB GLU 17 9.603 7.276 -0.066 130 2HB GLU 17 1HB GLU 17 8.761 8.652 -0.778 131 1HG GLU 17 2HG GLU 17 6.867 7.189 -1.378 132 2HG GLU 17 1HG GLU 17 7.706 5.811 -0.663 133 H LYS 18 HN LYS 18 10.017 8.408 -4.392 134 HA LYS 18 HA LYS 18 12.689 9.361 -3.448 135 1HB LYS 18 2HB LYS 18 11.556 9.536 -6.245 136 2HB LYS 18 1HB LYS 18 13.246 9.481 -5.752 137 1HG LYS 18 2HG LYS 18 12.074 7.128 -4.726 138 2HG LYS 18 1HG LYS 18 11.474 7.288 -6.378 139 1HD LYS 18 2HD LYS 18 13.643 6.040 -6.235 140 2HD LYS 18 1HD LYS 18 13.739 7.489 -7.235 141 1HE LYS 18 2HE LYS 18 14.311 8.247 -4.530 142 2HE LYS 18 1HE LYS 18 15.326 6.854 -4.952 143 1HZ LYS 18 1HZ LYS 18 15.710 8.029 -7.137 144 2HZ LYS 18 2HZ LYS 18 16.460 8.726 -5.782 145 3HZ LYS 18 3HZ LYS 18 15.044 9.413 -6.419 146 HA PRO 19 HA PRO 19 10.987 13.358 -2.709 147 1HB PRO 19 2HB PRO 19 13.333 14.754 -3.416 148 2HB PRO 19 1HB PRO 19 12.911 14.166 -1.797 149 1HG PRO 19 2HG PRO 19 14.717 12.987 -3.824 150 2HG PRO 19 1HG PRO 19 14.799 12.921 -2.056 151 1HD PRO 19 2HD PRO 19 14.025 10.808 -3.546 152 2HD PRO 19 1HD PRO 19 13.362 11.124 -1.924 153 H ASN 20 HN ASN 20 12.310 12.300 -5.731 154 HA ASN 20 HA ASN 20 11.282 14.725 -7.146 155 1HB ASN 20 2HB ASN 20 12.790 12.374 -8.311 156 2HB ASN 20 1HB ASN 20 12.720 14.030 -8.914 157 1HD2 ASN 20 1HD2 ASN 20 14.298 11.897 -6.623 158 2HD2 ASN 20 2HD2 ASN 20 15.418 13.029 -6.043 159 H PHE 21 HN PHE 21 10.732 11.301 -6.675 160 HA PHE 21 HA PHE 21 8.158 11.470 -8.122 161 1HB PHE 21 2HB PHE 21 10.405 9.595 -8.939 162 2HB PHE 21 1HB PHE 21 8.799 9.656 -9.666 163 HD1 PHE 21 HD1 PHE 21 12.110 11.128 -9.577 164 HD2 PHE 21 HD2 PHE 21 8.053 11.770 -10.846 165 HE1 PHE 21 HE1 PHE 21 12.873 12.928 -11.106 166 HE2 PHE 21 HE2 PHE 21 8.816 13.571 -12.374 167 HZ PHE 21 HZ PHE 21 11.227 14.149 -12.505 168 H ARG 22 HN ARG 22 6.747 9.720 -7.495 169 HA ARG 22 HA ARG 22 7.692 8.160 -5.148 170 1HB ARG 22 2HB ARG 22 5.552 9.380 -5.035 171 2HB ARG 22 1HB ARG 22 4.964 8.470 -6.422 172 1HG ARG 22 2HG ARG 22 5.203 6.369 -5.157 173 2HG ARG 22 1HG ARG 22 5.791 7.278 -3.763 174 1HD ARG 22 2HD ARG 22 3.645 8.504 -3.647 175 2HD ARG 22 1HD ARG 22 3.048 7.583 -5.042 176 HE ARG 22 HE ARG 22 3.876 5.592 -3.356 177 1HH1 ARG 22 1HH1 ARG 22 1.915 8.412 -2.950 178 2HH1 ARG 22 2HH1 ARG 22 0.957 7.717 -1.687 179 1HH2 ARG 22 1HH2 ARG 22 2.627 4.682 -1.709 180 2HH2 ARG 22 2HH2 ARG 22 1.357 5.612 -0.986 181 H THR 23 HN THR 23 7.872 5.965 -5.211 182 HA THR 23 HA THR 23 7.582 4.638 -7.879 183 HB THR 23 HB THR 23 9.762 4.401 -5.777 184 HG1 THR 23 HG1 THR 23 9.408 6.342 -7.337 185 1HG2 THR 23 1HG2 THR 23 10.948 3.240 -7.715 186 2HG2 THR 23 2HG2 THR 23 9.375 3.166 -8.511 187 3HG2 THR 23 3HG2 THR 23 9.626 2.339 -6.973 188 H HIS 24 HN HIS 24 6.731 2.537 -7.805 189 HA HIS 24 HA HIS 24 6.268 1.387 -5.080 190 1HB HIS 24 2HB HIS 24 4.457 2.264 -7.179 191 2HB HIS 24 1HB HIS 24 4.169 0.588 -6.710 192 HD1 HIS 24 HD1 HIS 24 2.889 3.692 -5.834 193 HD2 HIS 24 HD2 HIS 24 4.596 0.673 -3.523 194 HE1 HIS 24 HE1 HIS 24 2.147 4.100 -3.445 195 H VAL 25 HN VAL 25 6.544 -0.842 -4.912 196 HA VAL 25 HA VAL 25 7.376 -2.268 -7.409 197 HB VAL 25 HB VAL 25 8.235 -2.797 -4.563 198 1HG1 VAL 25 1HG1 VAL 25 8.880 -3.912 -7.238 199 2HG1 VAL 25 2HG1 VAL 25 8.854 -4.707 -5.664 200 3HG1 VAL 25 3HG1 VAL 25 10.232 -3.707 -6.125 201 1HG2 VAL 25 1HG2 VAL 25 9.786 -1.154 -4.692 202 2HG2 VAL 25 2HG2 VAL 25 8.871 -0.538 -6.068 203 3HG2 VAL 25 3HG2 VAL 25 10.239 -1.620 -6.331 204 H VAL 26 HN VAL 26 6.302 -4.105 -7.861 205 HA VAL 26 HA VAL 26 4.417 -5.206 -5.805 206 HB VAL 26 HB VAL 26 3.075 -5.874 -7.783 207 1HG1 VAL 26 1HG1 VAL 26 3.735 -3.138 -7.028 208 2HG1 VAL 26 2HG1 VAL 26 2.162 -3.845 -7.395 209 3HG1 VAL 26 3HG1 VAL 26 3.182 -3.238 -8.698 210 1HG2 VAL 26 1HG2 VAL 26 3.883 -5.798 -9.907 211 2HG2 VAL 26 2HG2 VAL 26 5.465 -5.700 -9.135 212 3HG2 VAL 26 3HG2 VAL 26 4.645 -4.228 -9.657 213 H GLU 27 HN GLU 27 3.970 -7.615 -6.261 214 HA GLU 27 HA GLU 27 6.537 -9.027 -6.778 215 1HB GLU 27 2HB GLU 27 4.814 -9.054 -4.691 216 2HB GLU 27 1HB GLU 27 4.099 -10.310 -5.693 217 1HG GLU 27 2HG GLU 27 6.038 -11.649 -5.614 218 2HG GLU 27 1HG GLU 27 7.044 -10.308 -5.070 219 H LEU 28 HN LEU 28 6.655 -9.816 -8.831 220 HA LEU 28 HA LEU 28 4.309 -10.004 -10.509 221 1HB LEU 28 2HB LEU 28 6.904 -9.432 -10.847 222 2HB LEU 28 1HB LEU 28 6.967 -11.147 -11.235 223 HG LEU 28 HG LEU 28 5.283 -10.865 -12.971 224 1HD1 LEU 28 1HD1 LEU 28 3.752 -9.234 -12.665 225 2HD1 LEU 28 2HD1 LEU 28 4.975 -8.089 -13.217 226 3HD1 LEU 28 3HD1 LEU 28 4.782 -8.412 -11.494 227 1HD2 LEU 28 1HD2 LEU 28 7.381 -8.674 -13.111 228 2HD2 LEU 28 2HD2 LEU 28 6.500 -9.333 -14.489 229 3HD2 LEU 28 3HD2 LEU 28 7.621 -10.354 -13.590 230 HA PRO 29 HA PRO 29 3.383 -14.180 -9.221 231 1HB PRO 29 2HB PRO 29 1.473 -14.601 -11.162 232 2HB PRO 29 1HB PRO 29 1.165 -13.804 -9.612 233 1HG PRO 29 2HG PRO 29 1.602 -12.612 -12.297 234 2HG PRO 29 1HG PRO 29 0.530 -12.091 -10.988 235 1HD PRO 29 2HD PRO 29 2.872 -10.859 -11.537 236 2HD PRO 29 1HD PRO 29 2.199 -10.955 -9.894 237 H ASP 30 HN ASP 30 3.044 -16.318 -10.580 238 HA ASP 30 HA ASP 30 5.490 -16.897 -11.863 239 1HB ASP 30 2HB ASP 30 2.767 -18.220 -11.876 240 2HB ASP 30 1HB ASP 30 4.205 -18.988 -12.548 241 H HIS 31 HN HIS 31 2.319 -16.098 -13.329 242 HA HIS 31 HA HIS 31 3.446 -16.514 -16.019 243 1HB HIS 31 2HB HIS 31 1.144 -16.171 -16.733 244 2HB HIS 31 1HB HIS 31 1.164 -17.245 -15.341 245 HD1 HIS 31 HD1 HIS 31 1.779 -14.336 -13.626 246 HD2 HIS 31 HD2 HIS 31 -1.580 -15.612 -15.736 247 HE1 HIS 31 HE1 HIS 31 -0.186 -13.008 -12.729 248 H MET 32 HN MET 32 3.613 -13.993 -13.887 249 HA MET 32 HA MET 32 3.694 -11.980 -16.112 250 1HB MET 32 2HB MET 32 3.358 -11.739 -13.111 251 2HB MET 32 1HB MET 32 3.650 -10.350 -14.158 252 1HG MET 32 2HG MET 32 1.343 -12.295 -14.447 253 2HG MET 32 1HG MET 32 1.228 -10.683 -13.739 254 1HE MET 32 1HE MET 32 1.386 -8.525 -14.902 255 2HE MET 32 2HE MET 32 1.890 -8.258 -16.569 256 3HE MET 32 3HE MET 32 3.050 -8.870 -15.391 257 H LEU 33 HN LEU 33 5.547 -13.893 -13.968 258 HA LEU 33 HA LEU 33 7.866 -12.198 -13.646 259 1HB LEU 33 2HB LEU 33 7.194 -15.120 -13.424 260 2HB LEU 33 1HB LEU 33 8.876 -14.601 -13.303 261 HG LEU 33 HG LEU 33 6.691 -13.320 -11.644 262 1HD1 LEU 33 1HD1 LEU 33 8.200 -14.995 -9.990 263 2HD1 LEU 33 2HD1 LEU 33 7.857 -15.983 -11.409 264 3HD1 LEU 33 3HD1 LEU 33 6.532 -15.260 -10.496 265 1HD2 LEU 33 1HD2 LEU 33 9.192 -12.472 -12.120 266 2HD2 LEU 33 2HD2 LEU 33 9.544 -13.611 -10.820 267 3HD2 LEU 33 3HD2 LEU 33 8.425 -12.277 -10.544 268 H ASP 34 HN ASP 34 6.771 -14.431 -16.147 269 HA ASP 34 HA ASP 34 9.361 -14.262 -17.577 270 1HB ASP 34 2HB ASP 34 8.123 -16.391 -17.307 271 2HB ASP 34 1HB ASP 34 6.751 -15.695 -18.170 272 H GLY 35 HN GLY 35 9.677 -12.666 -19.076 273 1HA GLY 35 2HA GLY 35 8.935 -11.729 -21.235 274 2HA GLY 35 1HA GLY 35 7.294 -11.690 -20.591 275 H LEU 36 HN LEU 36 7.564 -10.462 -18.167 276 HA LEU 36 HA LEU 36 7.794 -7.708 -18.913 277 1HB LEU 36 2HB LEU 36 6.438 -8.870 -17.054 278 2HB LEU 36 1HB LEU 36 7.925 -8.824 -16.105 279 HG LEU 36 HG LEU 36 6.940 -6.316 -17.434 280 1HD1 LEU 36 1HD1 LEU 36 5.676 -7.773 -15.184 281 2HD1 LEU 36 2HD1 LEU 36 4.988 -6.569 -16.274 282 3HD1 LEU 36 3HD1 LEU 36 5.973 -6.057 -14.903 283 1HD2 LEU 36 1HD2 LEU 36 8.591 -5.386 -16.206 284 2HD2 LEU 36 2HD2 LEU 36 9.106 -7.020 -15.789 285 3HD2 LEU 36 3HD2 LEU 36 7.997 -6.147 -14.731 286 H GLU 37 HN GLU 37 9.475 -6.252 -18.653 287 HA GLU 37 HA GLU 37 11.863 -7.027 -17.079 288 1HB GLU 37 2HB GLU 37 13.330 -6.539 -19.019 289 2HB GLU 37 1HB GLU 37 12.230 -7.871 -19.376 290 1HG GLU 37 2HG GLU 37 10.709 -6.309 -20.532 291 2HG GLU 37 1HG GLU 37 11.810 -4.977 -20.181 292 H THR 38 HN THR 38 13.370 -5.052 -16.938 293 HA THR 38 HA THR 38 11.879 -2.813 -16.025 294 HB THR 38 HB THR 38 14.434 -1.902 -16.512 295 HG1 THR 38 HG1 THR 38 15.471 -4.046 -15.733 296 1HG2 THR 38 1HG2 THR 38 13.697 -1.680 -14.342 297 2HG2 THR 38 2HG2 THR 38 14.805 -3.039 -14.149 298 3HG2 THR 38 3HG2 THR 38 13.070 -3.327 -14.279 299 H GLY 39 HN GLY 39 11.652 -0.684 -16.939 300 1HA GLY 39 2HA GLY 39 11.430 0.899 -18.674 301 2HA GLY 39 1HA GLY 39 12.439 -0.120 -19.694 302 H ALA 40 HN ALA 40 10.174 -2.141 -18.422 303 HA ALA 40 HA ALA 40 8.562 -2.211 -20.877 304 1HB ALA 40 1HB ALA 40 9.220 -4.261 -19.756 305 2HB ALA 40 2HB ALA 40 7.477 -4.084 -19.553 306 3HB ALA 40 3HB ALA 40 8.567 -3.680 -18.222 307 H SER 41 HN SER 41 6.151 -1.946 -20.775 308 HA SER 41 HA SER 41 5.390 0.048 -18.672 309 1HB SER 41 2HB SER 41 3.381 0.111 -20.456 310 2HB SER 41 1HB SER 41 4.873 1.012 -20.697 311 HG SER 41 HG SER 41 4.510 -1.649 -21.566 312 H VAL 42 HN VAL 42 4.305 -0.837 -16.995 313 HA VAL 42 HA VAL 42 2.506 -3.171 -17.469 314 HB VAL 42 HB VAL 42 4.153 -2.122 -15.215 315 1HG1 VAL 42 1HG1 VAL 42 2.293 -1.923 -13.900 316 2HG1 VAL 42 2HG1 VAL 42 2.566 -3.658 -13.734 317 3HG1 VAL 42 3HG1 VAL 42 1.352 -3.058 -14.867 318 1HG2 VAL 42 1HG2 VAL 42 5.023 -4.144 -15.735 319 2HG2 VAL 42 2HG2 VAL 42 3.566 -4.627 -16.607 320 3HG2 VAL 42 3HG2 VAL 42 3.642 -4.802 -14.854 321 H ALA 43 HN ALA 43 0.346 -2.715 -17.518 322 HA ALA 43 HA ALA 43 -0.599 -0.044 -16.609 323 1HB ALA 43 1HB ALA 43 -2.511 -0.516 -17.922 324 2HB ALA 43 2HB ALA 43 -2.234 -2.256 -17.852 325 3HB ALA 43 3HB ALA 43 -1.191 -1.236 -18.844 326 H HIS 44 HN HIS 44 -1.260 0.051 -14.506 327 HA HIS 44 HA HIS 44 -1.915 -2.431 -13.042 328 1HB HIS 44 2HB HIS 44 -1.364 0.454 -12.437 329 2HB HIS 44 1HB HIS 44 -2.258 -0.486 -11.244 330 HD1 HIS 44 HD1 HIS 44 0.502 -1.967 -13.400 331 HD2 HIS 44 HD2 HIS 44 -0.132 -0.789 -9.439 332 HE1 HIS 44 HE1 HIS 44 2.493 -2.795 -12.068 333 HE2 HIS 44 HE2 HIS 44 2.117 -2.075 -9.671 334 H ASN 45 HN ASN 45 -3.905 -3.128 -13.648 335 HA ASN 45 HA ASN 45 -6.219 -3.196 -13.979 336 1HB ASN 45 2HB ASN 45 -5.841 -1.789 -11.714 337 2HB ASN 45 1HB ASN 45 -6.593 -0.538 -12.707 338 1HD2 ASN 45 1HD2 ASN 45 -7.188 -3.493 -10.958 339 2HD2 ASN 45 2HD2 ASN 45 -8.826 -3.647 -11.361 340 H GLY 46 HN GLY 46 -4.179 -1.096 -15.484 341 1HA GLY 46 2HA GLY 46 -5.007 -0.728 -17.843 342 2HA GLY 46 1HA GLY 46 -6.400 0.060 -17.106 343 H CYS 47 HN CYS 47 -3.825 0.935 -15.177 344 HA CYS 47 HA CYS 47 -3.470 3.480 -16.710 345 1HB CYS 47 2HB CYS 47 -4.215 3.445 -14.293 346 2HB CYS 47 1HB CYS 47 -2.646 2.758 -13.876 347 HG CYS 47 HG CYS 47 -1.512 4.958 -14.748 348 H CYS 48 HN CYS 48 -1.773 3.251 -18.133 349 HA CYS 48 HA CYS 48 0.266 1.265 -17.791 350 1HB CYS 48 2HB CYS 48 1.177 2.358 -19.847 351 2HB CYS 48 1HB CYS 48 -0.549 2.012 -19.961 352 HG CYS 48 HG CYS 48 0.049 4.840 -18.938 353 H LEU 49 HN LEU 49 2.197 1.397 -16.773 354 HA LEU 49 HA LEU 49 3.588 3.994 -16.593 355 1HB LEU 49 2HB LEU 49 3.987 3.457 -14.102 356 2HB LEU 49 1HB LEU 49 2.368 4.005 -14.539 357 HG LEU 49 HG LEU 49 2.549 1.143 -14.861 358 1HD1 LEU 49 1HD1 LEU 49 3.828 2.335 -12.478 359 2HD1 LEU 49 2HD1 LEU 49 4.026 0.725 -13.177 360 3HD1 LEU 49 3HD1 LEU 49 2.646 1.068 -12.132 361 1HD2 LEU 49 1HD2 LEU 49 0.684 3.068 -14.120 362 2HD2 LEU 49 2HD2 LEU 49 0.962 2.184 -12.620 363 3HD2 LEU 49 3HD2 LEU 49 0.424 1.324 -14.063 364 H THR 50 HN THR 50 5.911 3.669 -16.275 365 HA THR 50 HA THR 50 6.700 1.084 -17.445 366 HB THR 50 HB THR 50 8.209 3.669 -16.952 367 HG1 THR 50 HG1 THR 50 7.792 3.448 -19.438 368 1HG2 THR 50 1HG2 THR 50 9.873 2.034 -17.281 369 2HG2 THR 50 2HG2 THR 50 9.594 2.648 -18.910 370 3HG2 THR 50 3HG2 THR 50 8.877 1.117 -18.411 371 H VAL 51 HN VAL 51 8.631 -0.056 -16.740 372 HA VAL 51 HA VAL 51 8.728 -0.418 -13.839 373 HB VAL 51 HB VAL 51 10.416 -1.660 -16.036 374 1HG1 VAL 51 1HG1 VAL 51 10.033 -2.105 -13.171 375 2HG1 VAL 51 2HG1 VAL 51 11.313 -2.682 -14.238 376 3HG1 VAL 51 3HG1 VAL 51 9.789 -3.564 -14.133 377 1HG2 VAL 51 1HG2 VAL 51 8.401 -2.272 -16.883 378 2HG2 VAL 51 2HG2 VAL 51 7.547 -1.939 -15.376 379 3HG2 VAL 51 3HG2 VAL 51 8.432 -3.452 -15.573 380 H THR 52 HN THR 52 9.991 0.949 -12.632 381 HA THR 52 HA THR 52 12.283 2.409 -13.671 382 HB THR 52 HB THR 52 12.463 3.139 -11.369 383 HG1 THR 52 HG1 THR 52 11.197 2.025 -9.775 384 1HG2 THR 52 1HG2 THR 52 9.518 2.618 -11.755 385 2HG2 THR 52 2HG2 THR 52 10.393 3.761 -12.773 386 3HG2 THR 52 3HG2 THR 52 10.296 4.026 -11.032 387 H GLU 53 HN GLU 53 11.812 -0.548 -11.723 388 HA GLU 53 HA GLU 53 14.393 -1.612 -12.615 389 1HB GLU 53 2HB GLU 53 15.068 0.047 -10.917 390 2HB GLU 53 1HB GLU 53 13.999 -0.719 -9.741 391 1HG GLU 53 2HG GLU 53 15.284 -2.817 -9.935 392 2HG GLU 53 1HG GLU 53 16.357 -2.052 -11.108 393 H ILE 54 HN ILE 54 14.635 -3.849 -11.962 394 HA ILE 54 HA ILE 54 12.127 -5.059 -10.826 395 HB ILE 54 HB ILE 54 14.327 -6.077 -12.657 396 1HG1 ILE 54 2HG1 ILE 54 11.443 -6.214 -13.332 397 2HG1 ILE 54 1HG1 ILE 54 12.136 -4.596 -13.265 398 1HG2 ILE 54 1HG2 ILE 54 11.877 -7.603 -11.755 399 2HG2 ILE 54 2HG2 ILE 54 13.430 -7.755 -10.933 400 3HG2 ILE 54 3HG2 ILE 54 13.279 -8.221 -12.628 401 1HD1 ILE 54 1HD1 ILE 54 13.512 -4.959 -15.079 402 2HD1 ILE 54 2HD1 ILE 54 12.234 -6.103 -15.492 403 3HD1 ILE 54 3HD1 ILE 54 13.708 -6.674 -14.711 404 H ASN 55 HN ASN 55 12.273 -6.166 -8.962 405 HA ASN 55 HA ASN 55 14.983 -6.541 -7.744 406 1HB ASN 55 2HB ASN 55 12.193 -6.115 -6.654 407 2HB ASN 55 1HB ASN 55 13.518 -6.666 -5.625 408 1HD2 ASN 55 1HD2 ASN 55 12.261 -3.914 -7.443 409 2HD2 ASN 55 2HD2 ASN 55 13.390 -2.785 -6.868 410 H GLY 56 HN GLY 56 14.788 -8.497 -9.380 411 1HA GLY 56 2HA GLY 56 14.716 -10.866 -9.487 412 2HA GLY 56 1HA GLY 56 14.044 -10.889 -7.854 413 H ASN 57 HN ASN 57 11.943 -11.527 -7.759 414 HA ASN 57 HA ASN 57 10.315 -11.617 -10.188 415 1HB ASN 57 2HB ASN 57 9.205 -13.188 -8.978 416 2HB ASN 57 1HB ASN 57 10.491 -13.000 -7.807 417 1HD2 ASN 57 1HD2 ASN 57 7.429 -11.451 -8.713 418 2HD2 ASN 57 2HD2 ASN 57 6.930 -11.086 -7.133 419 H HIS 58 HN HIS 58 10.881 -9.398 -7.584 420 HA HIS 58 HA HIS 58 8.313 -8.027 -7.702 421 1HB HIS 58 2HB HIS 58 11.039 -7.563 -6.535 422 2HB HIS 58 1HB HIS 58 9.855 -6.261 -6.516 423 HD1 HIS 58 HD1 HIS 58 11.007 -8.536 -4.223 424 HD2 HIS 58 HD2 HIS 58 7.145 -7.777 -5.609 425 HE1 HIS 58 HE1 HIS 58 9.417 -9.393 -2.448 426 H VAL 59 HN VAL 59 8.049 -5.826 -8.518 427 HA VAL 59 HA VAL 59 10.196 -4.859 -10.317 428 HB VAL 59 HB VAL 59 7.320 -5.420 -11.060 429 1HG1 VAL 59 1HG1 VAL 59 7.551 -3.391 -12.138 430 2HG1 VAL 59 2HG1 VAL 59 8.338 -4.430 -13.328 431 3HG1 VAL 59 3HG1 VAL 59 9.310 -3.504 -12.184 432 1HG2 VAL 59 1HG2 VAL 59 8.355 -7.312 -11.764 433 2HG2 VAL 59 2HG2 VAL 59 9.960 -6.607 -11.539 434 3HG2 VAL 59 3HG2 VAL 59 9.063 -6.307 -13.031 435 H SER 60 HN SER 60 10.580 -2.786 -9.731 436 HA SER 60 HA SER 60 8.548 -1.197 -8.280 437 1HB SER 60 2HB SER 60 11.203 -1.414 -8.002 438 2HB SER 60 1HB SER 60 11.169 -0.124 -9.200 439 HG SER 60 HG SER 60 10.959 0.267 -6.725 440 H PHE 61 HN PHE 61 7.338 0.350 -9.325 441 HA PHE 61 HA PHE 61 8.191 1.149 -12.083 442 1HB PHE 61 2HB PHE 61 5.585 1.364 -12.365 443 2HB PHE 61 1HB PHE 61 6.339 -0.224 -12.479 444 HD1 PHE 61 HD1 PHE 61 6.401 -1.702 -10.413 445 HD2 PHE 61 HD2 PHE 61 3.976 1.838 -10.670 446 HE1 PHE 61 HE1 PHE 61 5.018 -2.513 -8.522 447 HE2 PHE 61 HE2 PHE 61 2.590 1.024 -8.779 448 HZ PHE 61 HZ PHE 61 3.111 -1.152 -7.705 449 H ASP 62 HN ASP 62 7.568 3.318 -12.694 450 HA ASP 62 HA ASP 62 7.866 5.093 -10.370 451 1HB ASP 62 2HB ASP 62 8.392 6.746 -12.127 452 2HB ASP 62 1HB ASP 62 9.254 5.236 -12.424 453 H LEU 63 HN LEU 63 6.588 6.871 -9.889 454 HA LEU 63 HA LEU 63 3.970 7.239 -11.207 455 1HB LEU 63 2HB LEU 63 4.502 5.457 -9.011 456 2HB LEU 63 1HB LEU 63 3.483 6.770 -8.442 457 HG LEU 63 HG LEU 63 2.595 5.857 -11.042 458 1HD1 LEU 63 1HD1 LEU 63 2.583 3.607 -10.835 459 2HD1 LEU 63 2HD1 LEU 63 1.970 3.699 -9.184 460 3HD1 LEU 63 3HD1 LEU 63 3.708 3.811 -9.488 461 1HD2 LEU 63 1HD2 LEU 63 1.457 7.051 -8.917 462 2HD2 LEU 63 2HD2 LEU 63 1.037 5.383 -8.531 463 3HD2 LEU 63 3HD2 LEU 63 0.509 6.096 -10.055 464 H MET 64 HN MET 64 4.052 9.502 -11.284 465 HA MET 64 HA MET 64 5.515 11.112 -9.398 466 1HB MET 64 2HB MET 64 3.568 11.482 -11.626 467 2HB MET 64 1HB MET 64 3.775 12.841 -10.521 468 1HG MET 64 2HG MET 64 6.208 12.774 -10.888 469 2HG MET 64 1HG MET 64 6.009 11.407 -11.983 470 1HE MET 64 1HE MET 64 4.148 11.446 -13.726 471 2HE MET 64 2HE MET 64 5.642 11.751 -14.610 472 3HE MET 64 3HE MET 64 4.195 12.682 -14.991 473 H LYS 65 HN LYS 65 4.811 12.109 -7.498 474 HA LYS 65 HA LYS 65 2.677 10.993 -6.006 475 1HB LYS 65 2HB LYS 65 4.635 12.168 -5.081 476 2HB LYS 65 1HB LYS 65 4.072 13.681 -5.790 477 1HG LYS 65 2HG LYS 65 3.460 13.549 -3.404 478 2HG LYS 65 1HG LYS 65 2.021 13.562 -4.423 479 1HD LYS 65 2HD LYS 65 1.802 11.145 -4.226 480 2HD LYS 65 1HD LYS 65 3.316 11.050 -3.326 481 1HE LYS 65 2HE LYS 65 2.238 12.620 -1.608 482 2HE LYS 65 1HE LYS 65 0.701 12.293 -2.433 483 1HZ LYS 65 1HZ LYS 65 1.353 10.720 -0.558 484 2HZ LYS 65 2HZ LYS 65 2.528 10.111 -1.623 485 3HZ LYS 65 3HZ LYS 65 0.880 10.013 -2.025 486 H GLU 66 HN GLU 66 2.821 14.163 -7.687 487 HA GLU 66 HA GLU 66 0.063 14.834 -7.173 488 1HB GLU 66 2HB GLU 66 1.829 16.451 -7.802 489 2HB GLU 66 1HB GLU 66 1.985 15.669 -9.375 490 1HG GLU 66 2HG GLU 66 -0.364 16.221 -9.889 491 2HG GLU 66 1HG GLU 66 -0.524 17.005 -8.317 492 H THR 67 HN THR 67 1.714 13.168 -9.857 493 HA THR 67 HA THR 67 -0.598 12.746 -11.521 494 HB THR 67 HB THR 67 1.871 11.051 -11.019 495 HG1 THR 67 HG1 THR 67 1.927 13.388 -11.795 496 1HG2 THR 67 1HG2 THR 67 -0.264 11.032 -13.142 497 2HG2 THR 67 2HG2 THR 67 0.380 9.677 -12.215 498 3HG2 THR 67 3HG2 THR 67 1.356 10.422 -13.481 499 H LEU 68 HN LEU 68 0.759 10.977 -8.760 500 HA LEU 68 HA LEU 68 -0.913 8.694 -8.802 501 1HB LEU 68 2HB LEU 68 1.159 9.011 -7.489 502 2HB LEU 68 1HB LEU 68 0.362 10.251 -6.528 503 HG LEU 68 HG LEU 68 -1.416 8.344 -6.107 504 1HD1 LEU 68 1HD1 LEU 68 1.043 6.934 -7.104 505 2HD1 LEU 68 2HD1 LEU 68 -0.652 6.556 -7.406 506 3HD1 LEU 68 3HD1 LEU 68 0.071 6.182 -5.841 507 1HD2 LEU 68 1HD2 LEU 68 0.657 9.483 -4.695 508 2HD2 LEU 68 2HD2 LEU 68 1.024 7.762 -4.572 509 3HD2 LEU 68 3HD2 LEU 68 -0.534 8.374 -4.014 510 H ARG 69 HN ARG 69 -1.299 11.868 -7.213 511 HA ARG 69 HA ARG 69 -3.894 11.323 -6.046 512 1HB ARG 69 2HB ARG 69 -2.348 13.076 -5.288 513 2HB ARG 69 1HB ARG 69 -2.465 13.875 -6.857 514 1HG ARG 69 2HG ARG 69 -4.881 14.225 -6.502 515 2HG ARG 69 1HG ARG 69 -4.764 13.429 -4.931 516 1HD ARG 69 2HD ARG 69 -3.240 15.158 -4.117 517 2HD ARG 69 1HD ARG 69 -3.228 15.932 -5.714 518 HE ARG 69 HE ARG 69 -5.937 15.670 -4.988 519 1HH1 ARG 69 1HH1 ARG 69 -3.069 17.218 -3.835 520 2HH1 ARG 69 2HH1 ARG 69 -3.920 18.549 -3.127 521 1HH2 ARG 69 1HH2 ARG 69 -7.052 17.405 -4.072 522 2HH2 ARG 69 2HH2 ARG 69 -6.170 18.656 -3.262 523 H ILE 70 HN ILE 70 -2.826 12.799 -9.110 524 HA ILE 70 HA ILE 70 -5.371 13.704 -9.991 525 HB ILE 70 HB ILE 70 -2.733 13.839 -10.738 526 1HG1 ILE 70 2HG1 ILE 70 -5.055 14.575 -12.526 527 2HG1 ILE 70 1HG1 ILE 70 -4.599 15.485 -11.084 528 1HG2 ILE 70 1HG2 ILE 70 -4.182 12.154 -12.782 529 2HG2 ILE 70 2HG2 ILE 70 -2.628 11.832 -12.014 530 3HG2 ILE 70 3HG2 ILE 70 -2.776 13.137 -13.188 531 1HD1 ILE 70 1HD1 ILE 70 -2.996 15.071 -13.612 532 2HD1 ILE 70 2HD1 ILE 70 -2.245 15.611 -12.111 533 3HD1 ILE 70 3HD1 ILE 70 -3.495 16.593 -12.875 534 H THR 71 HN THR 71 -3.605 10.695 -10.562 535 HA THR 71 HA THR 71 -5.856 9.480 -12.023 536 HB THR 71 HB THR 71 -4.304 7.644 -12.307 537 HG1 THR 71 HG1 THR 71 -3.133 8.834 -10.070 538 1HG2 THR 71 1HG2 THR 71 -3.839 9.984 -13.390 539 2HG2 THR 71 2HG2 THR 71 -2.617 8.715 -13.494 540 3HG2 THR 71 3HG2 THR 71 -2.453 10.002 -12.299 541 H ASN 72 HN ASN 72 -6.084 7.000 -11.127 542 HA ASN 72 HA ASN 72 -6.791 7.207 -8.236 543 1HB ASN 72 2HB ASN 72 -8.639 6.497 -9.525 544 2HB ASN 72 1HB ASN 72 -7.633 5.527 -10.592 545 1HD2 ASN 72 1HD2 ASN 72 -8.792 3.537 -10.218 546 2HD2 ASN 72 2HD2 ASN 72 -8.758 2.743 -8.718 547 H LEU 73 HN LEU 73 -4.039 6.817 -9.612 548 HA LEU 73 HA LEU 73 -3.173 4.113 -9.042 549 1HB LEU 73 2HB LEU 73 -1.777 6.794 -9.320 550 2HB LEU 73 1HB LEU 73 -0.925 5.254 -9.214 551 HG LEU 73 HG LEU 73 -3.038 5.841 -11.312 552 1HD1 LEU 73 1HD1 LEU 73 -1.478 6.763 -12.678 553 2HD1 LEU 73 2HD1 LEU 73 -0.211 5.666 -12.128 554 3HD1 LEU 73 3HD1 LEU 73 -0.608 7.100 -11.181 555 1HD2 LEU 73 1HD2 LEU 73 -1.220 3.912 -12.193 556 2HD2 LEU 73 2HD2 LEU 73 -2.847 3.603 -11.590 557 3HD2 LEU 73 3HD2 LEU 73 -1.469 3.517 -10.493 558 H GLY 74 HN GLY 74 -3.145 7.175 -7.199 559 1HA GLY 74 2HA GLY 74 -1.578 6.463 -5.031 560 2HA GLY 74 1HA GLY 74 -2.956 7.545 -4.896 561 H ASP 75 HN ASP 75 -4.737 5.262 -5.843 562 HA ASP 75 HA ASP 75 -5.673 4.477 -3.283 563 1HB ASP 75 2HB ASP 75 -7.180 3.083 -4.565 564 2HB ASP 75 1HB ASP 75 -6.876 4.542 -5.509 565 H LEU 76 HN LEU 76 -3.108 3.189 -5.205 566 HA LEU 76 HA LEU 76 -3.134 0.454 -4.394 567 1HB LEU 76 2HB LEU 76 -0.866 2.317 -5.124 568 2HB LEU 76 1HB LEU 76 -0.752 0.560 -5.096 569 HG LEU 76 HG LEU 76 -2.710 2.130 -6.794 570 1HD1 LEU 76 1HD1 LEU 76 0.070 1.590 -7.176 571 2HD1 LEU 76 2HD1 LEU 76 -1.058 2.336 -8.308 572 3HD1 LEU 76 3HD1 LEU 76 -0.838 0.586 -8.305 573 1HD2 LEU 76 1HD2 LEU 76 -2.690 -0.556 -5.904 574 2HD2 LEU 76 2HD2 LEU 76 -2.174 -0.596 -7.592 575 3HD2 LEU 76 3HD2 LEU 76 -3.716 0.143 -7.159 576 H LYS 77 HN LYS 77 -2.263 -0.589 -2.664 577 HA LYS 77 HA LYS 77 -0.633 0.919 -0.682 578 1HB LYS 77 2HB LYS 77 -3.204 -0.592 -0.101 579 2HB LYS 77 1HB LYS 77 -2.108 0.014 1.141 580 1HG LYS 77 2HG LYS 77 -2.414 2.312 0.295 581 2HG LYS 77 1HG LYS 77 -3.515 1.709 -0.945 582 1HD LYS 77 2HD LYS 77 -5.028 0.854 0.808 583 2HD LYS 77 1HD LYS 77 -3.930 1.460 2.049 584 1HE LYS 77 2HE LYS 77 -4.284 3.711 0.523 585 2HE LYS 77 1HE LYS 77 -5.878 2.941 0.394 586 1HZ LYS 77 1HZ LYS 77 -4.489 3.047 2.990 587 2HZ LYS 77 2HZ LYS 77 -6.151 2.905 2.673 588 3HZ LYS 77 3HZ LYS 77 -5.365 4.395 2.452 589 H VAL 78 HN VAL 78 0.852 -0.453 0.382 590 HA VAL 78 HA VAL 78 1.577 -2.838 -0.988 591 HB VAL 78 HB VAL 78 2.294 -1.980 1.834 592 1HG1 VAL 78 1HG1 VAL 78 3.031 -4.228 0.325 593 2HG1 VAL 78 2HG1 VAL 78 3.857 -3.610 1.759 594 3HG1 VAL 78 3HG1 VAL 78 4.389 -3.104 0.152 595 1HG2 VAL 78 1HG2 VAL 78 3.524 -0.288 0.972 596 2HG2 VAL 78 2HG2 VAL 78 2.520 -0.472 -0.467 597 3HG2 VAL 78 3HG2 VAL 78 4.087 -1.275 -0.376 598 H GLY 79 HN GLY 79 1.412 -5.021 -0.355 599 1HA GLY 79 2HA GLY 79 0.545 -6.870 0.887 600 2HA GLY 79 1HA GLY 79 -0.349 -5.733 1.902 601 H ASP 80 HN ASP 80 -1.015 -4.403 -0.881 602 HA ASP 80 HA ASP 80 -3.480 -6.011 -1.348 603 1HB ASP 80 2HB ASP 80 -3.389 -3.480 -0.988 604 2HB ASP 80 1HB ASP 80 -2.613 -3.375 -2.564 605 H TRP 81 HN TRP 81 -4.040 -6.435 -3.671 606 HA TRP 81 HA TRP 81 -1.572 -6.830 -5.331 607 1HB TRP 81 2HB TRP 81 -4.168 -8.371 -5.125 608 2HB TRP 81 1HB TRP 81 -3.030 -8.616 -6.442 609 HD1 TRP 81 HD1 TRP 81 -2.424 -8.174 -2.639 610 HE1 TRP 81 HE1 TRP 81 -0.932 -10.107 -1.843 611 HE3 TRP 81 HE3 TRP 81 -1.989 -10.805 -6.996 612 HZ2 TRP 81 HZ2 TRP 81 0.280 -12.470 -2.898 613 HZ3 TRP 81 HZ3 TRP 81 -0.659 -12.898 -7.071 614 HH2 TRP 81 HH2 TRP 81 0.476 -13.731 -5.026 615 H VAL 82 HN VAL 82 -1.808 -6.382 -7.602 616 HA VAL 82 HA VAL 82 -4.046 -4.520 -8.277 617 HB VAL 82 HB VAL 82 -2.032 -3.258 -8.138 618 1HG1 VAL 82 1HG1 VAL 82 -0.043 -4.325 -9.626 619 2HG1 VAL 82 2HG1 VAL 82 -0.841 -5.802 -9.084 620 3HG1 VAL 82 3HG1 VAL 82 -0.225 -4.647 -7.901 621 1HG2 VAL 82 1HG2 VAL 82 -1.962 -2.380 -10.246 622 2HG2 VAL 82 2HG2 VAL 82 -3.267 -3.525 -10.562 623 3HG2 VAL 82 3HG2 VAL 82 -1.603 -3.946 -10.979 624 H ASN 83 HN ASN 83 -4.810 -4.637 -10.440 625 HA ASN 83 HA ASN 83 -4.454 -7.175 -11.898 626 1HB ASN 83 2HB ASN 83 -6.183 -4.789 -11.858 627 2HB ASN 83 1HB ASN 83 -5.814 -5.339 -13.486 628 1HD2 ASN 83 1HD2 ASN 83 -5.635 -8.179 -12.924 629 2HD2 ASN 83 2HD2 ASN 83 -7.188 -8.719 -12.506 630 H VAL 84 HN VAL 84 -2.393 -7.285 -12.865 631 HA VAL 84 HA VAL 84 -1.373 -4.774 -14.120 632 HB VAL 84 HB VAL 84 0.798 -6.338 -14.089 633 1HG1 VAL 84 1HG1 VAL 84 -0.223 -5.071 -11.542 634 2HG1 VAL 84 2HG1 VAL 84 0.293 -4.123 -12.941 635 3HG1 VAL 84 3HG1 VAL 84 1.444 -5.177 -12.114 636 1HG2 VAL 84 1HG2 VAL 84 0.860 -7.846 -12.233 637 2HG2 VAL 84 2HG2 VAL 84 -0.602 -8.254 -13.133 638 3HG2 VAL 84 3HG2 VAL 84 -0.715 -7.305 -11.650 639 H GLU 85 HN GLU 85 -0.878 -4.674 -16.229 640 HA GLU 85 HA GLU 85 -1.174 -7.166 -17.892 641 1HB GLU 85 2HB GLU 85 -3.211 -5.770 -17.925 642 2HB GLU 85 1HB GLU 85 -2.250 -4.372 -18.407 643 1HG GLU 85 2HG GLU 85 -1.581 -5.538 -20.474 644 2HG GLU 85 1HG GLU 85 -2.544 -6.938 -20.000 645 H ARG 86 HN ARG 86 0.368 -7.360 -19.531 646 HA ARG 86 HA ARG 86 2.691 -5.599 -19.380 647 1HB ARG 86 2HB ARG 86 2.817 -8.047 -19.627 648 2HB ARG 86 1HB ARG 86 1.982 -7.940 -21.178 649 1HG ARG 86 2HG ARG 86 3.817 -6.555 -22.075 650 2HG ARG 86 1HG ARG 86 4.655 -6.664 -20.527 651 1HD ARG 86 2HD ARG 86 4.799 -9.123 -20.768 652 2HD ARG 86 1HD ARG 86 3.964 -9.013 -22.331 653 HE ARG 86 HE ARG 86 6.192 -7.195 -22.280 654 1HH1 ARG 86 1HH1 ARG 86 5.344 -10.539 -22.502 655 2HH1 ARG 86 2HH1 ARG 86 6.757 -10.967 -23.405 656 1HH2 ARG 86 1HH2 ARG 86 8.036 -7.747 -23.456 657 2HH2 ARG 86 2HH2 ARG 86 8.279 -9.390 -23.945 658 H ALA 87 HN ALA 87 3.210 -3.941 -20.772 659 HA ALA 87 HA ALA 87 1.649 -3.677 -23.319 660 1HB ALA 87 1HB ALA 87 1.247 -2.188 -21.097 661 2HB ALA 87 2HB ALA 87 1.033 -1.550 -22.727 662 3HB ALA 87 3HB ALA 87 2.535 -1.248 -21.854 663 H ALA 88 HN ALA 88 2.837 -2.822 -25.075 664 HA ALA 88 HA ALA 88 5.670 -2.026 -24.646 665 1HB ALA 88 1HB ALA 88 5.188 -4.603 -24.908 666 2HB ALA 88 2HB ALA 88 6.548 -3.875 -25.765 667 3HB ALA 88 3HB ALA 88 5.038 -4.197 -26.618 668 H LYS 89 HN LYS 89 2.881 -1.284 -26.087 669 HA LYS 89 HA LYS 89 2.342 0.213 -27.912 670 1HB LYS 89 2HB LYS 89 5.359 0.568 -27.715 671 2HB LYS 89 1HB LYS 89 4.239 1.679 -28.496 672 1HG LYS 89 2HG LYS 89 3.104 2.100 -26.386 673 2HG LYS 89 1HG LYS 89 4.101 0.890 -25.579 674 1HD LYS 89 2HD LYS 89 6.098 2.191 -25.926 675 2HD LYS 89 1HD LYS 89 5.227 3.347 -26.937 676 1HE LYS 89 2HE LYS 89 3.865 3.090 -24.404 677 2HE LYS 89 1HE LYS 89 5.576 3.477 -24.128 678 1HZ LYS 89 1HZ LYS 89 4.179 4.842 -26.311 679 2HZ LYS 89 2HZ LYS 89 5.442 5.399 -25.319 680 3HZ LYS 89 3HZ LYS 89 3.851 5.352 -24.726 681 H PHE 90 HN PHE 90 3.435 -2.695 -28.432 682 HA PHE 90 HA PHE 90 3.245 -2.348 -31.338 683 1HB PHE 90 2HB PHE 90 5.357 -3.383 -31.851 684 2HB PHE 90 1HB PHE 90 5.677 -2.099 -30.689 685 HD1 PHE 90 HD1 PHE 90 6.788 -2.569 -28.671 686 HD2 PHE 90 HD2 PHE 90 4.990 -5.773 -30.900 687 HE1 PHE 90 HE1 PHE 90 7.798 -4.217 -27.114 688 HE2 PHE 90 HE2 PHE 90 6.001 -7.422 -29.345 689 HZ PHE 90 HZ PHE 90 7.404 -6.644 -27.451 690 H SER 91 HN SER 91 2.867 -4.410 -32.418 691 HA SER 91 HA SER 91 2.415 -6.766 -30.655 692 1HB SER 91 2HB SER 91 0.383 -5.534 -32.544 693 2HB SER 91 1HB SER 91 0.160 -7.045 -31.669 694 HG SER 91 HG SER 91 0.691 -5.637 -29.753 695 H ASP 92 HN ASP 92 2.581 -8.766 -31.833 696 HA ASP 92 HA ASP 92 4.264 -8.682 -34.174 697 1HB ASP 92 2HB ASP 92 4.148 -10.441 -32.358 698 2HB ASP 92 1HB ASP 92 2.626 -10.982 -33.069 699 H GLU 93 HN GLU 93 0.822 -9.567 -33.707 700 HA GLU 93 HA GLU 93 0.219 -8.698 -36.461 701 1HB GLU 93 2HB GLU 93 0.062 -11.574 -35.513 702 2HB GLU 93 1HB GLU 93 -0.765 -10.995 -36.958 703 1HG GLU 93 2HG GLU 93 1.438 -10.217 -37.853 704 2HG GLU 93 1HG GLU 93 2.222 -10.943 -36.449 705 H ILE 94 HN ILE 94 -0.785 -7.512 -34.226 706 HA ILE 94 HA ILE 94 -3.450 -8.732 -33.676 707 HB ILE 94 HB ILE 94 -1.972 -6.370 -32.475 708 1HG1 ILE 94 2HG1 ILE 94 -0.883 -8.549 -32.058 709 2HG1 ILE 94 1HG1 ILE 94 -1.599 -7.911 -30.577 710 1HG2 ILE 94 1HG2 ILE 94 -3.672 -6.404 -30.746 711 2HG2 ILE 94 2HG2 ILE 94 -4.431 -7.826 -31.462 712 3HG2 ILE 94 3HG2 ILE 94 -4.480 -6.281 -32.309 713 1HD1 ILE 94 1HD1 ILE 94 -3.598 -9.432 -31.943 714 2HD1 ILE 94 2HD1 ILE 94 -2.854 -9.766 -30.379 715 3HD1 ILE 94 3HD1 ILE 94 -2.133 -10.409 -31.854 716 H GLY 95 HN GLY 95 -1.953 -5.790 -35.007 717 1HA GLY 95 2HA GLY 95 -2.922 -3.967 -36.140 718 2HA GLY 95 1HA GLY 95 -3.903 -5.209 -36.918 719 H GLY 96 HN GLY 96 -3.737 -3.436 -33.810 720 1HA GLY 96 2HA GLY 96 -6.417 -2.462 -33.966 721 2HA GLY 96 1HA GLY 96 -6.404 -3.941 -33.003 722 H HIS 97 HN HIS 97 -7.122 -2.226 -31.333 723 HA HIS 97 HA HIS 97 -6.541 -1.171 -29.291 724 1HB HIS 97 2HB HIS 97 -4.598 -3.014 -29.810 725 2HB HIS 97 1HB HIS 97 -3.637 -1.536 -29.773 726 HD1 HIS 97 HD1 HIS 97 -2.964 -0.753 -27.503 727 HD2 HIS 97 HD2 HIS 97 -6.319 -3.222 -27.341 728 HE1 HIS 97 HE1 HIS 97 -3.502 -1.072 -25.048 729 1H MET 1 1HT MET 1 -0.758 -0.316 -29.675 730 2H MET 1 2HT MET 1 0.480 0.463 -30.538 731 3H MET 1 3HT MET 1 -1.106 1.069 -30.589 732 HA MET 1 HA MET 1 0.950 1.432 -28.567 733 1HB MET 1 2HB MET 1 -1.528 2.868 -29.579 734 2HB MET 1 1HB MET 1 -0.417 3.544 -28.385 735 1HG MET 1 2HG MET 1 1.437 3.364 -29.997 736 2HG MET 1 1HG MET 1 0.339 2.676 -31.192 737 1HE MET 1 1HE MET 1 1.525 6.156 -29.480 738 2HE MET 1 2HE MET 1 0.348 5.261 -28.523 739 3HE MET 1 3HE MET 1 -0.111 6.792 -29.262 740 H PHE 2 HN PHE 2 -0.281 2.499 -26.477 741 HA PHE 2 HA PHE 2 -2.760 1.257 -25.701 742 1HB PHE 2 2HB PHE 2 -1.886 -0.176 -23.928 743 2HB PHE 2 1HB PHE 2 -1.136 -0.649 -25.449 744 HD1 PHE 2 HD1 PHE 2 1.178 -0.905 -25.500 745 HD2 PHE 2 HD2 PHE 2 -0.552 1.713 -22.563 746 HE1 PHE 2 HE1 PHE 2 3.431 -0.505 -24.514 747 HE2 PHE 2 HE2 PHE 2 1.693 2.117 -21.602 748 HZ PHE 2 HZ PHE 2 3.681 1.008 -22.574 749 H THR 3 HN THR 3 -3.458 2.177 -23.618 750 HA THR 3 HA THR 3 -1.569 3.966 -22.258 751 HB THR 3 HB THR 3 -2.999 5.930 -22.627 752 HG1 THR 3 HG1 THR 3 -4.594 5.020 -24.546 753 1HG2 THR 3 1HG2 THR 3 -2.545 6.280 -24.966 754 2HG2 THR 3 2HG2 THR 3 -2.526 4.544 -25.282 755 3HG2 THR 3 3HG2 THR 3 -1.242 5.280 -24.324 756 H GLY 4 HN GLY 4 -4.898 2.773 -22.600 757 1HA GLY 4 2HA GLY 4 -6.557 2.404 -20.982 758 2HA GLY 4 1HA GLY 4 -5.231 1.785 -19.990 759 H ILE 5 HN ILE 5 -5.077 5.057 -21.167 760 HA ILE 5 HA ILE 5 -4.941 6.014 -18.393 761 HB ILE 5 HB ILE 5 -4.873 7.464 -21.064 762 1HG1 ILE 5 2HG1 ILE 5 -2.620 6.478 -19.286 763 2HG1 ILE 5 1HG1 ILE 5 -3.121 5.716 -20.792 764 1HG2 ILE 5 1HG2 ILE 5 -5.253 8.657 -18.689 765 2HG2 ILE 5 2HG2 ILE 5 -4.227 9.369 -19.933 766 3HG2 ILE 5 3HG2 ILE 5 -3.498 8.463 -18.604 767 1HD1 ILE 5 1HD1 ILE 5 -1.383 7.985 -20.415 768 2HD1 ILE 5 2HD1 ILE 5 -2.781 8.459 -21.381 769 3HD1 ILE 5 3HD1 ILE 5 -1.759 7.121 -21.904 770 H VAL 6 HN VAL 6 -6.730 6.554 -17.264 771 HA VAL 6 HA VAL 6 -9.329 6.664 -18.500 772 HB VAL 6 HB VAL 6 -8.130 6.987 -15.766 773 1HG1 VAL 6 1HG1 VAL 6 -10.443 7.286 -14.858 774 2HG1 VAL 6 2HG1 VAL 6 -11.018 7.540 -16.504 775 3HG1 VAL 6 3HG1 VAL 6 -9.887 8.681 -15.781 776 1HG2 VAL 6 1HG2 VAL 6 -9.296 4.922 -17.334 777 2HG2 VAL 6 2HG2 VAL 6 -10.397 5.239 -15.994 778 3HG2 VAL 6 3HG2 VAL 6 -8.715 4.815 -15.673 779 H GLN 7 HN GLN 7 -10.739 8.450 -18.699 780 HA GLN 7 HA GLN 7 -9.379 11.088 -18.894 781 1HB GLN 7 2HB GLN 7 -11.978 9.919 -19.928 782 2HB GLN 7 1HB GLN 7 -11.505 11.600 -20.186 783 1HG GLN 7 2HG GLN 7 -9.777 9.243 -20.981 784 2HG GLN 7 1HG GLN 7 -10.897 10.043 -22.084 785 1HE2 GLN 7 1HE2 GLN 7 -10.575 12.696 -21.719 786 2HE2 GLN 7 2HE2 GLN 7 -8.958 13.178 -21.906 787 H GLY 8 HN GLY 8 -11.592 9.385 -16.827 788 1HA GLY 8 2HA GLY 8 -12.183 11.961 -15.438 789 2HA GLY 8 1HA GLY 8 -13.523 10.899 -15.869 790 H THR 9 HN THR 9 -13.062 11.535 -13.188 791 HA THR 9 HA THR 9 -12.049 8.913 -12.140 792 HB THR 9 HB THR 9 -11.692 10.577 -10.054 793 HG1 THR 9 HG1 THR 9 -10.779 12.520 -11.188 794 1HG2 THR 9 1HG2 THR 9 -9.780 9.460 -10.667 795 2HG2 THR 9 2HG2 THR 9 -9.364 11.050 -11.307 796 3HG2 THR 9 3HG2 THR 9 -10.002 9.805 -12.382 797 H ALA 10 HN ALA 10 -13.021 8.448 -9.919 798 HA ALA 10 HA ALA 10 -15.838 9.452 -9.655 799 1HB ALA 10 1HB ALA 10 -14.866 6.895 -10.647 800 2HB ALA 10 2HB ALA 10 -16.527 7.493 -10.563 801 3HB ALA 10 3HB ALA 10 -15.817 6.669 -9.176 802 H LYS 11 HN LYS 11 -16.618 9.291 -7.499 803 HA LYS 11 HA LYS 11 -14.498 8.665 -5.471 804 1HB LYS 11 2HB LYS 11 -15.278 10.968 -5.488 805 2HB LYS 11 1HB LYS 11 -16.952 10.431 -5.426 806 1HG LYS 11 2HG LYS 11 -16.605 9.435 -3.230 807 2HG LYS 11 1HG LYS 11 -14.890 9.843 -3.290 808 1HD LYS 11 2HD LYS 11 -15.256 12.046 -2.820 809 2HD LYS 11 1HD LYS 11 -16.775 12.094 -3.720 810 1HE LYS 11 2HE LYS 11 -17.751 10.625 -1.835 811 2HE LYS 11 1HE LYS 11 -16.304 11.074 -0.908 812 1HZ LYS 11 1HZ LYS 11 -17.944 13.096 -2.315 813 2HZ LYS 11 2HZ LYS 11 -16.806 13.338 -1.076 814 3HZ LYS 11 3HZ LYS 11 -18.305 12.617 -0.729 815 H LEU 12 HN LEU 12 -14.841 6.647 -4.616 816 HA LEU 12 HA LEU 12 -17.328 5.210 -4.606 817 1HB LEU 12 2HB LEU 12 -14.805 4.547 -4.151 818 2HB LEU 12 1HB LEU 12 -15.200 4.956 -2.496 819 HG LEU 12 HG LEU 12 -16.968 3.306 -2.438 820 1HD1 LEU 12 1HD1 LEU 12 -16.679 3.522 -5.355 821 2HD1 LEU 12 2HD1 LEU 12 -18.079 3.035 -4.399 822 3HD1 LEU 12 3HD1 LEU 12 -16.824 1.859 -4.787 823 1HD2 LEU 12 1HD2 LEU 12 -15.355 1.790 -1.999 824 2HD2 LEU 12 2HD2 LEU 12 -14.220 2.663 -3.031 825 3HD2 LEU 12 3HD2 LEU 12 -15.266 1.423 -3.720 826 H VAL 13 HN VAL 13 -19.084 5.573 -3.351 827 HA VAL 13 HA VAL 13 -18.724 7.176 -0.847 828 HB VAL 13 HB VAL 13 -19.676 8.624 -2.438 829 1HG1 VAL 13 1HG1 VAL 13 -20.402 7.686 -4.349 830 2HG1 VAL 13 2HG1 VAL 13 -21.949 7.493 -3.519 831 3HG1 VAL 13 3HG1 VAL 13 -20.792 6.165 -3.542 832 1HG2 VAL 13 1HG2 VAL 13 -21.137 7.843 -0.243 833 2HG2 VAL 13 2HG2 VAL 13 -22.315 7.708 -1.547 834 3HG2 VAL 13 3HG2 VAL 13 -21.504 9.247 -1.247 835 H SER 14 HN SER 14 -20.456 4.628 -2.531 836 HA SER 14 HA SER 14 -21.401 3.614 0.123 837 1HB SER 14 2HB SER 14 -22.967 5.105 -1.485 838 2HB SER 14 1HB SER 14 -23.278 3.518 -2.177 839 HG SER 14 HG SER 14 -23.287 3.764 0.603 840 H ILE 15 HN ILE 15 -21.461 1.366 0.248 841 HA ILE 15 HA ILE 15 -20.836 -0.159 -2.264 842 HB ILE 15 HB ILE 15 -20.477 -1.059 0.605 843 1HG1 ILE 15 2HG1 ILE 15 -18.594 0.397 -1.261 844 2HG1 ILE 15 1HG1 ILE 15 -19.142 0.904 0.335 845 1HG2 ILE 15 1HG2 ILE 15 -19.536 -2.025 -2.103 846 2HG2 ILE 15 2HG2 ILE 15 -20.465 -2.913 -0.895 847 3HG2 ILE 15 3HG2 ILE 15 -18.761 -2.548 -0.608 848 1HD1 ILE 15 1HD1 ILE 15 -16.952 -0.906 -0.384 849 2HD1 ILE 15 2HD1 ILE 15 -18.045 -1.599 0.817 850 3HD1 ILE 15 3HD1 ILE 15 -17.252 -0.058 1.132 851 H ASP 16 HN ASP 16 -22.364 -1.572 -2.953 852 HA ASP 16 HA ASP 16 -24.660 -2.180 -1.128 853 1HB ASP 16 2HB ASP 16 -24.323 -1.926 -4.115 854 2HB ASP 16 1HB ASP 16 -25.737 -2.719 -3.416 855 H GLU 17 HN GLU 17 -24.393 -4.208 -0.253 856 HA GLU 17 HA GLU 17 -22.869 -6.236 -1.817 857 1HB GLU 17 2HB GLU 17 -23.689 -5.921 1.083 858 2HB GLU 17 1HB GLU 17 -22.863 -7.355 0.471 859 1HG GLU 17 2HG GLU 17 -20.996 -5.949 -0.321 860 2HG GLU 17 1HG GLU 17 -21.818 -4.514 0.294 861 H LYS 18 HN LYS 18 -24.232 -7.441 -3.104 862 HA LYS 18 HA LYS 18 -26.870 -8.313 -1.995 863 1HB LYS 18 2HB LYS 18 -25.829 -8.740 -4.800 864 2HB LYS 18 1HB LYS 18 -27.502 -8.643 -4.257 865 1HG LYS 18 2HG LYS 18 -26.308 -6.204 -3.490 866 2HG LYS 18 1HG LYS 18 -25.761 -6.513 -5.139 867 1HD LYS 18 2HD LYS 18 -27.931 -5.261 -5.038 868 2HD LYS 18 1HD LYS 18 -28.052 -6.795 -5.899 869 1HE LYS 18 2HE LYS 18 -28.532 -7.308 -3.120 870 2HE LYS 18 1HE LYS 18 -29.567 -5.960 -3.632 871 1HZ LYS 18 1HZ LYS 18 -29.240 -8.201 -5.480 872 2HZ LYS 18 2HZ LYS 18 -30.593 -7.210 -5.210 873 3HZ LYS 18 3HZ LYS 18 -30.222 -8.460 -4.121 874 HA PRO 19 HA PRO 19 -25.125 -12.222 -0.950 875 1HB PRO 19 2HB PRO 19 -27.486 -13.682 -1.450 876 2HB PRO 19 1HB PRO 19 -27.015 -12.948 0.094 877 1HG PRO 19 2HG PRO 19 -28.892 -11.962 -1.972 878 2HG PRO 19 1HG PRO 19 -28.916 -11.736 -0.217 879 1HD PRO 19 2HD PRO 19 -28.202 -9.767 -1.917 880 2HD PRO 19 1HD PRO 19 -27.485 -9.931 -0.297 881 H ASN 20 HN ASN 20 -26.551 -11.447 -4.011 882 HA ASN 20 HA ASN 20 -25.558 -13.987 -5.234 883 1HB ASN 20 2HB ASN 20 -27.112 -11.755 -6.556 884 2HB ASN 20 1HB ASN 20 -27.054 -13.459 -7.009 885 1HD2 ASN 20 1HD2 ASN 20 -28.569 -11.131 -4.870 886 2HD2 ASN 20 2HD2 ASN 20 -29.665 -12.209 -4.156 887 H PHE 21 HN PHE 21 -25.024 -10.529 -5.109 888 HA PHE 21 HA PHE 21 -22.483 -10.829 -6.602 889 1HB PHE 21 2HB PHE 21 -24.764 -9.040 -7.514 890 2HB PHE 21 1HB PHE 21 -23.181 -9.164 -8.283 891 HD1 PHE 21 HD1 PHE 21 -26.480 -10.629 -7.952 892 HD2 PHE 21 HD2 PHE 21 -22.462 -11.375 -9.289 893 HE1 PHE 21 HE1 PHE 21 -27.283 -12.562 -9.285 894 HE2 PHE 21 HE2 PHE 21 -23.265 -13.309 -10.622 895 HZ PHE 21 HZ PHE 21 -25.676 -13.902 -10.620 896 H ARG 22 HN ARG 22 -21.060 -9.026 -6.182 897 HA ARG 22 HA ARG 22 -21.938 -7.262 -3.957 898 1HB ARG 22 2HB ARG 22 -19.790 -8.460 -3.804 899 2HB ARG 22 1HB ARG 22 -19.251 -7.679 -5.286 900 1HG ARG 22 2HG ARG 22 -19.460 -5.473 -4.210 901 2HG ARG 22 1HG ARG 22 -19.996 -6.252 -2.721 902 1HD ARG 22 2HD ARG 22 -17.843 -7.458 -2.565 903 2HD ARG 22 1HD ARG 22 -17.295 -6.667 -4.055 904 HE ARG 22 HE ARG 22 -18.079 -4.531 -2.531 905 1HH1 ARG 22 1HH1 ARG 22 -16.092 -7.298 -1.935 906 2HH1 ARG 22 2HH1 ARG 22 -15.095 -6.489 -0.772 907 1HH2 ARG 22 1HH2 ARG 22 -16.782 -3.473 -1.016 908 2HH2 ARG 22 2HH2 ARG 22 -15.485 -4.330 -0.253 909 H THR 23 HN THR 23 -22.136 -5.079 -4.203 910 HA THR 23 HA THR 23 -21.933 -4.003 -6.998 911 HB THR 23 HB THR 23 -24.047 -3.580 -4.859 912 HG1 THR 23 HG1 THR 23 -24.054 -5.081 -7.267 913 1HG2 THR 23 1HG2 THR 23 -23.888 -2.685 -7.751 914 2HG2 THR 23 2HG2 THR 23 -23.817 -1.643 -6.330 915 3HG2 THR 23 3HG2 THR 23 -25.306 -2.506 -6.718 916 H HIS 24 HN HIS 24 -21.090 -1.902 -7.150 917 HA HIS 24 HA HIS 24 -20.547 -0.506 -4.553 918 1HB HIS 24 2HB HIS 24 -18.797 -1.566 -6.621 919 2HB HIS 24 1HB HIS 24 -18.503 0.146 -6.314 920 HD1 HIS 24 HD1 HIS 24 -17.182 -2.864 -5.203 921 HD2 HIS 24 HD2 HIS 24 -18.829 0.353 -3.128 922 HE1 HIS 24 HE1 HIS 24 -16.359 -3.050 -2.812 923 H VAL 25 HN VAL 25 -20.827 1.727 -4.573 924 HA VAL 25 HA VAL 25 -21.748 2.920 -7.165 925 HB VAL 25 HB VAL 25 -22.517 3.704 -4.354 926 1HG1 VAL 25 1HG1 VAL 25 -22.787 5.354 -6.258 927 2HG1 VAL 25 2HG1 VAL 25 -24.277 4.955 -5.402 928 3HG1 VAL 25 3HG1 VAL 25 -23.939 4.225 -6.971 929 1HG2 VAL 25 1HG2 VAL 25 -24.048 2.040 -4.278 930 2HG2 VAL 25 2HG2 VAL 25 -23.192 1.319 -5.642 931 3HG2 VAL 25 3HG2 VAL 25 -24.579 2.371 -5.927 932 H VAL 26 HN VAL 26 -20.703 4.717 -7.820 933 HA VAL 26 HA VAL 26 -18.756 5.996 -5.932 934 HB VAL 26 HB VAL 26 -17.480 6.484 -8.006 935 1HG1 VAL 26 1HG1 VAL 26 -18.101 3.827 -6.986 936 2HG1 VAL 26 2HG1 VAL 26 -16.544 4.501 -7.464 937 3HG1 VAL 26 3HG1 VAL 26 -17.601 3.777 -8.675 938 1HG2 VAL 26 1HG2 VAL 26 -18.223 5.674 -10.150 939 2HG2 VAL 26 2HG2 VAL 26 -19.561 6.582 -9.447 940 3HG2 VAL 26 3HG2 VAL 26 -19.580 4.818 -9.417 941 H GLU 27 HN GLU 27 -18.327 8.354 -6.616 942 HA GLU 27 HA GLU 27 -20.922 9.707 -7.179 943 1HB GLU 27 2HB GLU 27 -19.133 9.929 -5.161 944 2HB GLU 27 1HB GLU 27 -18.458 11.091 -6.296 945 1HG GLU 27 2HG GLU 27 -20.402 12.428 -6.277 946 2HG GLU 27 1HG GLU 27 -21.382 11.139 -5.579 947 H LEU 28 HN LEU 28 -21.114 10.305 -9.286 948 HA LEU 28 HA LEU 28 -18.822 10.347 -11.054 949 1HB LEU 28 2HB LEU 28 -21.424 9.740 -11.255 950 2HB LEU 28 1HB LEU 28 -21.508 11.411 -11.795 951 HG LEU 28 HG LEU 28 -19.881 10.979 -13.552 952 1HD1 LEU 28 1HD1 LEU 28 -19.339 8.648 -11.884 953 2HD1 LEU 28 2HD1 LEU 28 -18.326 9.396 -13.120 954 3HD1 LEU 28 3HD1 LEU 28 -19.545 8.207 -13.579 955 1HD2 LEU 28 1HD2 LEU 28 -21.968 8.778 -13.425 956 2HD2 LEU 28 2HD2 LEU 28 -21.137 9.313 -14.885 957 3HD2 LEU 28 3HD2 LEU 28 -22.235 10.406 -14.043 958 HA PRO 29 HA PRO 29 -17.876 14.625 -10.183 959 1HB PRO 29 2HB PRO 29 -16.031 14.872 -12.215 960 2HB PRO 29 1HB PRO 29 -15.671 14.219 -10.609 961 1HG PRO 29 2HG PRO 29 -16.186 12.788 -13.160 962 2HG PRO 29 1HG PRO 29 -15.071 12.390 -11.845 963 1HD PRO 29 2HD PRO 29 -17.423 11.108 -12.203 964 2HD PRO 29 1HD PRO 29 -16.698 11.355 -10.598 965 H ASP 30 HN ASP 30 -17.592 16.631 -11.741 966 HA ASP 30 HA ASP 30 -20.081 17.086 -12.991 967 1HB ASP 30 2HB ASP 30 -17.367 18.408 -13.212 968 2HB ASP 30 1HB ASP 30 -18.829 19.108 -13.905 969 H HIS 31 HN HIS 31 -16.956 16.163 -14.481 970 HA HIS 31 HA HIS 31 -18.170 16.329 -17.158 971 1HB HIS 31 2HB HIS 31 -15.890 15.929 -17.914 972 2HB HIS 31 1HB HIS 31 -15.871 17.125 -16.625 973 HD1 HIS 31 HD1 HIS 31 -16.415 14.383 -14.634 974 HD2 HIS 31 HD2 HIS 31 -13.134 15.468 -16.959 975 HE1 HIS 31 HE1 HIS 31 -14.416 13.147 -13.684 976 H MET 32 HN MET 32 -18.255 14.014 -14.803 977 HA MET 32 HA MET 32 -18.398 11.805 -16.832 978 1HB MET 32 2HB MET 32 -17.964 11.841 -13.834 979 2HB MET 32 1HB MET 32 -18.281 10.360 -14.737 980 1HG MET 32 2HG MET 32 -15.996 12.276 -15.278 981 2HG MET 32 1HG MET 32 -15.849 10.736 -14.432 982 1HE MET 32 1HE MET 32 -16.079 8.508 -15.344 983 2HE MET 32 2HE MET 32 -16.528 8.052 -16.986 984 3HE MET 32 3HE MET 32 -17.734 8.760 -15.915 985 H LEU 33 HN LEU 33 -20.190 13.902 -14.812 986 HA LEU 33 HA LEU 33 -22.490 12.238 -14.261 987 1HB LEU 33 2HB LEU 33 -21.826 15.170 -14.327 988 2HB LEU 33 1HB LEU 33 -23.499 14.661 -14.105 989 HG LEU 33 HG LEU 33 -21.256 13.542 -12.410 990 1HD1 LEU 33 1HD1 LEU 33 -22.697 16.150 -12.240 991 2HD1 LEU 33 2HD1 LEU 33 -21.066 15.733 -11.717 992 3HD1 LEU 33 3HD1 LEU 33 -22.455 15.262 -10.736 993 1HD2 LEU 33 1HD2 LEU 33 -23.750 12.630 -12.719 994 2HD2 LEU 33 2HD2 LEU 33 -24.093 13.900 -11.545 995 3HD2 LEU 33 3HD2 LEU 33 -22.952 12.616 -11.146 996 H ASP 34 HN ASP 34 -21.487 14.237 -16.990 997 HA ASP 34 HA ASP 34 -24.120 13.933 -18.313 998 1HB ASP 34 2HB ASP 34 -22.885 16.080 -18.279 999 2HB ASP 34 1HB ASP 34 -21.539 15.311 -19.119 1000 H GLY 35 HN GLY 35 -24.476 12.207 -19.650 1001 1HA GLY 35 2HA GLY 35 -23.799 11.079 -21.737 1002 2HA GLY 35 1HA GLY 35 -22.138 11.102 -21.147 1003 H LEU 36 HN LEU 36 -22.324 10.099 -18.612 1004 HA LEU 36 HA LEU 36 -22.564 7.288 -19.098 1005 1HB LEU 36 2HB LEU 36 -21.156 8.619 -17.396 1006 2HB LEU 36 1HB LEU 36 -22.611 8.653 -16.400 1007 HG LEU 36 HG LEU 36 -21.655 6.037 -17.527 1008 1HD1 LEU 36 1HD1 LEU 36 -19.690 6.299 -16.427 1009 2HD1 LEU 36 2HD1 LEU 36 -20.644 6.097 -14.959 1010 3HD1 LEU 36 3HD1 LEU 36 -20.269 7.715 -15.551 1011 1HD2 LEU 36 1HD2 LEU 36 -23.795 5.973 -16.440 1012 2HD2 LEU 36 2HD2 LEU 36 -23.211 6.944 -15.089 1013 3HD2 LEU 36 3HD2 LEU 36 -22.643 5.289 -15.298 1014 H GLU 37 HN GLU 37 -24.228 5.859 -18.653 1015 HA GLU 37 HA GLU 37 -26.568 6.769 -17.078 1016 1HB GLU 37 2HB GLU 37 -28.095 6.102 -18.917 1017 2HB GLU 37 1HB GLU 37 -27.013 7.398 -19.429 1018 1HG GLU 37 2HG GLU 37 -25.522 5.742 -20.488 1019 2HG GLU 37 1HG GLU 37 -26.604 4.444 -19.981 1020 H THR 38 HN THR 38 -28.060 4.810 -16.708 1021 HA THR 38 HA THR 38 -26.528 2.667 -15.646 1022 HB THR 38 HB THR 38 -29.093 1.710 -15.964 1023 HG1 THR 38 HG1 THR 38 -29.722 3.593 -17.024 1024 1HG2 THR 38 1HG2 THR 38 -27.667 3.338 -13.916 1025 2HG2 THR 38 2HG2 THR 38 -28.280 1.689 -13.809 1026 3HG2 THR 38 3HG2 THR 38 -29.394 3.052 -13.704 1027 H GLY 39 HN GLY 39 -26.314 0.467 -16.367 1028 1HA GLY 39 2HA GLY 39 -26.145 -1.270 -17.959 1029 2HA GLY 39 1HA GLY 39 -27.193 -0.350 -19.034 1030 H ALA 40 HN ALA 40 -24.897 1.787 -18.024 1031 HA ALA 40 HA ALA 40 -23.366 1.632 -20.527 1032 1HB ALA 40 1HB ALA 40 -24.002 3.774 -19.575 1033 2HB ALA 40 2HB ALA 40 -22.250 3.622 -19.419 1034 3HB ALA 40 3HB ALA 40 -23.290 3.338 -18.019 1035 H SER 41 HN SER 41 -20.963 1.377 -20.469 1036 HA SER 41 HA SER 41 -20.110 -0.410 -18.231 1037 1HB SER 41 2HB SER 41 -18.162 -0.625 -20.066 1038 2HB SER 41 1HB SER 41 -19.654 -1.552 -20.174 1039 HG SER 41 HG SER 41 -20.124 -0.475 -21.907 1040 H VAL 42 HN VAL 42 -18.982 0.619 -16.674 1041 HA VAL 42 HA VAL 42 -17.210 2.911 -17.421 1042 HB VAL 42 HB VAL 42 -18.776 2.070 -15.027 1043 1HG1 VAL 42 1HG1 VAL 42 -16.871 1.994 -13.765 1044 2HG1 VAL 42 2HG1 VAL 42 -17.153 3.735 -13.742 1045 3HG1 VAL 42 3HG1 VAL 42 -15.972 3.046 -14.858 1046 1HG2 VAL 42 1HG2 VAL 42 -18.590 4.276 -16.764 1047 2HG2 VAL 42 2HG2 VAL 42 -17.998 4.834 -15.197 1048 3HG2 VAL 42 3HG2 VAL 42 -19.612 4.132 -15.332 1049 H ALA 43 HN ALA 43 -15.047 2.462 -17.500 1050 HA ALA 43 HA ALA 43 -14.062 -0.116 -16.381 1051 1HB ALA 43 1HB ALA 43 -12.429 1.952 -17.838 1052 2HB ALA 43 2HB ALA 43 -13.556 0.932 -18.734 1053 3HB ALA 43 3HB ALA 43 -12.235 0.200 -17.823 1054 H HIS 44 HN HIS 44 -13.333 -0.020 -14.299 1055 HA HIS 44 HA HIS 44 -12.643 2.589 -13.093 1056 1HB HIS 44 2HB HIS 44 -13.160 -0.231 -12.208 1057 2HB HIS 44 1HB HIS 44 -12.232 0.816 -11.135 1058 HD1 HIS 44 HD1 HIS 44 -15.066 2.089 -13.325 1059 HD2 HIS 44 HD2 HIS 44 -14.302 1.278 -9.296 1060 HE1 HIS 44 HE1 HIS 44 -17.020 3.030 -12.011 1061 HE2 HIS 44 HE2 HIS 44 -16.564 2.532 -9.571 1062 H ASN 45 HN ASN 45 -10.683 3.229 -13.836 1063 HA ASN 45 HA ASN 45 -8.376 3.274 -14.238 1064 1HB ASN 45 2HB ASN 45 -8.674 2.081 -11.839 1065 2HB ASN 45 1HB ASN 45 -7.949 0.745 -12.736 1066 1HD2 ASN 45 1HD2 ASN 45 -7.308 3.846 -11.288 1067 2HD2 ASN 45 2HD2 ASN 45 -5.685 3.963 -11.748 1068 H GLY 46 HN GLY 46 -10.453 1.043 -15.472 1069 1HA GLY 46 2HA GLY 46 -9.704 0.463 -17.814 1070 2HA GLY 46 1HA GLY 46 -8.281 -0.248 -17.059 1071 H CYS 47 HN CYS 47 -10.795 -0.950 -14.980 1072 HA CYS 47 HA CYS 47 -11.179 -3.628 -16.255 1073 1HB CYS 47 2HB CYS 47 -10.355 -3.372 -13.876 1074 2HB CYS 47 1HB CYS 47 -11.913 -2.654 -13.472 1075 HG CYS 47 HG CYS 47 -11.480 -5.543 -13.488 1076 H CYS 48 HN CYS 48 -12.920 -3.532 -17.636 1077 HA CYS 48 HA CYS 48 -14.959 -1.529 -17.411 1078 1HB CYS 48 2HB CYS 48 -15.927 -2.807 -19.333 1079 2HB CYS 48 1HB CYS 48 -14.206 -2.470 -19.529 1080 HG CYS 48 HG CYS 48 -14.797 -5.198 -18.244 1081 H LEU 49 HN LEU 49 -16.857 -1.571 -16.331 1082 HA LEU 49 HA LEU 49 -18.226 -4.144 -15.862 1083 1HB LEU 49 2HB LEU 49 -18.547 -3.384 -13.418 1084 2HB LEU 49 1HB LEU 49 -16.941 -3.967 -13.856 1085 HG LEU 49 HG LEU 49 -17.145 -1.147 -14.431 1086 1HD1 LEU 49 1HD1 LEU 49 -18.449 -2.077 -11.985 1087 2HD1 LEU 49 2HD1 LEU 49 -18.469 -0.477 -12.726 1088 3HD1 LEU 49 3HD1 LEU 49 -17.141 -0.938 -11.659 1089 1HD2 LEU 49 1HD2 LEU 49 -14.996 -1.239 -13.672 1090 2HD2 LEU 49 2HD2 LEU 49 -15.242 -2.984 -13.600 1091 3HD2 LEU 49 3HD2 LEU 49 -15.484 -2.000 -12.157 1092 H THR 50 HN THR 50 -20.538 -3.797 -15.501 1093 HA THR 50 HA THR 50 -21.377 -1.333 -16.875 1094 HB THR 50 HB THR 50 -22.857 -3.864 -16.098 1095 HG1 THR 50 HG1 THR 50 -21.757 -4.640 -17.689 1096 1HG2 THR 50 1HG2 THR 50 -24.429 -3.115 -17.916 1097 2HG2 THR 50 2HG2 THR 50 -23.570 -1.577 -17.958 1098 3HG2 THR 50 3HG2 THR 50 -24.434 -2.064 -16.501 1099 H VAL 51 HN VAL 51 -23.300 -0.139 -16.217 1100 HA VAL 51 HA VAL 51 -23.295 0.487 -13.357 1101 HB VAL 51 HB VAL 51 -25.059 1.522 -15.600 1102 1HG1 VAL 51 1HG1 VAL 51 -25.904 2.708 -13.880 1103 2HG1 VAL 51 2HG1 VAL 51 -24.378 3.588 -13.896 1104 3HG1 VAL 51 3HG1 VAL 51 -24.597 2.223 -12.801 1105 1HG2 VAL 51 1HG2 VAL 51 -22.173 1.895 -15.033 1106 2HG2 VAL 51 2HG2 VAL 51 -23.092 3.356 -15.399 1107 3HG2 VAL 51 3HG2 VAL 51 -23.055 2.025 -16.556 1108 H THR 52 HN THR 52 -24.508 -0.769 -11.985 1109 HA THR 52 HA THR 52 -26.828 -2.319 -12.814 1110 HB THR 52 HB THR 52 -26.931 -2.837 -10.451 1111 HG1 THR 52 HG1 THR 52 -26.689 -1.136 -9.245 1112 1HG2 THR 52 1HG2 THR 52 -24.744 -3.307 -11.975 1113 2HG2 THR 52 2HG2 THR 52 -24.909 -3.891 -10.319 1114 3HG2 THR 52 3HG2 THR 52 -24.004 -2.414 -10.647 1115 H GLU 53 HN GLU 53 -26.318 0.804 -11.158 1116 HA GLU 53 HA GLU 53 -28.925 1.777 -12.060 1117 1HB GLU 53 2HB GLU 53 -29.538 0.277 -10.198 1118 2HB GLU 53 1HB GLU 53 -28.435 1.149 -9.132 1119 1HG GLU 53 2HG GLU 53 -29.735 3.218 -9.473 1120 2HG GLU 53 1HG GLU 53 -30.841 2.347 -10.537 1121 H ILE 54 HN ILE 54 -29.156 4.062 -11.605 1122 HA ILE 54 HA ILE 54 -26.620 5.377 -10.667 1123 HB ILE 54 HB ILE 54 -28.884 6.219 -12.510 1124 1HG1 ILE 54 2HG1 ILE 54 -26.023 6.301 -13.288 1125 2HG1 ILE 54 1HG1 ILE 54 -26.705 4.693 -13.052 1126 1HG2 ILE 54 1HG2 ILE 54 -26.414 7.827 -11.834 1127 2HG2 ILE 54 2HG2 ILE 54 -27.938 8.049 -10.976 1128 3HG2 ILE 54 3HG2 ILE 54 -27.850 8.360 -12.709 1129 1HD1 ILE 54 1HD1 ILE 54 -28.144 4.888 -14.845 1130 2HD1 ILE 54 2HD1 ILE 54 -26.882 5.989 -15.403 1131 3HD1 ILE 54 3HD1 ILE 54 -28.333 6.630 -14.629 1132 H ASN 55 HN ASN 55 -26.704 6.648 -8.905 1133 HA ASN 55 HA ASN 55 -29.382 7.127 -7.643 1134 1HB ASN 55 2HB ASN 55 -26.558 6.808 -6.607 1135 2HB ASN 55 1HB ASN 55 -27.851 7.446 -5.592 1136 1HD2 ASN 55 1HD2 ASN 55 -26.639 4.544 -7.191 1137 2HD2 ASN 55 2HD2 ASN 55 -27.744 3.469 -6.480 1138 H GLY 56 HN GLY 56 -29.250 8.925 -9.455 1139 1HA GLY 56 2HA GLY 56 -29.195 11.275 -9.778 1140 2HA GLY 56 1HA GLY 56 -28.471 11.448 -8.176 1141 H ASN 57 HN ASN 57 -26.370 12.097 -8.208 1142 HA ASN 57 HA ASN 57 -24.823 11.971 -10.687 1143 1HB ASN 57 2HB ASN 57 -23.682 13.646 -9.662 1144 2HB ASN 57 1HB ASN 57 -24.929 13.563 -8.437 1145 1HD2 ASN 57 1HD2 ASN 57 -21.890 11.945 -9.298 1146 2HD2 ASN 57 2HD2 ASN 57 -21.338 11.726 -7.708 1147 H HIS 58 HN HIS 58 -25.285 10.000 -7.878 1148 HA HIS 58 HA HIS 58 -22.724 8.624 -7.951 1149 1HB HIS 58 2HB HIS 58 -25.409 8.264 -6.659 1150 2HB HIS 58 1HB HIS 58 -24.218 6.971 -6.561 1151 HD1 HIS 58 HD1 HIS 58 -25.305 9.443 -4.448 1152 HD2 HIS 58 HD2 HIS 58 -21.487 8.567 -5.883 1153 HE1 HIS 58 HE1 HIS 58 -23.665 10.462 -2.810 1154 H VAL 59 HN VAL 59 -22.472 6.357 -8.570 1155 HA VAL 59 HA VAL 59 -24.673 5.229 -10.204 1156 HB VAL 59 HB VAL 59 -21.825 5.724 -11.089 1157 1HG1 VAL 59 1HG1 VAL 59 -22.083 3.603 -11.969 1158 2HG1 VAL 59 2HG1 VAL 59 -22.908 4.531 -13.224 1159 3HG1 VAL 59 3HG1 VAL 59 -23.843 3.712 -11.972 1160 1HG2 VAL 59 1HG2 VAL 59 -22.895 7.545 -11.925 1161 2HG2 VAL 59 2HG2 VAL 59 -24.486 6.856 -11.590 1162 3HG2 VAL 59 3HG2 VAL 59 -23.631 6.428 -13.076 1163 H SER 60 HN SER 60 -25.038 3.216 -9.426 1164 HA SER 60 HA SER 60 -22.944 1.772 -7.899 1165 1HB SER 60 2HB SER 60 -25.588 2.006 -7.555 1166 2HB SER 60 1HB SER 60 -25.586 0.612 -8.631 1167 HG SER 60 HG SER 60 -25.438 0.022 -6.414 1168 H PHE 61 HN PHE 61 -21.753 0.141 -8.821 1169 HA PHE 61 HA PHE 61 -22.696 -0.910 -11.479 1170 1HB PHE 61 2HB PHE 61 -20.098 -1.144 -11.829 1171 2HB PHE 61 1HB PHE 61 -20.865 0.424 -12.059 1172 HD1 PHE 61 HD1 PHE 61 -20.867 2.083 -10.137 1173 HD2 PHE 61 HD2 PHE 61 -18.433 -1.460 -10.150 1174 HE1 PHE 61 HE1 PHE 61 -19.428 3.068 -8.374 1175 HE2 PHE 61 HE2 PHE 61 -16.991 -0.475 -8.386 1176 HZ PHE 61 HZ PHE 61 -17.488 1.790 -7.498 1177 H ASP 62 HN ASP 62 -22.082 -3.136 -11.905 1178 HA ASP 62 HA ASP 62 -22.296 -4.683 -9.427 1179 1HB ASP 62 2HB ASP 62 -22.869 -6.489 -11.010 1180 2HB ASP 62 1HB ASP 62 -23.747 -5.015 -11.415 1181 H LEU 63 HN LEU 63 -20.996 -6.408 -8.826 1182 HA LEU 63 HA LEU 63 -18.419 -6.887 -10.193 1183 1HB LEU 63 2HB LEU 63 -18.887 -4.913 -8.152 1184 2HB LEU 63 1HB LEU 63 -17.843 -6.167 -7.500 1185 HG LEU 63 HG LEU 63 -17.045 -5.492 -10.199 1186 1HD1 LEU 63 1HD1 LEU 63 -17.038 -3.234 -10.198 1187 2HD1 LEU 63 2HD1 LEU 63 -16.371 -3.174 -8.566 1188 3HD1 LEU 63 3HD1 LEU 63 -18.117 -3.317 -8.802 1189 1HD2 LEU 63 1HD2 LEU 63 -15.414 -4.794 -7.787 1190 2HD2 LEU 63 2HD2 LEU 63 -14.925 -5.626 -9.263 1191 3HD2 LEU 63 3HD2 LEU 63 -15.829 -6.491 -8.023 1192 H MET 64 HN MET 64 -18.490 -9.148 -10.061 1193 HA MET 64 HA MET 64 -19.881 -10.581 -7.989 1194 1HB MET 64 2HB MET 64 -18.006 -11.150 -10.238 1195 2HB MET 64 1HB MET 64 -18.171 -12.404 -9.007 1196 1HG MET 64 2HG MET 64 -20.614 -12.375 -9.299 1197 2HG MET 64 1HG MET 64 -20.459 -11.112 -10.520 1198 1HE MET 64 1HE MET 64 -19.168 -12.672 -13.609 1199 2HE MET 64 2HE MET 64 -18.342 -11.610 -12.471 1200 3HE MET 64 3HE MET 64 -20.055 -11.369 -12.805 1201 H LYS 65 HN LYS 65 -19.112 -11.401 -6.032 1202 HA LYS 65 HA LYS 65 -16.938 -10.149 -4.716 1203 1HB LYS 65 2HB LYS 65 -18.859 -11.239 -3.626 1204 2HB LYS 65 1HB LYS 65 -18.312 -12.810 -4.212 1205 1HG LYS 65 2HG LYS 65 -17.623 -12.460 -1.870 1206 2HG LYS 65 1HG LYS 65 -16.218 -12.561 -2.929 1207 1HD LYS 65 2HD LYS 65 -16.006 -10.137 -2.961 1208 2HD LYS 65 1HD LYS 65 -17.490 -9.963 -2.023 1209 1HE LYS 65 2HE LYS 65 -16.349 -11.368 -0.206 1210 2HE LYS 65 1HE LYS 65 -14.841 -11.114 -1.106 1211 1HZ LYS 65 1HZ LYS 65 -15.751 -9.372 0.678 1212 2HZ LYS 65 2HZ LYS 65 -16.527 -8.775 -0.711 1213 3HZ LYS 65 3HZ LYS 65 -14.834 -8.910 -0.671 1214 H GLU 66 HN GLU 66 -17.120 -13.460 -6.098 1215 HA GLU 66 HA GLU 66 -14.343 -14.075 -5.615 1216 1HB GLU 66 2HB GLU 66 -16.119 -15.745 -6.036 1217 2HB GLU 66 1HB GLU 66 -16.331 -15.111 -7.668 1218 1HG GLU 66 2HG GLU 66 -13.996 -15.702 -8.207 1219 2HG GLU 66 1HG GLU 66 -13.782 -16.340 -6.576 1220 H THR 67 HN THR 67 -16.088 -12.664 -8.383 1221 HA THR 67 HA THR 67 -13.834 -12.389 -10.155 1222 HB THR 67 HB THR 67 -16.295 -10.662 -9.728 1223 HG1 THR 67 HG1 THR 67 -16.660 -12.087 -11.799 1224 1HG2 THR 67 1HG2 THR 67 -15.396 -9.344 -11.314 1225 2HG2 THR 67 2HG2 THR 67 -15.508 -10.703 -12.431 1226 3HG2 THR 67 3HG2 THR 67 -14.028 -10.439 -11.510 1227 H LEU 68 HN LEU 68 -15.126 -10.380 -7.521 1228 HA LEU 68 HA LEU 68 -13.453 -8.107 -7.827 1229 1HB LEU 68 2HB LEU 68 -15.479 -8.306 -6.422 1230 2HB LEU 68 1HB LEU 68 -14.645 -9.453 -5.379 1231 HG LEU 68 HG LEU 68 -12.864 -7.512 -5.191 1232 1HD1 LEU 68 1HD1 LEU 68 -13.670 -5.845 -6.614 1233 2HD1 LEU 68 2HD1 LEU 68 -14.363 -5.341 -5.072 1234 3HD1 LEU 68 3HD1 LEU 68 -15.355 -6.207 -6.242 1235 1HD2 LEU 68 1HD2 LEU 68 -15.032 -8.455 -3.664 1236 2HD2 LEU 68 2HD2 LEU 68 -15.131 -6.695 -3.583 1237 3HD2 LEU 68 3HD2 LEU 68 -13.656 -7.519 -3.079 1238 H ARG 69 HN ARG 69 -13.001 -11.125 -5.973 1239 HA ARG 69 HA ARG 69 -10.372 -10.467 -4.942 1240 1HB ARG 69 2HB ARG 69 -11.882 -12.148 -3.978 1241 2HB ARG 69 1HB ARG 69 -11.811 -13.085 -5.469 1242 1HG ARG 69 2HG ARG 69 -9.383 -13.397 -5.163 1243 2HG ARG 69 1HG ARG 69 -9.453 -12.462 -3.668 1244 1HD ARG 69 2HD ARG 69 -10.941 -14.112 -2.651 1245 2HD ARG 69 1HD ARG 69 -11.001 -15.028 -4.169 1246 HE ARG 69 HE ARG 69 -8.272 -14.695 -3.558 1247 1HH1 ARG 69 1HH1 ARG 69 -11.093 -16.138 -2.176 1248 2HH1 ARG 69 2HH1 ARG 69 -10.213 -17.397 -1.379 1249 1HH2 ARG 69 1HH2 ARG 69 -7.119 -16.337 -2.526 1250 2HH2 ARG 69 2HH2 ARG 69 -7.968 -17.511 -1.576 1251 H ILE 70 HN ILE 70 -11.539 -12.222 -7.821 1252 HA ILE 70 HA ILE 70 -9.010 -13.195 -8.699 1253 HB ILE 70 HB ILE 70 -11.670 -13.402 -9.344 1254 1HG1 ILE 70 2HG1 ILE 70 -9.402 -14.292 -11.132 1255 2HG1 ILE 70 1HG1 ILE 70 -9.805 -15.068 -9.599 1256 1HG2 ILE 70 1HG2 ILE 70 -11.828 -11.524 -10.794 1257 2HG2 ILE 70 2HG2 ILE 70 -11.705 -12.927 -11.850 1258 3HG2 ILE 70 3HG2 ILE 70 -10.296 -11.904 -11.577 1259 1HD1 ILE 70 1HD1 ILE 70 -11.170 -16.363 -10.884 1260 2HD1 ILE 70 2HD1 ILE 70 -11.213 -15.187 -12.196 1261 3HD1 ILE 70 3HD1 ILE 70 -12.260 -14.979 -10.792 1262 H THR 71 HN THR 71 -10.818 -10.253 -9.481 1263 HA THR 71 HA THR 71 -8.612 -9.172 -11.121 1264 HB THR 71 HB THR 71 -10.181 -7.372 -11.519 1265 HG1 THR 71 HG1 THR 71 -11.907 -8.477 -9.592 1266 1HG2 THR 71 1HG2 THR 71 -12.016 -9.726 -11.237 1267 2HG2 THR 71 2HG2 THR 71 -10.668 -9.801 -12.372 1268 3HG2 THR 71 3HG2 THR 71 -11.901 -8.551 -12.547 1269 H ASN 72 HN ASN 72 -8.367 -6.620 -10.462 1270 HA ASN 72 HA ASN 72 -7.568 -6.562 -7.589 1271 1HB ASN 72 2HB ASN 72 -5.764 -5.969 -8.987 1272 2HB ASN 72 1HB ASN 72 -6.797 -5.110 -10.118 1273 1HD2 ASN 72 1HD2 ASN 72 -5.663 -3.070 -9.968 1274 2HD2 ASN 72 2HD2 ASN 72 -5.643 -2.151 -8.537 1275 H LEU 73 HN LEU 73 -10.362 -6.304 -8.904 1276 HA LEU 73 HA LEU 73 -11.223 -3.561 -8.555 1277 1HB LEU 73 2HB LEU 73 -12.616 -6.258 -8.541 1278 2HB LEU 73 1HB LEU 73 -13.470 -4.717 -8.549 1279 HG LEU 73 HG LEU 73 -11.423 -5.489 -10.653 1280 1HD1 LEU 73 1HD1 LEU 73 -14.379 -5.454 -11.150 1281 2HD1 LEU 73 2HD1 LEU 73 -13.648 -6.890 -10.432 1282 3HD1 LEU 73 3HD1 LEU 73 -13.111 -6.324 -12.013 1283 1HD2 LEU 73 1HD2 LEU 73 -13.450 -3.265 -10.325 1284 2HD2 LEU 73 2HD2 LEU 73 -12.732 -3.659 -11.887 1285 3HD2 LEU 73 3HD2 LEU 73 -11.708 -3.119 -10.557 1286 H GLY 74 HN GLY 74 -11.179 -6.441 -6.442 1287 1HA GLY 74 2HA GLY 74 -12.679 -5.538 -4.298 1288 2HA GLY 74 1HA GLY 74 -11.292 -6.602 -4.110 1289 H ASP 75 HN ASP 75 -9.552 -4.411 -5.316 1290 HA ASP 75 HA ASP 75 -8.538 -3.394 -2.870 1291 1HB ASP 75 2HB ASP 75 -7.080 -2.119 -4.322 1292 2HB ASP 75 1HB ASP 75 -7.407 -3.658 -5.119 1293 H LEU 76 HN LEU 76 -11.170 -2.291 -4.817 1294 HA LEU 76 HA LEU 76 -11.133 0.507 -4.261 1295 1HB LEU 76 2HB LEU 76 -13.413 -1.421 -4.743 1296 2HB LEU 76 1HB LEU 76 -13.536 0.330 -4.872 1297 HG LEU 76 HG LEU 76 -11.623 -1.382 -6.482 1298 1HD1 LEU 76 1HD1 LEU 76 -14.395 -1.017 -6.816 1299 2HD1 LEU 76 2HD1 LEU 76 -13.260 -1.659 -8.005 1300 3HD1 LEU 76 3HD1 LEU 76 -13.636 0.066 -7.983 1301 1HD2 LEU 76 1HD2 LEU 76 -11.642 1.377 -5.842 1302 2HD2 LEU 76 2HD2 LEU 76 -12.192 1.252 -7.515 1303 3HD2 LEU 76 3HD2 LEU 76 -10.637 0.565 -7.045 1304 H LYS 77 HN LYS 77 -11.954 1.700 -2.605 1305 HA LYS 77 HA LYS 77 -13.513 0.374 -0.441 1306 1HB LYS 77 2HB LYS 77 -10.930 1.938 -0.084 1307 2HB LYS 77 1HB LYS 77 -11.983 1.445 1.243 1308 1HG LYS 77 2HG LYS 77 -11.692 -0.920 0.601 1309 2HG LYS 77 1HG LYS 77 -10.636 -0.429 -0.725 1310 1HD LYS 77 2HD LYS 77 -9.071 0.585 0.892 1311 2HD LYS 77 1HD LYS 77 -10.124 0.092 2.220 1312 1HE LYS 77 2HE LYS 77 -9.807 -2.288 0.893 1313 2HE LYS 77 1HE LYS 77 -8.223 -1.528 0.644 1314 1HZ LYS 77 1HZ LYS 77 -9.487 -1.329 3.283 1315 2HZ LYS 77 2HZ LYS 77 -7.838 -1.355 2.877 1316 3HZ LYS 77 3HZ LYS 77 -8.743 -2.793 2.860 1317 H VAL 78 HN VAL 78 -14.961 1.837 0.545 1318 HA VAL 78 HA VAL 78 -15.748 4.082 -1.015 1319 HB VAL 78 HB VAL 78 -16.368 3.484 1.893 1320 1HG1 VAL 78 1HG1 VAL 78 -17.940 5.099 1.722 1321 2HG1 VAL 78 2HG1 VAL 78 -18.525 4.445 0.189 1322 3HG1 VAL 78 3HG1 VAL 78 -17.168 5.583 0.210 1323 1HG2 VAL 78 1HG2 VAL 78 -17.679 1.752 1.232 1324 2HG2 VAL 78 2HG2 VAL 78 -16.651 1.740 -0.202 1325 3HG2 VAL 78 3HG2 VAL 78 -18.197 2.584 -0.233 1326 H GLY 79 HN GLY 79 -15.580 6.316 -0.597 1327 1HA GLY 79 2HA GLY 79 -14.678 8.272 0.448 1328 2HA GLY 79 1HA GLY 79 -13.749 7.235 1.534 1329 H ASP 80 HN ASP 80 -13.168 5.666 -1.136 1330 HA ASP 80 HA ASP 80 -10.723 7.222 -1.829 1331 1HB ASP 80 2HB ASP 80 -10.789 4.733 -1.236 1332 2HB ASP 80 1HB ASP 80 -11.614 4.483 -2.770 1333 H TRP 81 HN TRP 81 -10.239 7.434 -4.195 1334 HA TRP 81 HA TRP 81 -12.761 7.672 -5.804 1335 1HB TRP 81 2HB TRP 81 -10.167 9.230 -5.822 1336 2HB TRP 81 1HB TRP 81 -11.349 9.351 -7.119 1337 HD1 TRP 81 HD1 TRP 81 -11.829 9.257 -3.274 1338 HE1 TRP 81 HE1 TRP 81 -13.305 11.250 -2.609 1339 HE3 TRP 81 HE3 TRP 81 -12.418 11.478 -7.836 1340 HZ2 TRP 81 HZ2 TRP 81 -14.563 13.505 -3.836 1341 HZ3 TRP 81 HZ3 TRP 81 -13.761 13.553 -8.058 1342 HH2 TRP 81 HH2 TRP 81 -14.833 14.566 -6.062 1343 H VAL 82 HN VAL 82 -12.607 7.026 -8.031 1344 HA VAL 82 HA VAL 82 -10.369 5.108 -8.611 1345 HB VAL 82 HB VAL 82 -12.365 3.858 -8.291 1346 1HG1 VAL 82 1HG1 VAL 82 -13.609 6.302 -9.423 1347 2HG1 VAL 82 2HG1 VAL 82 -14.177 5.258 -8.118 1348 3HG1 VAL 82 3HG1 VAL 82 -14.415 4.779 -9.800 1349 1HG2 VAL 82 1HG2 VAL 82 -12.890 4.291 -11.168 1350 2HG2 VAL 82 2HG2 VAL 82 -12.515 2.795 -10.307 1351 3HG2 VAL 82 3HG2 VAL 82 -11.217 3.900 -10.763 1352 H ASN 83 HN ASN 83 -9.681 5.030 -10.794 1353 HA ASN 83 HA ASN 83 -10.092 7.422 -12.465 1354 1HB ASN 83 2HB ASN 83 -8.355 5.061 -12.248 1355 2HB ASN 83 1HB ASN 83 -8.775 5.435 -13.906 1356 1HD2 ASN 83 1HD2 ASN 83 -8.952 8.332 -13.613 1357 2HD2 ASN 83 2HD2 ASN 83 -7.388 8.910 -13.304 1358 H VAL 84 HN VAL 84 -12.187 7.445 -13.368 1359 HA VAL 84 HA VAL 84 -13.232 4.824 -14.357 1360 HB VAL 84 HB VAL 84 -15.409 6.378 -14.399 1361 1HG1 VAL 84 1HG1 VAL 84 -14.299 5.349 -11.783 1362 2HG1 VAL 84 2HG1 VAL 84 -14.858 4.279 -13.072 1363 3HG1 VAL 84 3HG1 VAL 84 -15.985 5.402 -12.305 1364 1HG2 VAL 84 1HG2 VAL 84 -13.841 7.563 -12.098 1365 2HG2 VAL 84 2HG2 VAL 84 -15.421 8.059 -12.706 1366 3HG2 VAL 84 3HG2 VAL 84 -13.971 8.371 -13.660 1367 H GLU 85 HN GLU 85 -13.802 4.532 -16.437 1368 HA GLU 85 HA GLU 85 -13.566 6.861 -18.323 1369 1HB GLU 85 2HB GLU 85 -11.523 5.473 -18.296 1370 2HB GLU 85 1HB GLU 85 -12.492 4.034 -18.617 1371 1HG GLU 85 2HG GLU 85 -13.232 5.006 -20.760 1372 2HG GLU 85 1HG GLU 85 -12.261 6.445 -20.444 1373 H ARG 86 HN ARG 86 -15.159 6.900 -19.924 1374 HA ARG 86 HA ARG 86 -17.467 5.156 -19.537 1375 1HB ARG 86 2HB ARG 86 -17.614 7.572 -20.001 1376 2HB ARG 86 1HB ARG 86 -16.829 7.326 -21.563 1377 1HG ARG 86 2HG ARG 86 -18.684 5.861 -22.269 1378 2HG ARG 86 1HG ARG 86 -19.473 6.109 -20.711 1379 1HD ARG 86 2HD ARG 86 -19.638 8.534 -21.170 1380 2HD ARG 86 1HD ARG 86 -18.852 8.284 -22.743 1381 HE ARG 86 HE ARG 86 -21.068 6.474 -22.454 1382 1HH1 ARG 86 1HH1 ARG 86 -20.245 9.785 -23.006 1383 2HH1 ARG 86 2HH1 ARG 86 -21.689 10.127 -23.899 1384 1HH2 ARG 86 1HH2 ARG 86 -22.951 6.912 -23.616 1385 2HH2 ARG 86 2HH2 ARG 86 -23.218 8.504 -24.244 1386 H ALA 87 HN ALA 87 -18.028 3.383 -20.756 1387 HA ALA 87 HA ALA 87 -16.551 2.871 -23.322 1388 1HB ALA 87 1HB ALA 87 -16.069 1.614 -20.977 1389 2HB ALA 87 2HB ALA 87 -15.893 0.827 -22.543 1390 3HB ALA 87 3HB ALA 87 -17.368 0.601 -21.604 1391 H ALA 88 HN ALA 88 -17.781 1.870 -24.945 1392 HA ALA 88 HA ALA 88 -20.599 1.115 -24.357 1393 1HB ALA 88 1HB ALA 88 -19.929 3.667 -25.017 1394 2HB ALA 88 2HB ALA 88 -21.495 2.941 -25.390 1395 3HB ALA 88 3HB ALA 88 -20.222 2.980 -26.612 1396 H LYS 89 HN LYS 89 -17.853 0.252 -25.820 1397 HA LYS 89 HA LYS 89 -17.362 -1.407 -27.512 1398 1HB LYS 89 2HB LYS 89 -20.371 -1.749 -27.184 1399 2HB LYS 89 1HB LYS 89 -19.273 -2.924 -27.898 1400 1HG LYS 89 2HG LYS 89 -18.067 -3.154 -25.801 1401 2HG LYS 89 1HG LYS 89 -19.033 -1.873 -25.068 1402 1HD LYS 89 2HD LYS 89 -21.042 -3.202 -25.231 1403 2HD LYS 89 1HD LYS 89 -20.201 -4.446 -26.162 1404 1HE LYS 89 2HE LYS 89 -18.758 -3.956 -23.708 1405 2HE LYS 89 1HE LYS 89 -20.457 -4.320 -23.342 1406 1HZ LYS 89 1HZ LYS 89 -18.865 -6.281 -23.734 1407 2HZ LYS 89 2HZ LYS 89 -18.980 -5.868 -25.378 1408 3HZ LYS 89 3HZ LYS 89 -20.373 -6.307 -24.510 1409 H PHE 90 HN PHE 90 -18.487 1.438 -28.258 1410 HA PHE 90 HA PHE 90 -18.389 0.829 -31.125 1411 1HB PHE 90 2HB PHE 90 -20.522 1.808 -31.660 1412 2HB PHE 90 1HB PHE 90 -20.799 0.635 -30.377 1413 HD1 PHE 90 HD1 PHE 90 -21.845 1.284 -28.374 1414 HD2 PHE 90 HD2 PHE 90 -20.137 4.276 -30.944 1415 HE1 PHE 90 HE1 PHE 90 -22.812 3.064 -26.942 1416 HE2 PHE 90 HE2 PHE 90 -21.106 6.057 -29.514 1417 HZ PHE 90 HZ PHE 90 -22.443 5.451 -27.512 1418 H SER 91 HN SER 91 -18.056 2.784 -32.400 1419 HA SER 91 HA SER 91 -17.560 5.292 -30.874 1420 1HB SER 91 2HB SER 91 -15.582 3.902 -32.710 1421 2HB SER 91 1HB SER 91 -15.346 5.486 -31.976 1422 HG SER 91 HG SER 91 -14.824 3.113 -30.942 1423 H ASP 92 HN ASP 92 -17.767 7.179 -32.228 1424 HA ASP 92 HA ASP 92 -19.531 6.874 -34.489 1425 1HB ASP 92 2HB ASP 92 -19.366 8.793 -32.848 1426 2HB ASP 92 1HB ASP 92 -17.871 9.271 -33.653 1427 H GLU 93 HN GLU 93 -16.111 7.949 -34.263 1428 HA GLU 93 HA GLU 93 -15.575 6.866 -36.963 1429 1HB GLU 93 2HB GLU 93 -15.041 9.131 -37.830 1430 2HB GLU 93 1HB GLU 93 -16.729 9.004 -37.333 1431 1HG GLU 93 2HG GLU 93 -16.053 9.956 -35.094 1432 2HG GLU 93 1HG GLU 93 -14.458 10.268 -35.779 1433 H ILE 94 HN ILE 94 -14.153 5.861 -34.983 1434 HA ILE 94 HA ILE 94 -11.852 7.306 -34.050 1435 HB ILE 94 HB ILE 94 -12.413 4.391 -34.660 1436 1HG1 ILE 94 2HG1 ILE 94 -13.701 5.586 -32.835 1437 2HG1 ILE 94 1HG1 ILE 94 -12.763 4.200 -32.282 1438 1HG2 ILE 94 1HG2 ILE 94 -10.386 4.240 -32.925 1439 2HG2 ILE 94 2HG2 ILE 94 -9.950 5.771 -33.685 1440 3HG2 ILE 94 3HG2 ILE 94 -10.106 4.313 -34.666 1441 1HD1 ILE 94 1HD1 ILE 94 -11.066 5.583 -31.356 1442 2HD1 ILE 94 2HD1 ILE 94 -12.583 6.347 -30.880 1443 3HD1 ILE 94 3HD1 ILE 94 -11.644 7.007 -32.220 1444 H GLY 95 HN GLY 95 -12.416 5.333 -36.969 1445 1HA GLY 95 2HA GLY 95 -11.323 6.117 -39.084 1446 2HA GLY 95 1HA GLY 95 -9.902 6.490 -38.107 1447 H GLY 96 HN GLY 96 -8.427 4.862 -37.708 1448 1HA GLY 96 2HA GLY 96 -8.551 2.488 -39.321 1449 2HA GLY 96 1HA GLY 96 -7.350 2.805 -38.068 1450 H HIS 97 HN HIS 97 -9.087 3.069 -35.848 1451 HA HIS 97 HA HIS 97 -10.723 0.620 -35.679 1452 1HB HIS 97 2HB HIS 97 -7.942 0.569 -35.236 1453 2HB HIS 97 1HB HIS 97 -8.667 0.545 -33.628 1454 HD1 HIS 97 HD1 HIS 97 -9.966 -1.546 -32.935 1455 HD2 HIS 97 HD2 HIS 97 -8.686 -1.676 -36.899 1456 HE1 HIS 97 HE1 HIS 97 -10.384 -3.909 -33.745 1457 HN3 RBF 98 HN3 RBF 98 4.229 6.526 -13.213 1458 HC6 RBF 98 HC6 RBF 98 3.649 5.046 -19.993 1459 1HC7 RBF 98 1HC7 RBF 98 3.550 5.824 -22.745 1460 2HC7 RBF 98 2HC7 RBF 98 1.832 6.063 -23.130 1461 3HC7 RBF 98 3HC7 RBF 98 2.354 4.598 -22.273 1462 1HC8 RBF 98 1HC8 RBF 98 -0.033 8.657 -21.933 1463 2HC8 RBF 98 2HC8 RBF 98 0.337 7.130 -22.763 1464 3HC8 RBF 98 3HC8 RBF 98 1.467 8.496 -22.872 1465 HC9 RBF 98 HC9 RBF 98 0.639 8.987 -19.706 1466 1HC1 RBF 98 1HC1 RBF 98 1.046 10.122 -18.135 1467 2HC1 RBF 98 2HC1 RBF 98 1.112 10.007 -16.364 1468 HC2* RBF 98 HC2* RBF 98 -0.799 8.552 -16.297 1469 HO2* RBF 98 HO2* RBF 98 -1.662 7.630 -18.173 1470 HC3* RBF 98 HC3* RBF 98 -2.508 9.874 -17.636 1471 HO3* RBF 98 HO3* RBF 98 -0.950 10.380 -19.364 1472 HC4* RBF 98 HC4* RBF 98 -0.449 11.483 -16.067 1473 HO4* RBF 98 HO4* RBF 98 -2.249 9.503 -15.362 1474 1HC5 RBF 98 1HC5 RBF 98 -2.107 12.858 -17.285 1475 2HC5 RBF 98 2HC5 RBF 98 -3.424 11.906 -16.565 1476 HO5* RBF 98 HO5* RBF 98 -2.138 14.022 -15.504 1477 HN3 RBF 99 HN3 RBF 99 -18.744 -6.364 -12.246 1478 HC6 RBF 99 HC6 RBF 99 -18.389 -5.503 -19.148 1479 1HC7 RBF 99 1HC7 RBF 99 -18.375 -6.528 -21.819 1480 2HC7 RBF 99 2HC7 RBF 99 -16.670 -6.796 -22.237 1481 3HC7 RBF 99 3HC7 RBF 99 -17.172 -5.261 -21.499 1482 1HC8 RBF 99 1HC8 RBF 99 -14.755 -9.267 -20.871 1483 2HC8 RBF 99 2HC8 RBF 99 -15.158 -7.822 -21.823 1484 3HC8 RBF 99 3HC8 RBF 99 -16.285 -9.196 -21.771 1485 HC9 RBF 99 HC9 RBF 99 -15.352 -9.394 -18.601 1486 1HC1 RBF 99 1HC1 RBF 99 -15.703 -10.382 -16.921 1487 2HC1 RBF 99 2HC1 RBF 99 -15.713 -10.107 -15.167 1488 HC2* RBF 99 HC2* RBF 99 -13.810 -8.647 -15.293 1489 HO2* RBF 99 HO2* RBF 99 -13.009 -7.899 -17.274 1490 HC3* RBF 99 HC3* RBF 99 -12.135 -10.082 -16.563 1491 HO3* RBF 99 HO3* RBF 99 -13.746 -10.747 -18.186 1492 HC4* RBF 99 HC4* RBF 99 -14.136 -11.546 -14.789 1493 HO4* RBF 99 HO4* RBF 99 -12.323 -9.506 -14.324 1494 1HC5 RBF 99 1HC5 RBF 99 -12.509 -13.023 -15.929 1495 2HC5 RBF 99 2HC5 RBF 99 -11.175 -12.008 -15.342 1496 HO5* RBF 99 HO5* RBF 99 -12.417 -14.020 -14.052 Start of MODEL 12 1 1H MET 1 1HT MET 1 -14.305 -0.993 -30.511 2 2H MET 1 2HT MET 1 -12.968 -0.321 -29.709 3 3H MET 1 3HT MET 1 -14.544 0.125 -29.259 4 HA MET 1 HA MET 1 -14.991 -1.966 -28.291 5 1HB MET 1 2HB MET 1 -12.487 -2.723 -29.822 6 2HB MET 1 1HB MET 1 -13.249 -3.790 -28.642 7 1HG MET 1 2HG MET 1 -15.390 -3.590 -29.953 8 2HG MET 1 1HG MET 1 -14.491 -2.710 -31.188 9 1HE MET 1 1HE MET 1 -12.247 -3.338 -31.679 10 2HE MET 1 2HE MET 1 -12.236 -4.658 -32.845 11 3HE MET 1 3HE MET 1 -11.472 -4.875 -31.272 12 H PHE 2 HN PHE 2 -13.719 -3.026 -26.390 13 HA PHE 2 HA PHE 2 -11.274 -1.878 -25.449 14 1HB PHE 2 2HB PHE 2 -12.130 -0.290 -23.858 15 2HB PHE 2 1HB PHE 2 -12.900 0.088 -25.391 16 HD1 PHE 2 HD1 PHE 2 -13.432 -1.969 -22.291 17 HD2 PHE 2 HD2 PHE 2 -15.249 0.296 -25.470 18 HE1 PHE 2 HE1 PHE 2 -15.657 -2.263 -21.235 19 HE2 PHE 2 HE2 PHE 2 -17.468 -0.018 -24.419 20 HZ PHE 2 HZ PHE 2 -17.674 -1.292 -22.301 21 H THR 3 HN THR 3 -10.651 -2.971 -23.498 22 HA THR 3 HA THR 3 -12.718 -4.720 -22.258 23 HB THR 3 HB THR 3 -11.420 -6.672 -22.669 24 HG1 THR 3 HG1 THR 3 -9.281 -6.586 -23.189 25 1HG2 THR 3 1HG2 THR 3 -11.408 -6.805 -24.983 26 2HG2 THR 3 2HG2 THR 3 -10.684 -5.209 -25.176 27 3HG2 THR 3 3HG2 THR 3 -12.394 -5.355 -24.766 28 H GLY 4 HN GLY 4 -9.440 -3.334 -22.151 29 1HA GLY 4 2HA GLY 4 -8.011 -2.948 -20.327 30 2HA GLY 4 1HA GLY 4 -9.491 -2.486 -19.477 31 H ILE 5 HN ILE 5 -9.215 -5.687 -20.804 32 HA ILE 5 HA ILE 5 -9.674 -6.818 -18.147 33 HB ILE 5 HB ILE 5 -9.152 -8.115 -20.843 34 1HG1 ILE 5 2HG1 ILE 5 -11.005 -6.491 -20.897 35 2HG1 ILE 5 1HG1 ILE 5 -11.615 -8.138 -21.038 36 1HG2 ILE 5 1HG2 ILE 5 -10.578 -9.935 -19.822 37 2HG2 ILE 5 2HG2 ILE 5 -10.417 -9.103 -18.275 38 3HG2 ILE 5 3HG2 ILE 5 -8.988 -9.752 -19.080 39 1HD1 ILE 5 1HD1 ILE 5 -12.039 -8.119 -18.567 40 2HD1 ILE 5 2HD1 ILE 5 -12.998 -6.930 -19.448 41 3HD1 ILE 5 3HD1 ILE 5 -11.574 -6.419 -18.542 42 H VAL 6 HN VAL 6 -8.100 -7.433 -16.761 43 HA VAL 6 HA VAL 6 -5.306 -7.213 -17.552 44 HB VAL 6 HB VAL 6 -6.946 -7.555 -15.072 45 1HG1 VAL 6 1HG1 VAL 6 -4.996 -7.905 -13.676 46 2HG1 VAL 6 2HG1 VAL 6 -3.933 -7.856 -15.079 47 3HG1 VAL 6 3HG1 VAL 6 -5.047 -9.203 -14.869 48 1HG2 VAL 6 1HG2 VAL 6 -4.724 -5.739 -14.927 49 2HG2 VAL 6 2HG2 VAL 6 -6.449 -5.368 -14.925 50 3HG2 VAL 6 3HG2 VAL 6 -5.575 -5.491 -16.451 51 H GLN 7 HN GLN 7 -3.794 -8.865 -17.723 52 HA GLN 7 HA GLN 7 -4.863 -11.591 -18.076 53 1HB GLN 7 2HB GLN 7 -2.740 -11.960 -19.167 54 2HB GLN 7 1HB GLN 7 -3.308 -10.362 -19.655 55 1HG GLN 7 2HG GLN 7 -1.903 -9.349 -17.864 56 2HG GLN 7 1HG GLN 7 -1.281 -10.955 -17.478 57 1HE2 GLN 7 1HE2 GLN 7 0.543 -11.613 -18.643 58 2HE2 GLN 7 2HE2 GLN 7 1.091 -10.884 -20.073 59 H GLY 8 HN GLY 8 -3.171 -9.800 -15.600 60 1HA GLY 8 2HA GLY 8 -2.966 -12.259 -13.985 61 2HA GLY 8 1HA GLY 8 -1.422 -11.528 -14.419 62 H THR 9 HN THR 9 -1.773 -11.586 -11.801 63 HA THR 9 HA THR 9 -2.662 -8.809 -11.096 64 HB THR 9 HB THR 9 -3.072 -10.046 -8.798 65 HG1 THR 9 HG1 THR 9 -2.627 -12.080 -9.010 66 1HG2 THR 9 1HG2 THR 9 -5.365 -10.814 -9.820 67 2HG2 THR 9 2HG2 THR 9 -4.758 -10.042 -11.283 68 3HG2 THR 9 3HG2 THR 9 -4.954 -9.097 -9.806 69 H ALA 10 HN ALA 10 -1.550 -8.038 -9.051 70 HA ALA 10 HA ALA 10 1.250 -9.088 -8.804 71 1HB ALA 10 1HB ALA 10 1.908 -7.301 -10.024 72 2HB ALA 10 2HB ALA 10 1.285 -6.257 -8.746 73 3HB ALA 10 3HB ALA 10 0.249 -6.699 -10.105 74 H LYS 11 HN LYS 11 2.216 -8.630 -6.780 75 HA LYS 11 HA LYS 11 0.287 -7.733 -4.667 76 1HB LYS 11 2HB LYS 11 1.255 -9.999 -4.515 77 2HB LYS 11 1HB LYS 11 2.871 -9.305 -4.553 78 1HG LYS 11 2HG LYS 11 2.490 -8.132 -2.469 79 2HG LYS 11 1HG LYS 11 0.801 -8.638 -2.449 80 1HD LYS 11 2HD LYS 11 1.302 -10.732 -1.711 81 2HD LYS 11 1HD LYS 11 2.766 -10.835 -2.691 82 1HE LYS 11 2HE LYS 11 3.837 -9.182 -1.066 83 2HE LYS 11 1HE LYS 11 2.427 -9.443 -0.017 84 1HZ LYS 11 1HZ LYS 11 2.911 -11.924 -0.500 85 2HZ LYS 11 2HZ LYS 11 3.844 -11.114 0.667 86 3HZ LYS 11 3HZ LYS 11 4.470 -11.381 -0.890 87 H LEU 12 HN LEU 12 0.616 -5.605 -4.098 88 HA LEU 12 HA LEU 12 3.047 -4.101 -4.471 89 1HB LEU 12 2HB LEU 12 0.565 -3.412 -3.904 90 2HB LEU 12 1HB LEU 12 1.063 -3.679 -2.248 91 HG LEU 12 HG LEU 12 2.863 -2.050 -2.479 92 1HD1 LEU 12 1HD1 LEU 12 3.579 -2.302 -4.727 93 2HD1 LEU 12 2HD1 LEU 12 2.853 -0.696 -4.682 94 3HD1 LEU 12 3HD1 LEU 12 1.952 -2.053 -5.360 95 1HD2 LEU 12 1HD2 LEU 12 0.976 -0.266 -3.664 96 2HD2 LEU 12 2HD2 LEU 12 1.315 -0.498 -1.949 97 3HD2 LEU 12 3HD2 LEU 12 0.065 -1.460 -2.740 98 H VAL 13 HN VAL 13 4.900 -4.294 -3.310 99 HA VAL 13 HA VAL 13 4.750 -5.666 -0.652 100 HB VAL 13 HB VAL 13 5.519 -7.277 -2.196 101 1HG1 VAL 13 1HG1 VAL 13 6.207 -6.606 -4.221 102 2HG1 VAL 13 2HG1 VAL 13 7.766 -6.223 -3.485 103 3HG1 VAL 13 3HG1 VAL 13 6.532 -4.976 -3.625 104 1HG2 VAL 13 1HG2 VAL 13 7.146 -6.379 -0.179 105 2HG2 VAL 13 2HG2 VAL 13 8.236 -6.357 -1.563 106 3HG2 VAL 13 3HG2 VAL 13 7.426 -7.857 -1.103 107 H SER 14 HN SER 14 6.363 -3.337 -2.730 108 HA SER 14 HA SER 14 7.503 -2.082 -0.256 109 1HB SER 14 2HB SER 14 8.931 -3.727 -1.925 110 2HB SER 14 1HB SER 14 9.300 -2.137 -2.581 111 HG SER 14 HG SER 14 9.912 -1.500 -0.478 112 H ILE 15 HN ILE 15 7.506 0.150 -0.340 113 HA ILE 15 HA ILE 15 6.848 1.440 -2.974 114 HB ILE 15 HB ILE 15 6.578 2.652 -0.215 115 1HG1 ILE 15 2HG1 ILE 15 4.574 1.063 -1.837 116 2HG1 ILE 15 1HG1 ILE 15 5.212 0.670 -0.241 117 1HG2 ILE 15 1HG2 ILE 15 6.295 4.441 -1.600 118 2HG2 ILE 15 2HG2 ILE 15 4.682 3.768 -1.852 119 3HG2 ILE 15 3HG2 ILE 15 5.972 3.426 -3.005 120 1HD1 ILE 15 1HD1 ILE 15 4.163 3.317 -0.115 121 2HD1 ILE 15 2HD1 ILE 15 3.568 1.879 0.711 122 3HD1 ILE 15 3HD1 ILE 15 2.948 2.298 -0.886 123 H ASP 16 HN ASP 16 8.324 2.865 -3.766 124 HA ASP 16 HA ASP 16 10.648 3.603 -2.040 125 1HB ASP 16 2HB ASP 16 10.315 3.049 -4.977 126 2HB ASP 16 1HB ASP 16 11.668 4.025 -4.405 127 H GLU 17 HN GLU 17 10.346 5.675 -1.306 128 HA GLU 17 HA GLU 17 8.822 7.581 -3.028 129 1HB GLU 17 2HB GLU 17 8.035 7.110 -0.736 130 2HB GLU 17 1HB GLU 17 9.598 7.611 -0.092 131 1HG GLU 17 2HG GLU 17 9.263 9.872 -1.023 132 2HG GLU 17 1HG GLU 17 7.696 9.375 -1.663 133 H LYS 18 HN LYS 18 10.073 8.978 -4.207 134 HA LYS 18 HA LYS 18 12.694 9.863 -3.046 135 1HB LYS 18 2HB LYS 18 11.923 9.865 -5.969 136 2HB LYS 18 1HB LYS 18 13.540 9.863 -5.266 137 1HG LYS 18 2HG LYS 18 12.534 7.561 -4.210 138 2HG LYS 18 1HG LYS 18 11.694 7.604 -5.762 139 1HD LYS 18 2HD LYS 18 13.744 6.444 -6.160 140 2HD LYS 18 1HD LYS 18 13.965 8.063 -6.825 141 1HE LYS 18 2HE LYS 18 15.871 8.100 -5.563 142 2HE LYS 18 1HE LYS 18 14.776 8.384 -4.195 143 1HZ LYS 18 1HZ LYS 18 15.469 5.690 -5.238 144 2HZ LYS 18 2HZ LYS 18 14.575 6.046 -3.838 145 3HZ LYS 18 3HZ LYS 18 16.234 6.410 -3.906 146 HA PRO 19 HA PRO 19 10.983 13.911 -2.814 147 1HB PRO 19 2HB PRO 19 13.381 15.262 -3.417 148 2HB PRO 19 1HB PRO 19 12.825 14.791 -1.801 149 1HG PRO 19 2HG PRO 19 14.801 13.486 -3.575 150 2HG PRO 19 1HG PRO 19 14.726 13.541 -1.807 151 1HD PRO 19 2HD PRO 19 14.087 11.329 -3.223 152 2HD PRO 19 1HD PRO 19 13.305 11.738 -1.678 153 H ASN 20 HN ASN 20 12.511 12.603 -5.627 154 HA ASN 20 HA ASN 20 11.650 14.944 -7.285 155 1HB ASN 20 2HB ASN 20 13.205 12.695 -8.468 156 2HB ASN 20 1HB ASN 20 13.425 14.428 -8.669 157 1HD2 ASN 20 1HD2 ASN 20 13.623 15.015 -5.784 158 2HD2 ASN 20 2HD2 ASN 20 15.094 14.369 -5.253 159 H PHE 21 HN PHE 21 11.102 11.570 -6.645 160 HA PHE 21 HA PHE 21 8.689 11.599 -8.344 161 1HB PHE 21 2HB PHE 21 10.983 9.679 -8.867 162 2HB PHE 21 1HB PHE 21 9.442 9.707 -9.719 163 HD1 PHE 21 HD1 PHE 21 12.780 11.009 -9.621 164 HD2 PHE 21 HD2 PHE 21 8.780 11.899 -10.922 165 HE1 PHE 21 HE1 PHE 21 13.670 12.704 -11.201 166 HE2 PHE 21 HE2 PHE 21 9.670 13.594 -12.501 167 HZ PHE 21 HZ PHE 21 12.115 13.997 -12.642 168 H ARG 22 HN ARG 22 7.245 9.881 -7.757 169 HA ARG 22 HA ARG 22 8.042 8.354 -5.325 170 1HB ARG 22 2HB ARG 22 5.947 9.643 -5.241 171 2HB ARG 22 1HB ARG 22 5.354 8.773 -6.655 172 1HG ARG 22 2HG ARG 22 5.447 6.656 -5.444 173 2HG ARG 22 1HG ARG 22 6.140 7.465 -4.039 174 1HD ARG 22 2HD ARG 22 4.081 8.814 -3.788 175 2HD ARG 22 1HD ARG 22 3.378 7.993 -5.198 176 HE ARG 22 HE ARG 22 4.162 5.885 -3.631 177 1HH1 ARG 22 1HH1 ARG 22 2.369 8.778 -3.030 178 2HH1 ARG 22 2HH1 ARG 22 1.404 8.069 -1.778 179 1HH2 ARG 22 1HH2 ARG 22 2.912 4.957 -2.002 180 2HH2 ARG 22 2HH2 ARG 22 1.711 5.910 -1.197 181 H THR 23 HN THR 23 8.080 6.142 -5.366 182 HA THR 23 HA THR 23 7.799 4.813 -8.032 183 HB THR 23 HB THR 23 9.947 4.619 -5.893 184 HG1 THR 23 HG1 THR 23 11.032 5.877 -7.182 185 1HG2 THR 23 1HG2 THR 23 9.090 2.594 -7.606 186 2HG2 THR 23 2HG2 THR 23 10.657 2.678 -6.801 187 3HG2 THR 23 3HG2 THR 23 10.474 3.297 -8.443 188 H HIS 24 HN HIS 24 6.850 2.754 -7.970 189 HA HIS 24 HA HIS 24 6.313 1.600 -5.262 190 1HB HIS 24 2HB HIS 24 4.531 2.565 -7.343 191 2HB HIS 24 1HB HIS 24 4.199 0.883 -6.918 192 HD1 HIS 24 HD1 HIS 24 2.859 3.897 -5.993 193 HD2 HIS 24 HD2 HIS 24 4.760 0.978 -3.703 194 HE1 HIS 24 HE1 HIS 24 2.164 4.293 -3.586 195 H VAL 25 HN VAL 25 6.471 -0.652 -5.124 196 HA VAL 25 HA VAL 25 7.210 -2.078 -7.653 197 HB VAL 25 HB VAL 25 8.249 -2.639 -4.873 198 1HG1 VAL 25 1HG1 VAL 25 9.568 -4.210 -5.856 199 2HG1 VAL 25 2HG1 VAL 25 9.857 -3.213 -7.282 200 3HG1 VAL 25 3HG1 VAL 25 8.366 -4.147 -7.145 201 1HG2 VAL 25 1HG2 VAL 25 9.627 -0.861 -5.004 202 2HG2 VAL 25 2HG2 VAL 25 8.787 -0.353 -6.469 203 3HG2 VAL 25 3HG2 VAL 25 10.204 -1.398 -6.582 204 H VAL 26 HN VAL 26 6.149 -3.970 -8.004 205 HA VAL 26 HA VAL 26 4.399 -5.040 -5.817 206 HB VAL 26 HB VAL 26 2.966 -5.770 -7.727 207 1HG1 VAL 26 1HG1 VAL 26 3.503 -2.871 -8.244 208 2HG1 VAL 26 2HG1 VAL 26 3.037 -3.346 -6.611 209 3HG1 VAL 26 3HG1 VAL 26 1.968 -3.693 -7.969 210 1HG2 VAL 26 1HG2 VAL 26 5.009 -5.857 -9.297 211 2HG2 VAL 26 2HG2 VAL 26 4.787 -4.116 -9.484 212 3HG2 VAL 26 3HG2 VAL 26 3.508 -5.227 -9.976 213 H GLU 27 HN GLU 27 3.946 -7.478 -6.228 214 HA GLU 27 HA GLU 27 6.521 -8.841 -6.825 215 1HB GLU 27 2HB GLU 27 4.902 -8.833 -4.656 216 2HB GLU 27 1HB GLU 27 4.184 -10.154 -5.568 217 1HG GLU 27 2HG GLU 27 6.106 -11.466 -5.453 218 2HG GLU 27 1HG GLU 27 7.158 -10.074 -5.206 219 H LEU 28 HN LEU 28 6.575 -9.726 -8.829 220 HA LEU 28 HA LEU 28 4.162 -10.071 -10.403 221 1HB LEU 28 2HB LEU 28 6.669 -9.344 -10.921 222 2HB LEU 28 1HB LEU 28 6.877 -11.072 -11.185 223 HG LEU 28 HG LEU 28 5.174 -11.087 -12.901 224 1HD1 LEU 28 1HD1 LEU 28 4.414 -8.577 -11.590 225 2HD1 LEU 28 2HD1 LEU 28 3.436 -9.669 -12.571 226 3HD1 LEU 28 3HD1 LEU 28 4.445 -8.448 -13.349 227 1HD2 LEU 28 1HD2 LEU 28 7.358 -10.348 -13.681 228 2HD2 LEU 28 2HD2 LEU 28 7.030 -8.700 -13.155 229 3HD2 LEU 28 3HD2 LEU 28 6.124 -9.393 -14.499 230 HA PRO 29 HA PRO 29 3.542 -14.290 -9.088 231 1HB PRO 29 2HB PRO 29 1.583 -14.860 -10.925 232 2HB PRO 29 1HB PRO 29 1.291 -14.007 -9.400 233 1HG PRO 29 2HG PRO 29 1.575 -12.920 -12.149 234 2HG PRO 29 1HG PRO 29 0.524 -12.392 -10.828 235 1HD PRO 29 2HD PRO 29 2.805 -11.093 -11.524 236 2HD PRO 29 1HD PRO 29 2.154 -11.100 -9.871 237 H ASP 30 HN ASP 30 3.331 -16.471 -10.379 238 HA ASP 30 HA ASP 30 5.755 -16.888 -11.752 239 1HB ASP 30 2HB ASP 30 3.151 -18.425 -11.633 240 2HB ASP 30 1HB ASP 30 4.622 -19.089 -12.346 241 H HIS 31 HN HIS 31 2.484 -16.387 -13.125 242 HA HIS 31 HA HIS 31 3.543 -16.831 -15.832 243 1HB HIS 31 2HB HIS 31 1.192 -16.670 -16.466 244 2HB HIS 31 1HB HIS 31 1.348 -17.690 -15.041 245 HD1 HIS 31 HD1 HIS 31 1.829 -14.672 -13.469 246 HD2 HIS 31 HD2 HIS 31 -1.524 -16.280 -15.347 247 HE1 HIS 31 HE1 HIS 31 -0.180 -13.452 -12.523 248 H MET 32 HN MET 32 3.614 -14.211 -13.822 249 HA MET 32 HA MET 32 3.550 -12.322 -16.154 250 1HB MET 32 2HB MET 32 3.175 -11.883 -13.177 251 2HB MET 32 1HB MET 32 3.330 -10.569 -14.344 252 1HG MET 32 2HG MET 32 1.199 -12.725 -14.389 253 2HG MET 32 1HG MET 32 0.958 -11.050 -13.891 254 1HE MET 32 1HE MET 32 1.195 -9.106 -15.157 255 2HE MET 32 2HE MET 32 1.211 -8.925 -16.910 256 3HE MET 32 3HE MET 32 2.699 -9.333 -16.061 257 H LEU 33 HN LEU 33 5.518 -14.035 -13.990 258 HA LEU 33 HA LEU 33 7.712 -12.165 -13.673 259 1HB LEU 33 2HB LEU 33 7.219 -15.114 -13.385 260 2HB LEU 33 1HB LEU 33 8.873 -14.505 -13.304 261 HG LEU 33 HG LEU 33 6.671 -13.260 -11.653 262 1HD1 LEU 33 1HD1 LEU 33 8.504 -15.170 -10.334 263 2HD1 LEU 33 2HD1 LEU 33 7.312 -15.909 -11.402 264 3HD1 LEU 33 3HD1 LEU 33 6.784 -14.892 -10.061 265 1HD2 LEU 33 1HD2 LEU 33 8.991 -12.215 -12.086 266 2HD2 LEU 33 2HD2 LEU 33 9.621 -13.512 -11.070 267 3HD2 LEU 33 3HD2 LEU 33 8.467 -12.354 -10.407 268 H ASP 34 HN ASP 34 6.913 -14.724 -15.984 269 HA ASP 34 HA ASP 34 9.404 -14.427 -17.482 270 1HB ASP 34 2HB ASP 34 6.787 -15.907 -17.806 271 2HB ASP 34 1HB ASP 34 8.102 -16.050 -18.978 272 H GLY 35 HN GLY 35 9.725 -12.977 -19.134 273 1HA GLY 35 2HA GLY 35 8.998 -12.054 -21.262 274 2HA GLY 35 1HA GLY 35 7.343 -12.040 -20.655 275 H LEU 36 HN LEU 36 7.660 -10.730 -18.211 276 HA LEU 36 HA LEU 36 7.688 -8.005 -19.108 277 1HB LEU 36 2HB LEU 36 6.434 -9.147 -17.171 278 2HB LEU 36 1HB LEU 36 7.928 -8.966 -16.251 279 HG LEU 36 HG LEU 36 6.815 -6.581 -17.690 280 1HD1 LEU 36 1HD1 LEU 36 5.351 -8.063 -15.741 281 2HD1 LEU 36 2HD1 LEU 36 4.952 -6.492 -16.435 282 3HD1 LEU 36 3HD1 LEU 36 5.926 -6.586 -14.967 283 1HD2 LEU 36 1HD2 LEU 36 8.795 -5.964 -16.692 284 2HD2 LEU 36 2HD2 LEU 36 8.672 -7.201 -15.441 285 3HD2 LEU 36 3HD2 LEU 36 7.729 -5.716 -15.309 286 H GLU 37 HN GLU 37 9.200 -6.337 -18.671 287 HA GLU 37 HA GLU 37 11.768 -7.022 -17.364 288 1HB GLU 37 2HB GLU 37 13.052 -6.481 -19.346 289 2HB GLU 37 1HB GLU 37 11.835 -7.667 -19.817 290 1HG GLU 37 2HG GLU 37 10.378 -5.851 -20.637 291 2HG GLU 37 1HG GLU 37 11.596 -4.664 -20.169 292 H THR 38 HN THR 38 13.155 -4.935 -17.278 293 HA THR 38 HA THR 38 11.535 -2.786 -16.247 294 HB THR 38 HB THR 38 14.074 -1.795 -16.652 295 HG1 THR 38 HG1 THR 38 15.405 -3.387 -16.909 296 1HG2 THR 38 1HG2 THR 38 14.434 -2.964 -14.310 297 2HG2 THR 38 2HG2 THR 38 12.719 -3.335 -14.484 298 3HG2 THR 38 3HG2 THR 38 13.264 -1.658 -14.492 299 H GLY 39 HN GLY 39 11.250 -0.660 -17.150 300 1HA GLY 39 2HA GLY 39 11.069 0.945 -18.884 301 2HA GLY 39 1HA GLY 39 12.049 -0.094 -19.915 302 H ALA 40 HN ALA 40 9.848 -2.137 -18.645 303 HA ALA 40 HA ALA 40 8.205 -2.222 -21.064 304 1HB ALA 40 1HB ALA 40 7.123 -4.075 -19.664 305 2HB ALA 40 2HB ALA 40 8.294 -3.672 -18.406 306 3HB ALA 40 3HB ALA 40 8.850 -4.267 -19.972 307 H SER 41 HN SER 41 5.771 -2.067 -20.928 308 HA SER 41 HA SER 41 4.973 0.016 -18.932 309 1HB SER 41 2HB SER 41 2.925 -0.108 -20.663 310 2HB SER 41 1HB SER 41 4.378 0.821 -21.011 311 HG SER 41 HG SER 41 5.077 -0.749 -22.337 312 H VAL 42 HN VAL 42 4.030 -0.855 -17.148 313 HA VAL 42 HA VAL 42 2.299 -3.272 -17.436 314 HB VAL 42 HB VAL 42 4.030 -2.085 -15.316 315 1HG1 VAL 42 1HG1 VAL 42 2.315 -1.983 -13.822 316 2HG1 VAL 42 2HG1 VAL 42 2.542 -3.731 -13.767 317 3HG1 VAL 42 3HG1 VAL 42 1.281 -3.037 -14.787 318 1HG2 VAL 42 1HG2 VAL 42 3.215 -4.919 -15.332 319 2HG2 VAL 42 2HG2 VAL 42 4.827 -4.216 -15.195 320 3HG2 VAL 42 3HG2 VAL 42 4.063 -4.368 -16.779 321 H ALA 43 HN ALA 43 0.123 -2.932 -17.341 322 HA ALA 43 HA ALA 43 -0.885 -0.272 -16.448 323 1HB ALA 43 1HB ALA 43 -2.840 -0.846 -17.655 324 2HB ALA 43 2HB ALA 43 -2.488 -2.572 -17.572 325 3HB ALA 43 3HB ALA 43 -1.540 -1.528 -18.631 326 H HIS 44 HN HIS 44 -1.456 -0.158 -14.322 327 HA HIS 44 HA HIS 44 -2.041 -2.641 -12.811 328 1HB HIS 44 2HB HIS 44 -1.338 0.209 -12.244 329 2HB HIS 44 1HB HIS 44 -2.251 -0.660 -11.009 330 HD1 HIS 44 HD1 HIS 44 0.515 -2.007 -13.289 331 HD2 HIS 44 HD2 HIS 44 -0.275 -1.424 -9.227 332 HE1 HIS 44 HE1 HIS 44 2.438 -3.062 -12.019 333 HE2 HIS 44 HE2 HIS 44 1.963 -2.713 -9.555 334 H ASN 45 HN ASN 45 -4.067 -3.310 -13.199 335 HA ASN 45 HA ASN 45 -6.371 -3.327 -13.572 336 1HB ASN 45 2HB ASN 45 -5.985 -1.935 -11.292 337 2HB ASN 45 1HB ASN 45 -6.717 -0.671 -12.284 338 1HD2 ASN 45 1HD2 ASN 45 -7.359 -3.636 -10.560 339 2HD2 ASN 45 2HD2 ASN 45 -8.992 -3.769 -10.976 340 H GLY 46 HN GLY 46 -4.299 -1.528 -15.180 341 1HA GLY 46 2HA GLY 46 -5.006 -1.117 -17.493 342 2HA GLY 46 1HA GLY 46 -6.466 -0.372 -16.858 343 H CYS 47 HN CYS 47 -4.020 0.719 -14.877 344 HA CYS 47 HA CYS 47 -3.727 3.220 -16.473 345 1HB CYS 47 2HB CYS 47 -4.366 3.313 -14.065 346 2HB CYS 47 1HB CYS 47 -2.854 2.511 -13.643 347 HG CYS 47 HG CYS 47 -3.146 5.449 -14.490 348 H CYS 48 HN CYS 48 -2.118 2.942 -17.983 349 HA CYS 48 HA CYS 48 -0.028 1.001 -17.662 350 1HB CYS 48 2HB CYS 48 0.732 2.019 -19.838 351 2HB CYS 48 1HB CYS 48 -0.980 1.591 -19.817 352 HG CYS 48 HG CYS 48 -0.035 4.305 -20.401 353 H LEU 49 HN LEU 49 1.938 1.232 -16.726 354 HA LEU 49 HA LEU 49 3.241 3.893 -16.711 355 1HB LEU 49 2HB LEU 49 3.830 3.379 -14.249 356 2HB LEU 49 1HB LEU 49 2.173 3.877 -14.584 357 HG LEU 49 HG LEU 49 2.581 0.981 -14.828 358 1HD1 LEU 49 1HD1 LEU 49 3.716 2.409 -12.571 359 2HD1 LEU 49 2HD1 LEU 49 3.779 0.680 -12.948 360 3HD1 LEU 49 3HD1 LEU 49 2.414 1.333 -12.040 361 1HD2 LEU 49 1HD2 LEU 49 0.454 2.630 -14.551 362 2HD2 LEU 49 2HD2 LEU 49 0.723 2.230 -12.855 363 3HD2 LEU 49 3HD2 LEU 49 0.417 0.946 -14.025 364 H THR 50 HN THR 50 5.618 3.666 -16.340 365 HA THR 50 HA THR 50 6.506 1.141 -17.597 366 HB THR 50 HB THR 50 7.970 3.757 -17.138 367 HG1 THR 50 HG1 THR 50 6.595 2.886 -19.453 368 1HG2 THR 50 1HG2 THR 50 9.135 1.473 -17.821 369 2HG2 THR 50 2HG2 THR 50 9.581 2.979 -18.621 370 3HG2 THR 50 3HG2 THR 50 8.468 1.860 -19.407 371 H VAL 51 HN VAL 51 8.253 -0.077 -16.851 372 HA VAL 51 HA VAL 51 8.547 -0.258 -13.964 373 HB VAL 51 HB VAL 51 10.070 -1.646 -16.189 374 1HG1 VAL 51 1HG1 VAL 51 11.048 -2.518 -14.331 375 2HG1 VAL 51 2HG1 VAL 51 9.585 -3.500 -14.274 376 3HG1 VAL 51 3HG1 VAL 51 9.712 -2.045 -13.283 377 1HG2 VAL 51 1HG2 VAL 51 8.157 -3.377 -15.791 378 2HG2 VAL 51 2HG2 VAL 51 7.867 -1.992 -16.844 379 3HG2 VAL 51 3HG2 VAL 51 7.264 -1.981 -15.185 380 H THR 52 HN THR 52 9.968 1.027 -12.849 381 HA THR 52 HA THR 52 12.237 2.388 -14.078 382 HB THR 52 HB THR 52 12.592 3.165 -11.796 383 HG1 THR 52 HG1 THR 52 12.339 1.301 -10.646 384 1HG2 THR 52 1HG2 THR 52 9.607 2.871 -12.172 385 2HG2 THR 52 2HG2 THR 52 10.587 3.987 -13.122 386 3HG2 THR 52 3HG2 THR 52 10.471 4.187 -11.374 387 H GLU 53 HN GLU 53 11.746 -0.459 -11.987 388 HA GLU 53 HA GLU 53 14.309 -1.608 -12.875 389 1HB GLU 53 2HB GLU 53 14.919 0.108 -11.175 390 2HB GLU 53 1HB GLU 53 13.891 -0.720 -10.006 391 1HG GLU 53 2HG GLU 53 15.252 -2.746 -10.197 392 2HG GLU 53 1HG GLU 53 16.259 -1.974 -11.424 393 H ILE 54 HN ILE 54 14.444 -3.842 -12.307 394 HA ILE 54 HA ILE 54 11.941 -5.011 -11.134 395 HB ILE 54 HB ILE 54 14.197 -6.051 -12.878 396 1HG1 ILE 54 2HG1 ILE 54 11.371 -6.452 -13.592 397 2HG1 ILE 54 1HG1 ILE 54 11.851 -4.758 -13.499 398 1HG2 ILE 54 1HG2 ILE 54 11.869 -7.613 -11.716 399 2HG2 ILE 54 2HG2 ILE 54 13.537 -7.745 -11.160 400 3HG2 ILE 54 3HG2 ILE 54 13.112 -8.240 -12.800 401 1HD1 ILE 54 1HD1 ILE 54 13.275 -4.922 -15.299 402 2HD1 ILE 54 2HD1 ILE 54 12.197 -6.251 -15.725 403 3HD1 ILE 54 3HD1 ILE 54 13.727 -6.584 -14.913 404 H ASN 55 HN ASN 55 12.046 -6.033 -9.203 405 HA ASN 55 HA ASN 55 14.727 -6.267 -7.892 406 1HB ASN 55 2HB ASN 55 11.909 -5.757 -6.936 407 2HB ASN 55 1HB ASN 55 13.170 -6.270 -5.813 408 1HD2 ASN 55 1HD2 ASN 55 11.999 -3.589 -7.748 409 2HD2 ASN 55 2HD2 ASN 55 13.162 -2.462 -7.240 410 H GLY 56 HN GLY 56 14.598 -8.367 -9.368 411 1HA GLY 56 2HA GLY 56 14.621 -10.742 -9.209 412 2HA GLY 56 1HA GLY 56 13.856 -10.614 -7.622 413 H ASN 57 HN ASN 57 11.793 -11.366 -7.593 414 HA ASN 57 HA ASN 57 10.259 -11.618 -10.082 415 1HB ASN 57 2HB ASN 57 9.125 -13.156 -8.850 416 2HB ASN 57 1HB ASN 57 10.369 -12.908 -7.645 417 1HD2 ASN 57 1HD2 ASN 57 7.327 -11.392 -8.702 418 2HD2 ASN 57 2HD2 ASN 57 6.770 -11.003 -7.146 419 H HIS 58 HN HIS 58 10.795 -9.260 -7.653 420 HA HIS 58 HA HIS 58 8.211 -7.928 -7.771 421 1HB HIS 58 2HB HIS 58 10.978 -7.357 -6.744 422 2HB HIS 58 1HB HIS 58 9.758 -6.084 -6.737 423 HD1 HIS 58 HD1 HIS 58 11.061 -8.256 -4.406 424 HD2 HIS 58 HD2 HIS 58 7.135 -7.590 -5.650 425 HE1 HIS 58 HE1 HIS 58 9.561 -9.083 -2.540 426 H VAL 59 HN VAL 59 7.905 -5.775 -8.687 427 HA VAL 59 HA VAL 59 9.992 -4.879 -10.581 428 HB VAL 59 HB VAL 59 7.101 -5.472 -11.238 429 1HG1 VAL 59 1HG1 VAL 59 9.003 -3.510 -12.376 430 2HG1 VAL 59 2HG1 VAL 59 7.240 -3.518 -12.419 431 3HG1 VAL 59 3HG1 VAL 59 8.156 -4.518 -13.549 432 1HG2 VAL 59 1HG2 VAL 59 8.115 -7.362 -11.975 433 2HG2 VAL 59 2HG2 VAL 59 9.722 -6.672 -11.729 434 3HG2 VAL 59 3HG2 VAL 59 8.846 -6.363 -13.232 435 H SER 60 HN SER 60 10.348 -2.756 -10.204 436 HA SER 60 HA SER 60 8.379 -1.159 -8.660 437 1HB SER 60 2HB SER 60 10.966 -1.441 -8.290 438 2HB SER 60 1HB SER 60 11.079 -0.256 -9.587 439 HG SER 60 HG SER 60 10.972 0.877 -7.696 440 H PHE 61 HN PHE 61 7.273 0.530 -9.635 441 HA PHE 61 HA PHE 61 8.223 1.410 -12.336 442 1HB PHE 61 2HB PHE 61 5.668 1.782 -12.737 443 2HB PHE 61 1HB PHE 61 6.330 0.156 -12.886 444 HD1 PHE 61 HD1 PHE 61 4.890 2.441 -10.265 445 HD2 PHE 61 HD2 PHE 61 5.293 -1.570 -11.755 446 HE1 PHE 61 HE1 PHE 61 3.329 1.632 -8.511 447 HE2 PHE 61 HE2 PHE 61 3.740 -2.379 -10.008 448 HZ PHE 61 HZ PHE 61 2.753 -0.782 -8.380 449 H ASP 62 HN ASP 62 7.683 3.629 -12.859 450 HA ASP 62 HA ASP 62 7.985 5.297 -10.450 451 1HB ASP 62 2HB ASP 62 8.610 7.001 -12.085 452 2HB ASP 62 1HB ASP 62 9.374 5.477 -12.532 453 H LEU 63 HN LEU 63 6.763 7.224 -10.061 454 HA LEU 63 HA LEU 63 4.115 7.509 -11.345 455 1HB LEU 63 2HB LEU 63 4.676 5.837 -9.083 456 2HB LEU 63 1HB LEU 63 3.695 7.190 -8.539 457 HG LEU 63 HG LEU 63 2.733 6.146 -11.077 458 1HD1 LEU 63 1HD1 LEU 63 2.482 3.922 -10.656 459 2HD1 LEU 63 2HD1 LEU 63 2.169 4.186 -8.940 460 3HD1 LEU 63 3HD1 LEU 63 3.831 4.160 -9.540 461 1HD2 LEU 63 1HD2 LEU 63 1.636 7.562 -9.115 462 2HD2 LEU 63 2HD2 LEU 63 1.247 5.968 -8.471 463 3HD2 LEU 63 3HD2 LEU 63 0.649 6.447 -10.060 464 H MET 64 HN MET 64 4.471 9.746 -11.650 465 HA MET 64 HA MET 64 5.825 11.484 -9.847 466 1HB MET 64 2HB MET 64 5.199 11.898 -12.250 467 2HB MET 64 1HB MET 64 3.528 12.115 -11.731 468 1HG MET 64 2HG MET 64 4.243 13.961 -10.240 469 2HG MET 64 1HG MET 64 5.900 13.765 -10.811 470 1HE MET 64 1HE MET 64 6.405 15.304 -13.822 471 2HE MET 64 2HE MET 64 5.778 13.715 -14.253 472 3HE MET 64 3HE MET 64 6.729 13.909 -12.783 473 H LYS 65 HN LYS 65 5.087 12.628 -8.041 474 HA LYS 65 HA LYS 65 3.005 11.542 -6.488 475 1HB LYS 65 2HB LYS 65 4.910 12.877 -5.662 476 2HB LYS 65 1HB LYS 65 4.246 14.312 -6.444 477 1HG LYS 65 2HG LYS 65 2.252 14.203 -5.041 478 2HG LYS 65 1HG LYS 65 2.822 12.705 -4.304 479 1HD LYS 65 2HD LYS 65 3.368 14.501 -2.789 480 2HD LYS 65 1HD LYS 65 4.873 13.967 -3.536 481 1HE LYS 65 2HE LYS 65 4.666 15.820 -5.205 482 2HE LYS 65 1HE LYS 65 3.232 16.397 -4.332 483 1HZ LYS 65 1HZ LYS 65 5.536 17.315 -3.664 484 2HZ LYS 65 2HZ LYS 65 5.729 15.823 -2.875 485 3HZ LYS 65 3HZ LYS 65 4.452 16.858 -2.443 486 H GLU 66 HN GLU 66 2.984 14.481 -8.534 487 HA GLU 66 HA GLU 66 0.234 15.157 -7.931 488 1HB GLU 66 2HB GLU 66 1.929 16.749 -8.778 489 2HB GLU 66 1HB GLU 66 2.041 15.832 -10.281 490 1HG GLU 66 2HG GLU 66 -0.341 16.283 -10.739 491 2HG GLU 66 1HG GLU 66 -0.454 17.203 -9.239 492 H THR 67 HN THR 67 1.808 13.307 -10.536 493 HA THR 67 HA THR 67 -0.572 12.695 -12.043 494 HB THR 67 HB THR 67 1.976 11.109 -11.561 495 HG1 THR 67 HG1 THR 67 2.419 12.127 -13.685 496 1HG2 THR 67 1HG2 THR 67 1.439 10.072 -13.739 497 2HG2 THR 67 2HG2 THR 67 -0.070 10.983 -13.793 498 3HG2 THR 67 3HG2 THR 67 0.174 9.757 -12.550 499 H LEU 68 HN LEU 68 0.998 11.201 -9.241 500 HA LEU 68 HA LEU 68 -0.600 8.877 -8.975 501 1HB LEU 68 2HB LEU 68 1.526 9.356 -7.820 502 2HB LEU 68 1HB LEU 68 0.767 10.688 -6.951 503 HG LEU 68 HG LEU 68 -0.949 8.803 -6.221 504 1HD1 LEU 68 1HD1 LEU 68 0.590 6.714 -5.800 505 2HD1 LEU 68 2HD1 LEU 68 1.496 7.339 -7.175 506 3HD1 LEU 68 3HD1 LEU 68 -0.202 6.904 -7.365 507 1HD2 LEU 68 1HD2 LEU 68 0.009 9.384 -4.269 508 2HD2 LEU 68 2HD2 LEU 68 1.423 9.980 -5.137 509 3HD2 LEU 68 3HD2 LEU 68 1.354 8.297 -4.612 510 H ARG 69 HN ARG 69 -0.966 12.140 -7.594 511 HA ARG 69 HA ARG 69 -3.452 11.608 -6.221 512 1HB ARG 69 2HB ARG 69 -1.760 13.436 -5.784 513 2HB ARG 69 1HB ARG 69 -2.331 14.230 -7.252 514 1HG ARG 69 2HG ARG 69 -3.522 15.209 -5.398 515 2HG ARG 69 1HG ARG 69 -4.659 14.178 -6.269 516 1HD ARG 69 2HD ARG 69 -5.056 13.433 -4.102 517 2HD ARG 69 1HD ARG 69 -3.714 12.353 -4.526 518 HE ARG 69 HE ARG 69 -2.741 14.889 -3.528 519 1HH1 ARG 69 1HH1 ARG 69 -4.091 11.834 -2.640 520 2HH1 ARG 69 2HH1 ARG 69 -3.369 11.829 -1.066 521 1HH2 ARG 69 1HH2 ARG 69 -1.797 14.890 -1.478 522 2HH2 ARG 69 2HH2 ARG 69 -2.073 13.555 -0.408 523 H ILE 70 HN ILE 70 -2.654 12.947 -9.426 524 HA ILE 70 HA ILE 70 -5.265 13.788 -10.150 525 HB ILE 70 HB ILE 70 -2.705 13.882 -11.123 526 1HG1 ILE 70 2HG1 ILE 70 -5.181 14.458 -12.756 527 2HG1 ILE 70 1HG1 ILE 70 -4.616 15.480 -11.434 528 1HG2 ILE 70 1HG2 ILE 70 -2.863 11.669 -12.183 529 2HG2 ILE 70 2HG2 ILE 70 -2.739 12.934 -13.403 530 3HG2 ILE 70 3HG2 ILE 70 -4.300 12.188 -13.063 531 1HD1 ILE 70 1HD1 ILE 70 -2.535 15.929 -12.577 532 2HD1 ILE 70 2HD1 ILE 70 -3.847 16.235 -13.715 533 3HD1 ILE 70 3HD1 ILE 70 -2.911 14.745 -13.828 534 H THR 71 HN THR 71 -3.531 10.757 -10.691 535 HA THR 71 HA THR 71 -5.830 9.458 -11.961 536 HB THR 71 HB THR 71 -4.279 7.591 -12.118 537 HG1 THR 71 HG1 THR 71 -3.179 8.866 -9.947 538 1HG2 THR 71 1HG2 THR 71 -2.348 9.818 -12.425 539 2HG2 THR 71 2HG2 THR 71 -3.866 9.973 -13.300 540 3HG2 THR 71 3HG2 THR 71 -2.826 8.573 -13.574 541 H ASN 72 HN ASN 72 -5.916 7.016 -10.895 542 HA ASN 72 HA ASN 72 -6.571 7.393 -8.005 543 1HB ASN 72 2HB ASN 72 -8.481 6.624 -9.150 544 2HB ASN 72 1HB ASN 72 -7.533 5.634 -10.253 545 1HD2 ASN 72 1HD2 ASN 72 -8.608 3.648 -9.806 546 2HD2 ASN 72 2HD2 ASN 72 -8.528 2.882 -8.293 547 H LEU 73 HN LEU 73 -3.899 6.934 -9.500 548 HA LEU 73 HA LEU 73 -2.998 4.258 -8.826 549 1HB LEU 73 2HB LEU 73 -1.645 6.913 -9.394 550 2HB LEU 73 1HB LEU 73 -0.750 5.412 -9.163 551 HG LEU 73 HG LEU 73 -2.927 5.776 -11.253 552 1HD1 LEU 73 1HD1 LEU 73 -0.023 5.538 -11.930 553 2HD1 LEU 73 2HD1 LEU 73 -0.619 7.104 -11.382 554 3HD1 LEU 73 3HD1 LEU 73 -1.320 6.347 -12.811 555 1HD2 LEU 73 1HD2 LEU 73 -0.970 3.592 -10.531 556 2HD2 LEU 73 2HD2 LEU 73 -1.630 3.714 -12.161 557 3HD2 LEU 73 3HD2 LEU 73 -2.710 3.468 -10.789 558 H GLY 74 HN GLY 74 -2.818 7.439 -7.194 559 1HA GLY 74 2HA GLY 74 -1.133 6.820 -5.086 560 2HA GLY 74 1HA GLY 74 -2.469 7.953 -4.940 561 H ASP 75 HN ASP 75 -4.318 5.587 -5.654 562 HA ASP 75 HA ASP 75 -5.132 5.082 -2.968 563 1HB ASP 75 2HB ASP 75 -6.809 3.704 -4.036 564 2HB ASP 75 1HB ASP 75 -6.489 5.072 -5.101 565 H LEU 76 HN LEU 76 -2.807 3.466 -4.961 566 HA LEU 76 HA LEU 76 -3.007 0.800 -4.042 567 1HB LEU 76 2HB LEU 76 -0.624 2.457 -4.884 568 2HB LEU 76 1HB LEU 76 -0.614 0.701 -4.764 569 HG LEU 76 HG LEU 76 -2.581 2.238 -6.475 570 1HD1 LEU 76 1HD1 LEU 76 -0.963 2.479 -8.018 571 2HD1 LEU 76 2HD1 LEU 76 -0.712 0.734 -8.020 572 3HD1 LEU 76 3HD1 LEU 76 0.206 1.755 -6.915 573 1HD2 LEU 76 1HD2 LEU 76 -2.021 -0.463 -7.282 574 2HD2 LEU 76 2HD2 LEU 76 -3.551 0.222 -6.733 575 3HD2 LEU 76 3HD2 LEU 76 -2.416 -0.452 -5.562 576 H LYS 77 HN LYS 77 -2.164 -0.284 -2.308 577 HA LYS 77 HA LYS 77 -0.385 1.159 -0.408 578 1HB LYS 77 2HB LYS 77 -3.025 -0.188 0.230 579 2HB LYS 77 1HB LYS 77 -1.836 0.234 1.465 580 1HG LYS 77 2HG LYS 77 -1.931 2.596 0.757 581 2HG LYS 77 1HG LYS 77 -3.122 2.180 -0.475 582 1HD LYS 77 2HD LYS 77 -4.667 1.391 1.279 583 2HD LYS 77 1HD LYS 77 -3.479 1.812 2.514 584 1HE LYS 77 2HE LYS 77 -3.598 4.174 1.893 585 2HE LYS 77 1HE LYS 77 -4.701 3.791 0.555 586 1HZ LYS 77 1HZ LYS 77 -5.787 4.478 2.716 587 2HZ LYS 77 2HZ LYS 77 -5.260 2.994 3.353 588 3HZ LYS 77 3HZ LYS 77 -6.335 3.023 2.038 589 H VAL 78 HN VAL 78 1.171 -0.217 0.446 590 HA VAL 78 HA VAL 78 1.698 -2.653 -0.896 591 HB VAL 78 HB VAL 78 2.698 -1.785 1.833 592 1HG1 VAL 78 1HG1 VAL 78 3.270 -4.079 0.616 593 2HG1 VAL 78 2HG1 VAL 78 4.536 -3.149 1.427 594 3HG1 VAL 78 3HG1 VAL 78 4.353 -3.044 -0.323 595 1HG2 VAL 78 1HG2 VAL 78 3.597 0.021 0.852 596 2HG2 VAL 78 2HG2 VAL 78 2.767 -0.395 -0.647 597 3HG2 VAL 78 3HG2 VAL 78 4.391 -1.008 -0.339 598 H GLY 79 HN GLY 79 1.641 -4.826 -0.126 599 1HA GLY 79 2HA GLY 79 0.868 -6.605 1.295 600 2HA GLY 79 1HA GLY 79 -0.026 -5.415 2.249 601 H ASP 80 HN ASP 80 -0.846 -4.247 -0.520 602 HA ASP 80 HA ASP 80 -3.228 -6.011 -0.870 603 1HB ASP 80 2HB ASP 80 -3.179 -3.425 -0.564 604 2HB ASP 80 1HB ASP 80 -2.639 -3.388 -2.241 605 H TRP 81 HN TRP 81 -3.882 -6.307 -3.263 606 HA TRP 81 HA TRP 81 -1.433 -6.724 -4.954 607 1HB TRP 81 2HB TRP 81 -4.006 -8.284 -4.653 608 2HB TRP 81 1HB TRP 81 -2.932 -8.512 -6.029 609 HD1 TRP 81 HD1 TRP 81 -2.273 -8.161 -2.222 610 HE1 TRP 81 HE1 TRP 81 -0.676 -10.052 -1.518 611 HE3 TRP 81 HE3 TRP 81 -1.713 -10.553 -6.700 612 HZ2 TRP 81 HZ2 TRP 81 0.660 -12.294 -2.693 613 HZ3 TRP 81 HZ3 TRP 81 -0.272 -12.563 -6.882 614 HH2 TRP 81 HH2 TRP 81 0.915 -13.434 -4.883 615 H VAL 82 HN VAL 82 -2.022 -6.657 -7.344 616 HA VAL 82 HA VAL 82 -4.123 -4.613 -7.924 617 HB VAL 82 HB VAL 82 -2.069 -3.408 -7.831 618 1HG1 VAL 82 1HG1 VAL 82 -0.353 -4.942 -7.599 619 2HG1 VAL 82 2HG1 VAL 82 -0.102 -4.467 -9.280 620 3HG1 VAL 82 3HG1 VAL 82 -0.961 -5.963 -8.902 621 1HG2 VAL 82 1HG2 VAL 82 -3.368 -3.612 -10.215 622 2HG2 VAL 82 2HG2 VAL 82 -1.746 -4.126 -10.687 623 3HG2 VAL 82 3HG2 VAL 82 -1.994 -2.541 -9.947 624 H ASN 83 HN ASN 83 -4.880 -4.689 -10.122 625 HA ASN 83 HA ASN 83 -4.629 -7.273 -11.527 626 1HB ASN 83 2HB ASN 83 -6.320 -4.875 -11.493 627 2HB ASN 83 1HB ASN 83 -5.952 -5.401 -13.126 628 1HD2 ASN 83 1HD2 ASN 83 -8.326 -6.004 -13.215 629 2HD2 ASN 83 2HD2 ASN 83 -8.808 -7.494 -12.561 630 H VAL 84 HN VAL 84 -2.628 -7.483 -12.559 631 HA VAL 84 HA VAL 84 -1.495 -5.023 -13.814 632 HB VAL 84 HB VAL 84 0.606 -6.681 -13.775 633 1HG1 VAL 84 1HG1 VAL 84 -0.412 -5.325 -11.265 634 2HG1 VAL 84 2HG1 VAL 84 0.249 -4.454 -12.651 635 3HG1 VAL 84 3HG1 VAL 84 1.268 -5.576 -11.746 636 1HG2 VAL 84 1HG2 VAL 84 0.593 -8.189 -11.918 637 2HG2 VAL 84 2HG2 VAL 84 -0.880 -8.533 -12.825 638 3HG2 VAL 84 3HG2 VAL 84 -0.959 -7.579 -11.343 639 H GLU 85 HN GLU 85 -1.007 -4.948 -15.927 640 HA GLU 85 HA GLU 85 -1.433 -7.423 -17.584 641 1HB GLU 85 2HB GLU 85 -3.439 -5.980 -17.523 642 2HB GLU 85 1HB GLU 85 -2.466 -4.607 -18.052 643 1HG GLU 85 2HG GLU 85 -1.914 -5.795 -20.142 644 2HG GLU 85 1HG GLU 85 -2.889 -7.168 -19.618 645 H ARG 86 HN ARG 86 -0.084 -7.565 -19.420 646 HA ARG 86 HA ARG 86 2.347 -5.937 -19.331 647 1HB ARG 86 2HB ARG 86 2.228 -8.412 -19.711 648 2HB ARG 86 1HB ARG 86 1.448 -8.098 -21.263 649 1HG ARG 86 2HG ARG 86 3.416 -6.797 -21.992 650 2HG ARG 86 1HG ARG 86 4.198 -7.113 -20.443 651 1HD ARG 86 2HD ARG 86 3.340 -9.246 -22.434 652 2HD ARG 86 1HD ARG 86 5.007 -8.706 -22.153 653 HE ARG 86 HE ARG 86 3.818 -9.400 -19.645 654 1HH1 ARG 86 1HH1 ARG 86 4.982 -10.771 -22.598 655 2HH1 ARG 86 2HH1 ARG 86 5.410 -12.284 -21.874 656 1HH2 ARG 86 1HH2 ARG 86 4.372 -11.372 -18.696 657 2HH2 ARG 86 2HH2 ARG 86 5.065 -12.625 -19.671 658 H ALA 87 HN ALA 87 2.777 -4.192 -20.617 659 HA ALA 87 HA ALA 87 1.221 -3.861 -23.153 660 1HB ALA 87 1HB ALA 87 2.183 -1.451 -21.719 661 2HB ALA 87 2HB ALA 87 0.881 -2.339 -20.929 662 3HB ALA 87 3HB ALA 87 0.661 -1.719 -22.565 663 H ALA 88 HN ALA 88 2.455 -3.027 -24.895 664 HA ALA 88 HA ALA 88 5.422 -2.941 -24.422 665 1HB ALA 88 1HB ALA 88 4.427 -4.975 -25.539 666 2HB ALA 88 2HB ALA 88 5.618 -4.128 -26.527 667 3HB ALA 88 3HB ALA 88 3.897 -3.924 -26.852 668 H LYS 89 HN LYS 89 6.565 -1.309 -25.439 669 HA LYS 89 HA LYS 89 5.288 1.110 -26.205 670 1HB LYS 89 2HB LYS 89 8.023 -0.106 -26.622 671 2HB LYS 89 1HB LYS 89 7.651 1.540 -27.138 672 1HG LYS 89 2HG LYS 89 7.540 2.332 -24.997 673 2HG LYS 89 1HG LYS 89 6.828 0.842 -24.376 674 1HD LYS 89 2HD LYS 89 8.906 -0.217 -24.164 675 2HD LYS 89 1HD LYS 89 9.688 0.876 -25.310 676 1HE LYS 89 2HE LYS 89 10.324 1.342 -22.917 677 2HE LYS 89 1HE LYS 89 9.529 2.725 -23.695 678 1HZ LYS 89 1HZ LYS 89 8.638 1.927 -21.429 679 2HZ LYS 89 2HZ LYS 89 7.937 0.659 -22.317 680 3HZ LYS 89 3HZ LYS 89 7.524 2.271 -22.660 681 H PHE 90 HN PHE 90 6.555 -1.567 -28.212 682 HA PHE 90 HA PHE 90 4.857 -0.678 -30.464 683 1HB PHE 90 2HB PHE 90 6.751 -0.248 -31.918 684 2HB PHE 90 1HB PHE 90 6.960 0.704 -30.450 685 HD1 PHE 90 HD1 PHE 90 8.680 0.163 -28.816 686 HD2 PHE 90 HD2 PHE 90 8.110 -2.267 -32.318 687 HE1 PHE 90 HE1 PHE 90 10.847 -0.969 -28.384 688 HE2 PHE 90 HE2 PHE 90 10.276 -3.397 -31.886 689 HZ PHE 90 HZ PHE 90 11.645 -2.749 -29.919 690 H SER 91 HN SER 91 4.897 -2.231 -32.242 691 HA SER 91 HA SER 91 6.489 -4.682 -31.956 692 1HB SER 91 2HB SER 91 4.582 -6.162 -31.765 693 2HB SER 91 1HB SER 91 4.442 -4.950 -30.495 694 HG SER 91 HG SER 91 3.120 -5.013 -33.007 695 H ASP 92 HN ASP 92 6.265 -6.038 -33.942 696 HA ASP 92 HA ASP 92 6.102 -4.419 -36.322 697 1HB ASP 92 2HB ASP 92 6.275 -7.393 -35.767 698 2HB ASP 92 1HB ASP 92 6.381 -6.714 -37.393 699 H GLU 93 HN GLU 93 3.914 -6.852 -34.883 700 HA GLU 93 HA GLU 93 1.682 -5.857 -36.574 701 1HB GLU 93 2HB GLU 93 2.998 -8.581 -36.757 702 2HB GLU 93 1HB GLU 93 1.406 -8.240 -37.433 703 1HG GLU 93 2HG GLU 93 2.450 -6.361 -38.750 704 2HG GLU 93 1HG GLU 93 4.026 -6.918 -38.186 705 H ILE 94 HN ILE 94 1.450 -5.577 -33.917 706 HA ILE 94 HA ILE 94 -0.024 -7.967 -32.891 707 HB ILE 94 HB ILE 94 0.705 -5.282 -31.660 708 1HG1 ILE 94 2HG1 ILE 94 1.684 -8.057 -30.900 709 2HG1 ILE 94 1HG1 ILE 94 2.568 -6.980 -31.985 710 1HG2 ILE 94 1HG2 ILE 94 -1.031 -5.704 -30.275 711 2HG2 ILE 94 2HG2 ILE 94 -0.023 -6.991 -29.610 712 3HG2 ILE 94 3HG2 ILE 94 -1.207 -7.356 -30.867 713 1HD1 ILE 94 1HD1 ILE 94 2.498 -5.235 -30.162 714 2HD1 ILE 94 2HD1 ILE 94 3.445 -6.665 -29.756 715 3HD1 ILE 94 3HD1 ILE 94 1.823 -6.465 -29.094 716 H GLY 95 HN GLY 95 -0.830 -6.172 -35.202 717 1HA GLY 95 2HA GLY 95 -2.679 -4.243 -34.755 718 2HA GLY 95 1HA GLY 95 -2.966 -5.471 -35.982 719 H GLY 96 HN GLY 96 -3.172 -7.596 -33.743 720 1HA GLY 96 2HA GLY 96 -4.778 -8.185 -32.053 721 2HA GLY 96 1HA GLY 96 -5.683 -6.721 -32.442 722 H HIS 97 HN HIS 97 -7.150 -8.995 -32.282 723 HA HIS 97 HA HIS 97 -7.814 -9.546 -35.147 724 1HB HIS 97 2HB HIS 97 -8.145 -11.942 -34.427 725 2HB HIS 97 1HB HIS 97 -6.470 -11.396 -34.327 726 HD1 HIS 97 HD1 HIS 97 -5.789 -10.438 -31.825 727 HD2 HIS 97 HD2 HIS 97 -9.075 -12.994 -32.046 728 HE1 HIS 97 HE1 HIS 97 -6.184 -11.302 -29.477 729 1H MET 1 1HT MET 1 -0.972 -0.528 -30.771 730 2H MET 1 2HT MET 1 -2.554 0.090 -30.726 731 3H MET 1 3HT MET 1 -2.121 -1.214 -29.728 732 HA MET 1 HA MET 1 -0.320 0.592 -28.933 733 1HB MET 1 2HB MET 1 -2.801 1.964 -29.993 734 2HB MET 1 1HB MET 1 -1.738 2.728 -28.809 735 1HG MET 1 2HG MET 1 0.177 2.412 -30.367 736 2HG MET 1 1HG MET 1 -0.933 1.738 -31.561 737 1HE MET 1 1HE MET 1 -1.959 3.349 -33.453 738 2HE MET 1 2HE MET 1 -3.122 4.468 -32.746 739 3HE MET 1 3HE MET 1 -3.060 2.800 -32.182 740 H PHE 2 HN PHE 2 -1.283 1.844 -26.842 741 HA PHE 2 HA PHE 2 -3.734 0.822 -25.738 742 1HB PHE 2 2HB PHE 2 -2.825 -0.622 -24.041 743 2HB PHE 2 1HB PHE 2 -2.109 -1.139 -25.563 744 HD1 PHE 2 HD1 PHE 2 -1.465 1.187 -22.680 745 HD2 PHE 2 HD2 PHE 2 0.225 -1.349 -25.714 746 HE1 PHE 2 HE1 PHE 2 0.796 1.562 -21.733 747 HE2 PHE 2 HE2 PHE 2 2.486 -0.970 -24.762 748 HZ PHE 2 HZ PHE 2 2.773 0.488 -22.778 749 H THR 3 HN THR 3 -4.285 2.090 -23.877 750 HA THR 3 HA THR 3 -2.172 3.934 -22.875 751 HB THR 3 HB THR 3 -3.481 5.850 -23.413 752 HG1 THR 3 HG1 THR 3 -5.678 4.464 -24.356 753 1HG2 THR 3 1HG2 THR 3 -2.585 4.332 -25.419 754 2HG2 THR 3 2HG2 THR 3 -3.563 5.770 -25.728 755 3HG2 THR 3 3HG2 THR 3 -4.310 4.175 -25.754 756 H GLY 4 HN GLY 4 -5.446 2.581 -22.526 757 1HA GLY 4 2HA GLY 4 -6.810 2.370 -20.626 758 2HA GLY 4 1HA GLY 4 -5.303 1.979 -19.790 759 H ILE 5 HN ILE 5 -5.618 5.047 -21.391 760 HA ILE 5 HA ILE 5 -5.064 6.411 -18.865 761 HB ILE 5 HB ILE 5 -5.676 7.463 -21.648 762 1HG1 ILE 5 2HG1 ILE 5 -3.826 5.834 -21.622 763 2HG1 ILE 5 1HG1 ILE 5 -3.219 7.460 -21.921 764 1HG2 ILE 5 1HG2 ILE 5 -3.807 8.836 -19.792 765 2HG2 ILE 5 2HG2 ILE 5 -5.522 8.929 -19.376 766 3HG2 ILE 5 3HG2 ILE 5 -4.960 9.518 -20.942 767 1HD1 ILE 5 1HD1 ILE 5 -2.619 5.654 -19.739 768 2HD1 ILE 5 2HD1 ILE 5 -3.233 7.193 -19.138 769 3HD1 ILE 5 3HD1 ILE 5 -1.825 7.156 -20.206 770 H VAL 6 HN VAL 6 -6.586 7.159 -17.488 771 HA VAL 6 HA VAL 6 -9.406 6.882 -18.157 772 HB VAL 6 HB VAL 6 -7.681 7.441 -15.776 773 1HG1 VAL 6 1HG1 VAL 6 -9.392 9.100 -15.407 774 2HG1 VAL 6 2HG1 VAL 6 -9.791 7.708 -14.400 775 3HG1 VAL 6 3HG1 VAL 6 -10.659 7.982 -15.911 776 1HG2 VAL 6 1HG2 VAL 6 -9.909 5.655 -15.408 777 2HG2 VAL 6 2HG2 VAL 6 -8.184 5.283 -15.396 778 3HG2 VAL 6 3HG2 VAL 6 -9.081 5.262 -16.915 779 H GLN 7 HN GLN 7 -10.919 8.521 -18.423 780 HA GLN 7 HA GLN 7 -9.858 11.199 -19.059 781 1HB GLN 7 2HB GLN 7 -12.018 11.476 -20.106 782 2HB GLN 7 1HB GLN 7 -11.470 9.838 -20.464 783 1HG GLN 7 2HG GLN 7 -12.814 9.000 -18.540 784 2HG GLN 7 1HG GLN 7 -13.418 10.638 -18.281 785 1HE2 GLN 7 1HE2 GLN 7 -15.281 11.196 -19.436 786 2HE2 GLN 7 2HE2 GLN 7 -15.882 10.343 -20.774 787 H GLY 8 HN GLY 8 -11.444 9.656 -16.376 788 1HA GLY 8 2HA GLY 8 -11.606 12.244 -14.980 789 2HA GLY 8 1HA GLY 8 -13.165 11.484 -15.295 790 H THR 9 HN THR 9 -12.722 11.779 -12.706 791 HA THR 9 HA THR 9 -11.815 9.073 -11.783 792 HB THR 9 HB THR 9 -11.323 10.510 -9.623 793 HG1 THR 9 HG1 THR 9 -10.539 12.620 -10.531 794 1HG2 THR 9 1HG2 THR 9 -9.734 10.246 -12.153 795 2HG2 THR 9 2HG2 THR 9 -9.469 9.484 -10.584 796 3HG2 THR 9 3HG2 THR 9 -9.072 11.187 -10.816 797 H ALA 10 HN ALA 10 -12.851 8.489 -9.638 798 HA ALA 10 HA ALA 10 -15.641 9.578 -9.390 799 1HB ALA 10 1HB ALA 10 -16.343 7.693 -10.425 800 2HB ALA 10 2HB ALA 10 -15.692 6.768 -9.073 801 3HB ALA 10 3HB ALA 10 -14.692 7.071 -10.496 802 H LYS 11 HN LYS 11 -16.539 9.304 -7.295 803 HA LYS 11 HA LYS 11 -14.537 8.599 -5.182 804 1HB LYS 11 2HB LYS 11 -15.494 10.875 -5.204 805 2HB LYS 11 1HB LYS 11 -17.112 10.189 -5.123 806 1HG LYS 11 2HG LYS 11 -16.660 9.208 -2.955 807 2HG LYS 11 1HG LYS 11 -14.970 9.705 -3.040 808 1HD LYS 11 2HD LYS 11 -15.440 11.860 -2.479 809 2HD LYS 11 1HD LYS 11 -16.938 11.882 -3.411 810 1HE LYS 11 2HE LYS 11 -17.953 10.389 -1.606 811 2HE LYS 11 1HE LYS 11 -16.507 10.737 -0.635 812 1HZ LYS 11 1HZ LYS 11 -18.047 12.420 -0.099 813 2HZ LYS 11 2HZ LYS 11 -18.479 12.665 -1.724 814 3HZ LYS 11 3HZ LYS 11 -16.948 13.147 -1.167 815 H LEU 12 HN LEU 12 -14.841 6.534 -4.410 816 HA LEU 12 HA LEU 12 -17.296 5.017 -4.560 817 1HB LEU 12 2HB LEU 12 -14.797 4.367 -4.022 818 2HB LEU 12 1HB LEU 12 -15.233 4.786 -2.381 819 HG LEU 12 HG LEU 12 -17.046 3.153 -2.399 820 1HD1 LEU 12 1HD1 LEU 12 -17.144 1.610 -4.456 821 2HD1 LEU 12 2HD1 LEU 12 -16.226 2.859 -5.295 822 3HD1 LEU 12 3HD1 LEU 12 -17.826 3.224 -4.649 823 1HD2 LEU 12 1HD2 LEU 12 -14.260 2.526 -2.707 824 2HD2 LEU 12 2HD2 LEU 12 -15.209 1.257 -3.481 825 3HD2 LEU 12 3HD2 LEU 12 -15.481 1.649 -1.784 826 H VAL 13 HN VAL 13 -19.103 5.326 -3.359 827 HA VAL 13 HA VAL 13 -18.861 6.930 -0.842 828 HB VAL 13 HB VAL 13 -19.678 8.396 -2.499 829 1HG1 VAL 13 1HG1 VAL 13 -21.973 7.243 -3.607 830 2HG1 VAL 13 2HG1 VAL 13 -20.747 5.981 -3.675 831 3HG1 VAL 13 3HG1 VAL 13 -20.442 7.549 -4.428 832 1HG2 VAL 13 1HG2 VAL 13 -21.035 8.504 -0.492 833 2HG2 VAL 13 2HG2 VAL 13 -22.026 7.156 -1.050 834 3HG2 VAL 13 3HG2 VAL 13 -22.092 8.706 -1.888 835 H SER 14 HN SER 14 -20.551 4.421 -2.633 836 HA SER 14 HA SER 14 -21.606 3.410 -0.023 837 1HB SER 14 2HB SER 14 -23.092 4.904 -1.789 838 2HB SER 14 1HB SER 14 -23.485 3.259 -2.280 839 HG SER 14 HG SER 14 -24.562 3.016 -0.493 840 H ILE 15 HN ILE 15 -21.626 1.172 0.092 841 HA ILE 15 HA ILE 15 -21.052 -0.347 -2.435 842 HB ILE 15 HB ILE 15 -20.687 -1.305 0.412 843 1HG1 ILE 15 2HG1 ILE 15 -18.736 0.118 -1.418 844 2HG1 ILE 15 1HG1 ILE 15 -19.318 0.660 0.155 845 1HG2 ILE 15 1HG2 ILE 15 -18.852 -2.574 -1.178 846 2HG2 ILE 15 2HG2 ILE 15 -20.181 -2.332 -2.315 847 3HG2 ILE 15 3HG2 ILE 15 -20.458 -3.213 -0.814 848 1HD1 ILE 15 1HD1 ILE 15 -17.311 -0.292 0.815 849 2HD1 ILE 15 2HD1 ILE 15 -17.327 -1.473 -0.486 850 3HD1 ILE 15 3HD1 ILE 15 -18.355 -1.707 0.924 851 H ASP 16 HN ASP 16 -22.553 -1.834 -3.052 852 HA ASP 16 HA ASP 16 -24.819 -2.398 -1.174 853 1HB ASP 16 2HB ASP 16 -24.593 -2.112 -4.160 854 2HB ASP 16 1HB ASP 16 -25.928 -3.025 -3.452 855 H GLU 17 HN GLU 17 -24.498 -4.394 -0.268 856 HA GLU 17 HA GLU 17 -23.039 -6.457 -1.859 857 1HB GLU 17 2HB GLU 17 -22.171 -5.785 0.352 858 2HB GLU 17 1HB GLU 17 -23.713 -6.217 1.092 859 1HG GLU 17 2HG GLU 17 -23.414 -8.554 0.359 860 2HG GLU 17 1HG GLU 17 -21.870 -8.125 -0.379 861 H LYS 18 HN LYS 18 -24.330 -7.948 -2.860 862 HA LYS 18 HA LYS 18 -26.914 -8.711 -1.535 863 1HB LYS 18 2HB LYS 18 -26.249 -8.981 -4.471 864 2HB LYS 18 1HB LYS 18 -27.839 -8.907 -3.713 865 1HG LYS 18 2HG LYS 18 -26.792 -6.525 -2.907 866 2HG LYS 18 1HG LYS 18 -26.009 -6.712 -4.477 867 1HD LYS 18 2HD LYS 18 -28.068 -5.584 -4.907 868 2HD LYS 18 1HD LYS 18 -28.315 -7.254 -5.414 869 1HE LYS 18 2HE LYS 18 -30.176 -7.166 -4.088 870 2HE LYS 18 1HE LYS 18 -29.033 -7.331 -2.738 871 1HZ LYS 18 1HZ LYS 18 -30.110 -4.837 -3.923 872 2HZ LYS 18 2HZ LYS 18 -28.723 -4.847 -2.942 873 3HZ LYS 18 3HZ LYS 18 -30.216 -5.357 -2.313 874 HA PRO 19 HA PRO 19 -25.205 -12.730 -0.995 875 1HB PRO 19 2HB PRO 19 -27.625 -14.118 -1.389 876 2HB PRO 19 1HB PRO 19 -27.012 -13.504 0.157 877 1HG PRO 19 2HG PRO 19 -29.046 -12.357 -1.658 878 2HG PRO 19 1HG PRO 19 -28.910 -12.250 0.103 879 1HD PRO 19 2HD PRO 19 -28.317 -10.179 -1.528 880 2HD PRO 19 1HD PRO 19 -27.481 -10.450 0.019 881 H ASN 20 HN ASN 20 -26.831 -11.674 -3.860 882 HA ASN 20 HA ASN 20 -26.036 -14.160 -5.329 883 1HB ASN 20 2HB ASN 20 -27.625 -12.018 -6.654 884 2HB ASN 20 1HB ASN 20 -27.855 -13.761 -6.691 885 1HD2 ASN 20 1HD2 ASN 20 -27.951 -14.085 -3.758 886 2HD2 ASN 20 2HD2 ASN 20 -29.403 -13.387 -3.237 887 H PHE 21 HN PHE 21 -25.477 -10.738 -5.035 888 HA PHE 21 HA PHE 21 -23.107 -10.942 -6.790 889 1HB PHE 21 2HB PHE 21 -25.413 -9.065 -7.405 890 2HB PHE 21 1HB PHE 21 -23.902 -9.177 -8.305 891 HD1 PHE 21 HD1 PHE 21 -27.237 -10.448 -7.971 892 HD2 PHE 21 HD2 PHE 21 -23.288 -11.473 -9.326 893 HE1 PHE 21 HE1 PHE 21 -28.187 -12.275 -9.357 894 HE2 PHE 21 HE2 PHE 21 -24.237 -13.300 -10.712 895 HZ PHE 21 HZ PHE 21 -26.686 -13.700 -10.729 896 H ARG 22 HN ARG 22 -21.637 -9.186 -6.413 897 HA ARG 22 HA ARG 22 -22.344 -7.440 -4.102 898 1HB ARG 22 2HB ARG 22 -20.250 -8.725 -3.976 899 2HB ARG 22 1HB ARG 22 -19.707 -7.990 -5.484 900 1HG ARG 22 2HG ARG 22 -19.752 -5.773 -4.466 901 2HG ARG 22 1HG ARG 22 -20.395 -6.447 -2.971 902 1HD ARG 22 2HD ARG 22 -18.332 -7.780 -2.672 903 2HD ARG 22 1HD ARG 22 -17.678 -7.093 -4.174 904 HE ARG 22 HE ARG 22 -18.401 -4.848 -2.778 905 1HH1 ARG 22 1HH1 ARG 22 -16.594 -7.683 -1.979 906 2HH1 ARG 22 2HH1 ARG 22 -15.584 -6.869 -0.832 907 1HH2 ARG 22 1HH2 ARG 22 -17.093 -3.782 -1.285 908 2HH2 ARG 22 2HH2 ARG 22 -15.865 -4.664 -0.440 909 H THR 23 HN THR 23 -22.386 -5.238 -4.332 910 HA THR 23 HA THR 23 -22.190 -4.162 -7.127 911 HB THR 23 HB THR 23 -24.261 -3.761 -4.942 912 HG1 THR 23 HG1 THR 23 -25.284 -5.236 -6.003 913 1HG2 THR 23 1HG2 THR 23 -24.565 -2.645 -7.700 914 2HG2 THR 23 2HG2 THR 23 -23.536 -1.776 -6.562 915 3HG2 THR 23 3HG2 THR 23 -25.232 -2.063 -6.175 916 H HIS 24 HN HIS 24 -21.231 -2.113 -7.294 917 HA HIS 24 HA HIS 24 -20.601 -0.717 -4.716 918 1HB HIS 24 2HB HIS 24 -18.894 -1.875 -6.763 919 2HB HIS 24 1HB HIS 24 -18.542 -0.164 -6.502 920 HD1 HIS 24 HD1 HIS 24 -17.179 -3.089 -5.356 921 HD2 HIS 24 HD2 HIS 24 -18.990 0.037 -3.277 922 HE1 HIS 24 HE1 HIS 24 -16.400 -3.268 -2.949 923 H VAL 25 HN VAL 25 -20.742 1.539 -4.776 924 HA VAL 25 HA VAL 25 -21.574 2.734 -7.397 925 HB VAL 25 HB VAL 25 -22.512 3.549 -4.645 926 1HG1 VAL 25 1HG1 VAL 25 -23.860 3.932 -7.322 927 2HG1 VAL 25 2HG1 VAL 25 -22.708 5.099 -6.672 928 3HG1 VAL 25 3HG1 VAL 25 -24.205 4.760 -5.804 929 1HG2 VAL 25 1HG2 VAL 25 -24.529 2.170 -6.164 930 2HG2 VAL 25 2HG2 VAL 25 -23.897 1.775 -4.566 931 3HG2 VAL 25 3HG2 VAL 25 -23.112 1.132 -6.007 932 H VAL 26 HN VAL 26 -20.526 4.586 -7.959 933 HA VAL 26 HA VAL 26 -18.695 5.833 -5.938 934 HB VAL 26 HB VAL 26 -17.327 6.382 -7.955 935 1HG1 VAL 26 1HG1 VAL 26 -17.363 4.070 -6.622 936 2HG1 VAL 26 2HG1 VAL 26 -16.343 4.286 -8.043 937 3HG1 VAL 26 3HG1 VAL 26 -17.890 3.450 -8.186 938 1HG2 VAL 26 1HG2 VAL 26 -19.297 6.422 -9.519 939 2HG2 VAL 26 2HG2 VAL 26 -19.346 4.661 -9.428 940 3HG2 VAL 26 3HG2 VAL 26 -17.940 5.470 -10.122 941 H GLU 27 HN GLU 27 -18.243 8.222 -6.582 942 HA GLU 27 HA GLU 27 -20.840 9.539 -7.211 943 1HB GLU 27 2HB GLU 27 -19.146 9.722 -5.109 944 2HB GLU 27 1HB GLU 27 -18.458 10.950 -6.163 945 1HG GLU 27 2HG GLU 27 -20.373 12.277 -6.100 946 2HG GLU 27 1HG GLU 27 -21.418 10.919 -5.691 947 H LEU 28 HN LEU 28 -20.970 10.241 -9.282 948 HA LEU 28 HA LEU 28 -18.610 10.428 -10.968 949 1HB LEU 28 2HB LEU 28 -21.134 9.671 -11.329 950 2HB LEU 28 1HB LEU 28 -21.348 11.368 -11.742 951 HG LEU 28 HG LEU 28 -19.707 11.219 -13.510 952 1HD1 LEU 28 1HD1 LEU 28 -17.960 9.828 -13.087 953 2HD1 LEU 28 2HD1 LEU 28 -18.985 8.563 -13.762 954 3HD1 LEU 28 3HD1 LEU 28 -18.924 8.810 -12.017 955 1HD2 LEU 28 1HD2 LEU 28 -20.723 9.411 -14.921 956 2HD2 LEU 28 2HD2 LEU 28 -21.930 10.417 -14.123 957 3HD2 LEU 28 3HD2 LEU 28 -21.561 8.816 -13.490 958 HA PRO 29 HA PRO 29 -17.934 14.746 -10.064 959 1HB PRO 29 2HB PRO 29 -16.040 15.136 -12.013 960 2HB PRO 29 1HB PRO 29 -15.696 14.423 -10.428 961 1HG PRO 29 2HG PRO 29 -16.079 13.093 -13.056 962 2HG PRO 29 1HG PRO 29 -14.983 12.682 -11.729 963 1HD PRO 29 2HD PRO 29 -17.288 11.338 -12.225 964 2HD PRO 29 1HD PRO 29 -16.581 11.492 -10.603 965 H ASP 30 HN ASP 30 -17.765 16.799 -11.556 966 HA ASP 30 HA ASP 30 -20.235 17.102 -12.874 967 1HB ASP 30 2HB ASP 30 -17.624 18.630 -12.989 968 2HB ASP 30 1HB ASP 30 -19.119 19.235 -13.706 969 H HIS 31 HN HIS 31 -17.015 16.462 -14.310 970 HA HIS 31 HA HIS 31 -18.169 16.663 -17.007 971 1HB HIS 31 2HB HIS 31 -15.842 16.433 -17.707 972 2HB HIS 31 1HB HIS 31 -15.945 17.580 -16.375 973 HD1 HIS 31 HD1 HIS 31 -16.377 14.720 -14.519 974 HD2 HIS 31 HD2 HIS 31 -13.089 16.132 -16.652 975 HE1 HIS 31 HE1 HIS 31 -14.338 13.580 -13.539 976 H MET 32 HN MET 32 -18.173 14.238 -14.766 977 HA MET 32 HA MET 32 -18.197 12.145 -16.918 978 1HB MET 32 2HB MET 32 -17.716 11.975 -13.928 979 2HB MET 32 1HB MET 32 -17.917 10.562 -14.965 980 1HG MET 32 2HG MET 32 -15.784 12.694 -15.281 981 2HG MET 32 1HG MET 32 -15.529 11.069 -14.642 982 1HE MET 32 1HE MET 32 -15.976 9.071 -15.640 983 2HE MET 32 2HE MET 32 -15.740 8.670 -17.339 984 3HE MET 32 3HE MET 32 -17.340 9.133 -16.764 985 H LEU 33 HN LEU 33 -20.083 14.057 -14.850 986 HA LEU 33 HA LEU 33 -22.267 12.234 -14.289 987 1HB LEU 33 2HB LEU 33 -21.760 15.195 -14.287 988 2HB LEU 33 1HB LEU 33 -23.410 14.604 -14.093 989 HG LEU 33 HG LEU 33 -21.154 13.503 -12.414 990 1HD1 LEU 33 1HD1 LEU 33 -22.579 16.114 -12.204 991 2HD1 LEU 33 2HD1 LEU 33 -20.963 15.668 -11.654 992 3HD1 LEU 33 3HD1 LEU 33 -22.377 15.195 -10.712 993 1HD2 LEU 33 1HD2 LEU 33 -23.908 13.825 -11.396 994 2HD2 LEU 33 2HD2 LEU 33 -22.822 12.439 -11.290 995 3HD2 LEU 33 3HD2 LEU 33 -23.749 12.722 -12.763 996 H ASP 34 HN ASP 34 -21.546 14.569 -16.849 997 HA ASP 34 HA ASP 34 -24.090 14.151 -18.225 998 1HB ASP 34 2HB ASP 34 -21.483 15.583 -18.774 999 2HB ASP 34 1HB ASP 34 -22.838 15.624 -19.908 1000 H GLY 35 HN GLY 35 -24.472 12.559 -19.726 1001 1HA GLY 35 2HA GLY 35 -23.823 11.443 -21.787 1002 2HA GLY 35 1HA GLY 35 -22.149 11.475 -21.238 1003 H LEU 36 HN LEU 36 -22.380 10.393 -18.676 1004 HA LEU 36 HA LEU 36 -22.446 7.599 -19.321 1005 1HB LEU 36 2HB LEU 36 -21.121 8.905 -17.541 1006 2HB LEU 36 1HB LEU 36 -22.582 8.817 -16.555 1007 HG LEU 36 HG LEU 36 -21.526 6.305 -17.809 1008 1HD1 LEU 36 1HD1 LEU 36 -20.465 7.597 -15.279 1009 2HD1 LEU 36 2HD1 LEU 36 -19.550 7.284 -16.753 1010 3HD1 LEU 36 3HD1 LEU 36 -20.135 5.938 -15.775 1011 1HD2 LEU 36 1HD2 LEU 36 -22.352 5.716 -15.290 1012 2HD2 LEU 36 2HD2 LEU 36 -23.435 5.738 -16.680 1013 3HD2 LEU 36 3HD2 LEU 36 -23.341 7.139 -15.614 1014 H GLU 37 HN GLU 37 -23.944 5.986 -18.681 1015 HA GLU 37 HA GLU 37 -26.464 6.800 -17.351 1016 1HB GLU 37 2HB GLU 37 -27.818 6.087 -19.229 1017 2HB GLU 37 1HB GLU 37 -26.617 7.220 -19.849 1018 1HG GLU 37 2HG GLU 37 -25.193 5.330 -20.552 1019 2HG GLU 37 1HG GLU 37 -26.396 4.196 -19.936 1020 H THR 38 HN THR 38 -27.851 4.737 -17.027 1021 HA THR 38 HA THR 38 -26.200 2.682 -15.863 1022 HB THR 38 HB THR 38 -28.754 1.671 -16.086 1023 HG1 THR 38 HG1 THR 38 -30.060 3.231 -16.529 1024 1HG2 THR 38 1HG2 THR 38 -27.320 3.396 -14.117 1025 2HG2 THR 38 2HG2 THR 38 -27.866 1.727 -13.953 1026 3HG2 THR 38 3HG2 THR 38 -29.028 3.050 -13.851 1027 H GLY 39 HN GLY 39 -25.946 0.482 -16.575 1028 1HA GLY 39 2HA GLY 39 -25.835 -1.275 -18.165 1029 2HA GLY 39 1HA GLY 39 -26.849 -0.329 -19.248 1030 H ALA 40 HN ALA 40 -24.600 1.809 -18.250 1031 HA ALA 40 HA ALA 40 -23.043 1.663 -20.722 1032 1HB ALA 40 1HB ALA 40 -23.652 3.801 -19.794 1033 2HB ALA 40 2HB ALA 40 -21.913 3.634 -19.544 1034 3HB ALA 40 3HB ALA 40 -23.030 3.352 -18.205 1035 H SER 41 HN SER 41 -20.622 1.500 -20.653 1036 HA SER 41 HA SER 41 -19.741 -0.388 -18.512 1037 1HB SER 41 2HB SER 41 -17.757 -0.431 -20.318 1038 2HB SER 41 1HB SER 41 -19.223 -1.380 -20.530 1039 HG SER 41 HG SER 41 -20.020 0.177 -21.885 1040 H VAL 42 HN VAL 42 -18.736 0.628 -16.844 1041 HA VAL 42 HA VAL 42 -17.012 3.007 -17.416 1042 HB VAL 42 HB VAL 42 -18.669 2.029 -15.137 1043 1HG1 VAL 42 1HG1 VAL 42 -16.903 2.055 -13.698 1044 2HG1 VAL 42 2HG1 VAL 42 -17.120 3.802 -13.799 1045 3HG1 VAL 42 3HG1 VAL 42 -15.900 3.006 -14.791 1046 1HG2 VAL 42 1HG2 VAL 42 -19.557 3.944 -16.073 1047 2HG2 VAL 42 2HG2 VAL 42 -17.966 4.579 -16.506 1048 3HG2 VAL 42 3HG2 VAL 42 -18.519 4.654 -14.834 1049 H ALA 43 HN ALA 43 -14.831 2.668 -17.368 1050 HA ALA 43 HA ALA 43 -13.799 0.095 -16.272 1051 1HB ALA 43 1HB ALA 43 -13.181 0.992 -18.568 1052 2HB ALA 43 2HB ALA 43 -11.806 0.656 -17.516 1053 3HB ALA 43 3HB ALA 43 -12.355 2.317 -17.747 1054 H HIS 44 HN HIS 44 -13.153 0.169 -14.163 1055 HA HIS 44 HA HIS 44 -12.509 2.779 -12.910 1056 1HB HIS 44 2HB HIS 44 -13.199 -0.005 -12.060 1057 2HB HIS 44 1HB HIS 44 -12.240 0.967 -10.942 1058 HD1 HIS 44 HD1 HIS 44 -15.086 2.117 -13.236 1059 HD2 HIS 44 HD2 HIS 44 -14.151 1.901 -9.168 1060 HE1 HIS 44 HE1 HIS 44 -16.959 3.292 -12.000 1061 HE2 HIS 44 HE2 HIS 44 -16.395 3.167 -9.533 1062 H ASN 45 HN ASN 45 -10.500 3.396 -13.433 1063 HA ASN 45 HA ASN 45 -8.209 3.369 -13.882 1064 1HB ASN 45 2HB ASN 45 -8.518 2.191 -11.472 1065 2HB ASN 45 1HB ASN 45 -7.823 0.839 -12.369 1066 1HD2 ASN 45 1HD2 ASN 45 -7.118 3.944 -10.940 1067 2HD2 ASN 45 2HD2 ASN 45 -5.495 4.025 -11.418 1068 H GLY 46 HN GLY 46 -10.341 1.443 -15.244 1069 1HA GLY 46 2HA GLY 46 -9.720 0.820 -17.532 1070 2HA GLY 46 1HA GLY 46 -8.238 0.130 -16.887 1071 H CYS 47 HN CYS 47 -10.620 -0.761 -14.732 1072 HA CYS 47 HA CYS 47 -10.968 -3.400 -16.079 1073 1HB CYS 47 2HB CYS 47 -10.243 -3.275 -13.695 1074 2HB CYS 47 1HB CYS 47 -11.740 -2.433 -13.297 1075 HG CYS 47 HG CYS 47 -11.660 -5.270 -13.160 1076 H CYS 48 HN CYS 48 -12.628 -3.252 -17.551 1077 HA CYS 48 HA CYS 48 -14.702 -1.279 -17.335 1078 1HB CYS 48 2HB CYS 48 -15.541 -2.488 -19.379 1079 2HB CYS 48 1HB CYS 48 -13.829 -2.068 -19.459 1080 HG CYS 48 HG CYS 48 -13.277 -4.574 -18.791 1081 H LEU 49 HN LEU 49 -16.636 -1.408 -16.317 1082 HA LEU 49 HA LEU 49 -17.942 -4.055 -16.011 1083 1HB LEU 49 2HB LEU 49 -18.443 -3.317 -13.585 1084 2HB LEU 49 1HB LEU 49 -16.800 -3.852 -13.930 1085 HG LEU 49 HG LEU 49 -17.208 -0.989 -14.424 1086 1HD1 LEU 49 1HD1 LEU 49 -18.423 -2.085 -12.104 1087 2HD1 LEU 49 2HD1 LEU 49 -18.161 -0.380 -12.473 1088 3HD1 LEU 49 3HD1 LEU 49 -16.945 -1.284 -11.570 1089 1HD2 LEU 49 1HD2 LEU 49 -15.079 -2.620 -14.069 1090 2HD2 LEU 49 2HD2 LEU 49 -15.285 -2.057 -12.411 1091 3HD2 LEU 49 3HD2 LEU 49 -15.017 -0.895 -13.710 1092 H THR 50 HN THR 50 -20.305 -3.785 -15.582 1093 HA THR 50 HA THR 50 -21.232 -1.379 -17.029 1094 HB THR 50 HB THR 50 -22.683 -3.934 -16.280 1095 HG1 THR 50 HG1 THR 50 -22.081 -4.542 -18.417 1096 1HG2 THR 50 1HG2 THR 50 -23.232 -2.156 -18.649 1097 2HG2 THR 50 2HG2 THR 50 -23.931 -1.782 -17.075 1098 3HG2 THR 50 3HG2 THR 50 -24.304 -3.313 -17.865 1099 H VAL 51 HN VAL 51 -22.956 -0.089 -16.336 1100 HA VAL 51 HA VAL 51 -23.138 0.355 -13.466 1101 HB VAL 51 HB VAL 51 -24.735 1.545 -15.753 1102 1HG1 VAL 51 1HG1 VAL 51 -25.645 2.585 -13.947 1103 2HG1 VAL 51 2HG1 VAL 51 -24.180 3.562 -14.033 1104 3HG1 VAL 51 3HG1 VAL 51 -24.271 2.204 -12.909 1105 1HG2 VAL 51 1HG2 VAL 51 -21.922 1.504 -15.406 1106 2HG2 VAL 51 2HG2 VAL 51 -22.475 3.129 -14.998 1107 3HG2 VAL 51 3HG2 VAL 51 -22.860 2.434 -16.573 1108 H THR 52 HN THR 52 -24.516 -0.814 -12.184 1109 HA THR 52 HA THR 52 -26.833 -2.270 -13.209 1110 HB THR 52 HB THR 52 -27.111 -2.833 -10.856 1111 HG1 THR 52 HG1 THR 52 -25.884 -1.735 -9.299 1112 1HG2 THR 52 1HG2 THR 52 -24.189 -2.745 -10.787 1113 2HG2 THR 52 2HG2 THR 52 -24.819 -3.326 -12.328 1114 3HG2 THR 52 3HG2 THR 52 -25.272 -4.135 -10.827 1115 H GLU 53 HN GLU 53 -26.273 0.753 -11.401 1116 HA GLU 53 HA GLU 53 -28.856 1.831 -12.302 1117 1HB GLU 53 2HB GLU 53 -29.408 0.278 -10.433 1118 2HB GLU 53 1HB GLU 53 -28.337 1.203 -9.381 1119 1HG GLU 53 2HG GLU 53 -29.700 3.210 -9.707 1120 2HG GLU 53 1HG GLU 53 -30.751 2.336 -10.822 1121 H ILE 54 HN ILE 54 -28.964 4.105 -11.934 1122 HA ILE 54 HA ILE 54 -26.418 5.364 -10.963 1123 HB ILE 54 HB ILE 54 -28.733 6.250 -12.714 1124 1HG1 ILE 54 2HG1 ILE 54 -25.933 6.571 -13.560 1125 2HG1 ILE 54 1HG1 ILE 54 -26.415 4.896 -13.296 1126 1HG2 ILE 54 1HG2 ILE 54 -26.604 7.840 -11.317 1127 2HG2 ILE 54 2HG2 ILE 54 -28.294 8.254 -11.606 1128 3HG2 ILE 54 3HG2 ILE 54 -27.127 8.339 -12.925 1129 1HD1 ILE 54 1HD1 ILE 54 -27.909 4.906 -15.048 1130 2HD1 ILE 54 2HD1 ILE 54 -26.833 6.174 -15.636 1131 3HD1 ILE 54 3HD1 ILE 54 -28.329 6.604 -14.807 1132 H ASN 55 HN ASN 55 -26.445 6.556 -9.128 1133 HA ASN 55 HA ASN 55 -29.085 6.923 -7.753 1134 1HB ASN 55 2HB ASN 55 -26.237 6.489 -6.852 1135 2HB ASN 55 1HB ASN 55 -27.457 7.108 -5.738 1136 1HD2 ASN 55 1HD2 ASN 55 -26.359 4.255 -7.461 1137 2HD2 ASN 55 2HD2 ASN 55 -27.506 3.185 -6.812 1138 H GLY 56 HN GLY 56 -29.004 8.880 -9.418 1139 1HA GLY 56 2HA GLY 56 -29.018 11.259 -9.473 1140 2HA GLY 56 1HA GLY 56 -28.196 11.272 -7.909 1141 H ASN 57 HN ASN 57 -26.132 12.012 -8.021 1142 HA ASN 57 HA ASN 57 -24.687 12.031 -10.574 1143 1HB ASN 57 2HB ASN 57 -23.505 13.666 -9.529 1144 2HB ASN 57 1HB ASN 57 -24.708 13.538 -8.264 1145 1HD2 ASN 57 1HD2 ASN 57 -21.708 11.916 -9.285 1146 2HD2 ASN 57 2HD2 ASN 57 -21.097 11.666 -7.720 1147 H HIS 58 HN HIS 58 -25.132 9.914 -7.923 1148 HA HIS 58 HA HIS 58 -22.566 8.553 -8.011 1149 1HB HIS 58 2HB HIS 58 -25.295 8.094 -6.841 1150 2HB HIS 58 1HB HIS 58 -24.081 6.820 -6.761 1151 HD1 HIS 58 HD1 HIS 58 -25.294 9.202 -4.592 1152 HD2 HIS 58 HD2 HIS 58 -21.416 8.404 -5.908 1153 HE1 HIS 58 HE1 HIS 58 -23.727 10.187 -2.863 1154 H VAL 59 HN VAL 59 -22.294 6.323 -8.736 1155 HA VAL 59 HA VAL 59 -24.451 5.273 -10.469 1156 HB VAL 59 HB VAL 59 -21.586 5.788 -11.278 1157 1HG1 VAL 59 1HG1 VAL 59 -22.741 4.635 -13.453 1158 2HG1 VAL 59 2HG1 VAL 59 -23.524 3.732 -12.156 1159 3HG1 VAL 59 3HG1 VAL 59 -21.763 3.742 -12.285 1160 1HG2 VAL 59 1HG2 VAL 59 -22.619 7.608 -12.148 1161 2HG2 VAL 59 2HG2 VAL 59 -24.218 6.952 -11.783 1162 3HG2 VAL 59 3HG2 VAL 59 -23.398 6.503 -13.282 1163 H SER 60 HN SER 60 -24.810 3.193 -9.892 1164 HA SER 60 HA SER 60 -22.781 1.736 -8.277 1165 1HB SER 60 2HB SER 60 -25.352 2.061 -7.841 1166 2HB SER 60 1HB SER 60 -25.514 0.764 -9.020 1167 HG SER 60 HG SER 60 -25.203 0.324 -6.596 1168 H PHE 61 HN PHE 61 -21.710 -0.041 -9.115 1169 HA PHE 61 HA PHE 61 -22.761 -1.159 -11.702 1170 1HB PHE 61 2HB PHE 61 -20.223 -1.579 -12.162 1171 2HB PHE 61 1HB PHE 61 -20.887 0.030 -12.433 1172 HD1 PHE 61 HD1 PHE 61 -19.356 -2.017 -9.669 1173 HD2 PHE 61 HD2 PHE 61 -19.804 1.845 -11.502 1174 HE1 PHE 61 HE1 PHE 61 -17.733 -1.059 -8.050 1175 HE2 PHE 61 HE2 PHE 61 -18.188 2.802 -9.891 1176 HZ PHE 61 HZ PHE 61 -17.149 1.353 -8.160 1177 H ASP 62 HN ASP 62 -22.248 -3.432 -12.033 1178 HA ASP 62 HA ASP 62 -22.466 -4.862 -9.481 1179 1HB ASP 62 2HB ASP 62 -23.149 -6.704 -10.935 1180 2HB ASP 62 1HB ASP 62 -23.923 -5.223 -11.492 1181 H LEU 63 HN LEU 63 -21.235 -6.753 -8.963 1182 HA LEU 63 HA LEU 63 -18.633 -7.165 -10.310 1183 1HB LEU 63 2HB LEU 63 -19.109 -5.291 -8.191 1184 2HB LEU 63 1HB LEU 63 -18.112 -6.595 -7.560 1185 HG LEU 63 HG LEU 63 -17.238 -5.790 -10.215 1186 1HD1 LEU 63 1HD1 LEU 63 -16.881 -3.538 -9.974 1187 2HD1 LEU 63 2HD1 LEU 63 -16.664 -3.656 -8.227 1188 3HD1 LEU 63 3HD1 LEU 63 -18.291 -3.660 -8.916 1189 1HD2 LEU 63 1HD2 LEU 63 -16.076 -7.029 -8.174 1190 2HD2 LEU 63 2HD2 LEU 63 -15.660 -5.386 -7.689 1191 3HD2 LEU 63 3HD2 LEU 63 -15.119 -6.008 -9.249 1192 H MET 64 HN MET 64 -19.002 -9.418 -10.397 1193 HA MET 64 HA MET 64 -20.295 -10.978 -8.396 1194 1HB MET 64 2HB MET 64 -19.757 -11.611 -10.773 1195 2HB MET 64 1HB MET 64 -18.069 -11.790 -10.296 1196 1HG MET 64 2HG MET 64 -18.734 -13.489 -8.619 1197 2HG MET 64 1HG MET 64 -20.410 -13.337 -9.147 1198 1HE MET 64 1HE MET 64 -21.446 -14.425 -11.059 1199 2HE MET 64 2HE MET 64 -20.628 -14.820 -12.568 1200 3HE MET 64 3HE MET 64 -20.668 -13.150 -12.007 1201 H LYS 65 HN LYS 65 -19.495 -11.957 -6.521 1202 HA LYS 65 HA LYS 65 -17.357 -10.746 -5.148 1203 1HB LYS 65 2HB LYS 65 -19.236 -11.991 -4.137 1204 2HB LYS 65 1HB LYS 65 -18.602 -13.494 -4.809 1205 1HG LYS 65 2HG LYS 65 -16.560 -13.269 -3.492 1206 2HG LYS 65 1HG LYS 65 -17.101 -11.706 -2.875 1207 1HD LYS 65 2HD LYS 65 -17.596 -13.355 -1.184 1208 2HD LYS 65 1HD LYS 65 -19.125 -12.882 -1.924 1209 1HE LYS 65 2HE LYS 65 -18.981 -14.882 -3.424 1210 2HE LYS 65 1HE LYS 65 -17.518 -15.384 -2.553 1211 1HZ LYS 65 1HZ LYS 65 -19.019 -14.937 -0.486 1212 2HZ LYS 65 2HZ LYS 65 -19.127 -16.418 -1.312 1213 3HZ LYS 65 3HZ LYS 65 -20.285 -15.204 -1.581 1214 H GLU 66 HN GLU 66 -17.415 -13.858 -6.918 1215 HA GLU 66 HA GLU 66 -14.648 -14.493 -6.352 1216 1HB GLU 66 2HB GLU 66 -16.376 -16.145 -6.992 1217 2HB GLU 66 1HB GLU 66 -16.538 -15.367 -8.567 1218 1HG GLU 66 2HG GLU 66 -14.175 -15.872 -9.065 1219 2HG GLU 66 1HG GLU 66 -14.011 -16.653 -7.492 1220 H THR 67 HN THR 67 -16.308 -12.877 -9.058 1221 HA THR 67 HA THR 67 -13.984 -12.417 -10.698 1222 HB THR 67 HB THR 67 -16.508 -10.781 -10.274 1223 HG1 THR 67 HG1 THR 67 -15.900 -12.737 -12.232 1224 1HG2 THR 67 1HG2 THR 67 -14.551 -10.874 -12.585 1225 2HG2 THR 67 2HG2 THR 67 -14.731 -9.541 -11.443 1226 3HG2 THR 67 3HG2 THR 67 -16.046 -9.941 -12.547 1227 H LEU 68 HN LEU 68 -15.464 -10.669 -7.987 1228 HA LEU 68 HA LEU 68 -13.840 -8.336 -7.992 1229 1HB LEU 68 2HB LEU 68 -15.923 -8.698 -6.723 1230 2HB LEU 68 1HB LEU 68 -15.137 -9.950 -5.766 1231 HG LEU 68 HG LEU 68 -13.392 -8.016 -5.272 1232 1HD1 LEU 68 1HD1 LEU 68 -14.910 -5.888 -4.988 1233 2HD1 LEU 68 2HD1 LEU 68 -15.866 -6.632 -6.267 1234 3HD1 LEU 68 3HD1 LEU 68 -14.175 -6.224 -6.555 1235 1HD2 LEU 68 1HD2 LEU 68 -14.283 -8.453 -3.250 1236 2HD2 LEU 68 2HD2 LEU 68 -15.759 -9.050 -4.010 1237 3HD2 LEU 68 3HD2 LEU 68 -15.599 -7.338 -3.615 1238 H ARG 69 HN ARG 69 -13.433 -11.466 -6.339 1239 HA ARG 69 HA ARG 69 -10.896 -10.822 -5.104 1240 1HB ARG 69 2HB ARG 69 -12.576 -12.594 -4.442 1241 2HB ARG 69 1HB ARG 69 -12.059 -13.520 -5.852 1242 1HG ARG 69 2HG ARG 69 -10.804 -14.334 -3.959 1243 2HG ARG 69 1HG ARG 69 -9.697 -13.392 -4.959 1244 1HD ARG 69 2HD ARG 69 -9.221 -12.456 -2.885 1245 2HD ARG 69 1HD ARG 69 -10.575 -11.411 -3.357 1246 HE ARG 69 HE ARG 69 -11.518 -13.842 -2.100 1247 1HH1 ARG 69 1HH1 ARG 69 -10.130 -10.725 -1.541 1248 2HH1 ARG 69 2HH1 ARG 69 -10.796 -10.574 0.051 1249 1HH2 ARG 69 1HH2 ARG 69 -12.388 -13.651 -0.026 1250 2HH2 ARG 69 2HH2 ARG 69 -12.071 -12.226 0.907 1251 H ILE 70 HN ILE 70 -11.822 -12.443 -8.147 1252 HA ILE 70 HA ILE 70 -9.230 -13.359 -8.878 1253 HB ILE 70 HB ILE 70 -11.823 -13.528 -9.749 1254 1HG1 ILE 70 2HG1 ILE 70 -9.405 -14.264 -11.409 1255 2HG1 ILE 70 1HG1 ILE 70 -9.928 -15.158 -9.980 1256 1HG2 ILE 70 1HG2 ILE 70 -10.287 -11.929 -11.811 1257 2HG2 ILE 70 2HG2 ILE 70 -11.804 -11.481 -11.033 1258 3HG2 ILE 70 3HG2 ILE 70 -11.761 -12.830 -12.165 1259 1HD1 ILE 70 1HD1 ILE 70 -11.044 -15.166 -12.691 1260 2HD1 ILE 70 2HD1 ILE 70 -12.265 -14.923 -11.442 1261 3HD1 ILE 70 3HD1 ILE 70 -11.229 -16.349 -11.397 1262 H THR 71 HN THR 71 -10.983 -10.382 -9.630 1263 HA THR 71 HA THR 71 -8.721 -9.216 -11.095 1264 HB THR 71 HB THR 71 -10.271 -7.360 -11.369 1265 HG1 THR 71 HG1 THR 71 -12.357 -7.666 -10.190 1266 1HG2 THR 71 1HG2 THR 71 -11.691 -8.486 -12.724 1267 2HG2 THR 71 2HG2 THR 71 -12.277 -9.513 -11.415 1268 3HG2 THR 71 3HG2 THR 71 -10.766 -9.907 -12.233 1269 H ASN 72 HN ASN 72 -8.596 -6.685 -10.256 1270 HA ASN 72 HA ASN 72 -7.837 -6.804 -7.371 1271 1HB ASN 72 2HB ASN 72 -5.963 -6.157 -8.631 1272 2HB ASN 72 1HB ASN 72 -6.935 -5.278 -9.799 1273 1HD2 ASN 72 1HD2 ASN 72 -5.857 -3.228 -9.568 1274 2HD2 ASN 72 2HD2 ASN 72 -5.896 -2.338 -8.124 1275 H LEU 73 HN LEU 73 -10.556 -6.468 -8.807 1276 HA LEU 73 HA LEU 73 -11.428 -3.737 -8.348 1277 1HB LEU 73 2HB LEU 73 -12.805 -6.424 -8.624 1278 2HB LEU 73 1HB LEU 73 -13.688 -4.905 -8.500 1279 HG LEU 73 HG LEU 73 -11.589 -5.469 -10.625 1280 1HD1 LEU 73 1HD1 LEU 73 -14.482 -5.250 -11.283 1281 2HD1 LEU 73 2HD1 LEU 73 -13.957 -6.749 -10.516 1282 3HD1 LEU 73 3HD1 LEU 73 -13.226 -6.233 -12.036 1283 1HD2 LEU 73 1HD2 LEU 73 -12.700 -3.075 -9.692 1284 2HD2 LEU 73 2HD2 LEU 73 -13.631 -3.450 -11.142 1285 3HD2 LEU 73 3HD2 LEU 73 -11.876 -3.309 -11.233 1286 H GLY 74 HN GLY 74 -11.556 -6.758 -6.428 1287 1HA GLY 74 2HA GLY 74 -13.163 -5.939 -4.327 1288 2HA GLY 74 1HA GLY 74 -11.825 -7.060 -4.125 1289 H ASP 75 HN ASP 75 -9.999 -4.780 -5.117 1290 HA ASP 75 HA ASP 75 -9.088 -4.037 -2.518 1291 1HB ASP 75 2HB ASP 75 -7.446 -2.770 -3.765 1292 2HB ASP 75 1HB ASP 75 -7.809 -4.227 -4.691 1293 H LEU 76 HN LEU 76 -11.479 -2.596 -4.567 1294 HA LEU 76 HA LEU 76 -11.240 0.142 -3.901 1295 1HB LEU 76 2HB LEU 76 -13.655 -1.572 -4.506 1296 2HB LEU 76 1HB LEU 76 -13.657 0.188 -4.545 1297 HG LEU 76 HG LEU 76 -11.756 -1.510 -6.178 1298 1HD1 LEU 76 1HD1 LEU 76 -13.290 -0.698 -8.085 1299 2HD1 LEU 76 2HD1 LEU 76 -14.476 -0.364 -6.822 1300 3HD1 LEU 76 3HD1 LEU 76 -13.896 -2.010 -7.074 1301 1HD2 LEU 76 1HD2 LEU 76 -12.389 1.146 -7.151 1302 2HD2 LEU 76 2HD2 LEU 76 -10.817 0.464 -6.734 1303 3HD2 LEU 76 3HD2 LEU 76 -11.807 1.223 -5.487 1304 H LYS 77 HN LYS 77 -12.019 1.382 -2.242 1305 HA LYS 77 HA LYS 77 -13.738 0.128 -0.159 1306 1HB LYS 77 2HB LYS 77 -11.072 1.514 0.260 1307 2HB LYS 77 1HB LYS 77 -12.216 1.212 1.568 1308 1HG LYS 77 2HG LYS 77 -12.150 -1.206 1.077 1309 2HG LYS 77 1HG LYS 77 -11.003 -0.909 -0.230 1310 1HD LYS 77 2HD LYS 77 -9.394 0.026 1.390 1311 2HD LYS 77 1HD LYS 77 -10.538 -0.274 2.699 1312 1HE LYS 77 2HE LYS 77 -10.446 -2.683 2.291 1313 2HE LYS 77 1HE LYS 77 -9.392 -2.428 0.885 1314 1HZ LYS 77 1HZ LYS 77 -7.788 -2.667 2.452 1315 2HZ LYS 77 2HZ LYS 77 -8.789 -2.163 3.729 1316 3HZ LYS 77 3HZ LYS 77 -8.087 -1.014 2.692 1317 H VAL 78 HN VAL 78 -15.249 1.585 0.625 1318 HA VAL 78 HA VAL 78 -15.822 3.889 -0.919 1319 HB VAL 78 HB VAL 78 -16.724 3.277 1.911 1320 1HG1 VAL 78 1HG1 VAL 78 -18.337 4.828 1.559 1321 2HG1 VAL 78 2HG1 VAL 78 -18.657 4.224 -0.066 1322 3HG1 VAL 78 3HG1 VAL 78 -17.349 5.380 0.203 1323 1HG2 VAL 78 1HG2 VAL 78 -17.803 1.457 1.148 1324 2HG2 VAL 78 2HG2 VAL 78 -16.840 1.594 -0.324 1325 3HG2 VAL 78 3HG2 VAL 78 -18.434 2.341 -0.239 1326 H GLY 79 HN GLY 79 -15.736 6.120 -0.359 1327 1HA GLY 79 2HA GLY 79 -14.918 8.015 0.867 1328 2HA GLY 79 1HA GLY 79 -13.994 6.919 1.899 1329 H ASP 80 HN ASP 80 -13.265 5.508 -0.779 1330 HA ASP 80 HA ASP 80 -10.893 7.213 -1.372 1331 1HB ASP 80 2HB ASP 80 -10.937 4.664 -0.830 1332 2HB ASP 80 1HB ASP 80 -11.537 4.478 -2.477 1333 H TRP 81 HN TRP 81 -10.325 7.284 -3.803 1334 HA TRP 81 HA TRP 81 -12.831 7.559 -5.437 1335 1HB TRP 81 2HB TRP 81 -10.247 9.127 -5.370 1336 2HB TRP 81 1HB TRP 81 -11.367 9.235 -6.722 1337 HD1 TRP 81 HD1 TRP 81 -11.891 9.235 -2.879 1338 HE1 TRP 81 HE1 TRP 81 -13.458 11.190 -2.294 1339 HE3 TRP 81 HE3 TRP 81 -12.605 11.213 -7.534 1340 HZ2 TRP 81 HZ2 TRP 81 -14.831 13.322 -3.621 1341 HZ3 TRP 81 HZ3 TRP 81 -14.048 13.206 -7.846 1342 HH2 TRP 81 HH2 TRP 81 -15.160 14.261 -5.895 1343 H VAL 82 HN VAL 82 -12.341 7.280 -7.829 1344 HA VAL 82 HA VAL 82 -10.253 5.178 -8.297 1345 HB VAL 82 HB VAL 82 -12.292 3.993 -8.026 1346 1HG1 VAL 82 1HG1 VAL 82 -13.446 6.450 -9.267 1347 2HG1 VAL 82 2HG1 VAL 82 -14.014 5.534 -7.869 1348 3HG1 VAL 82 3HG1 VAL 82 -14.314 4.932 -9.501 1349 1HG2 VAL 82 1HG2 VAL 82 -11.090 3.974 -10.462 1350 2HG2 VAL 82 2HG2 VAL 82 -12.728 4.449 -10.918 1351 3HG2 VAL 82 3HG2 VAL 82 -12.455 2.938 -10.047 1352 H ASN 83 HN ASN 83 -9.574 5.044 -10.512 1353 HA ASN 83 HA ASN 83 -9.866 7.492 -12.142 1354 1HB ASN 83 2HB ASN 83 -8.184 5.112 -11.919 1355 2HB ASN 83 1HB ASN 83 -8.603 5.450 -13.583 1356 1HD2 ASN 83 1HD2 ASN 83 -6.236 6.054 -13.833 1357 2HD2 ASN 83 2HD2 ASN 83 -5.732 7.599 -13.343 1358 H VAL 84 HN VAL 84 -11.908 7.624 -13.111 1359 HA VAL 84 HA VAL 84 -13.088 5.061 -14.101 1360 HB VAL 84 HB VAL 84 -15.181 6.728 -14.141 1361 1HG1 VAL 84 1HG1 VAL 84 -14.792 4.610 -12.832 1362 2HG1 VAL 84 2HG1 VAL 84 -15.773 5.816 -11.996 1363 3HG1 VAL 84 3HG1 VAL 84 -14.077 5.599 -11.556 1364 1HG2 VAL 84 1HG2 VAL 84 -13.495 7.842 -11.882 1365 2HG2 VAL 84 2HG2 VAL 84 -15.096 8.378 -12.393 1366 3HG2 VAL 84 3HG2 VAL 84 -13.698 8.664 -13.430 1367 H GLU 85 HN GLU 85 -13.670 4.803 -16.186 1368 HA GLU 85 HA GLU 85 -13.280 7.110 -18.070 1369 1HB GLU 85 2HB GLU 85 -11.275 5.670 -17.951 1370 2HB GLU 85 1HB GLU 85 -12.267 4.257 -18.316 1371 1HG GLU 85 2HG GLU 85 -12.891 5.252 -20.486 1372 2HG GLU 85 1HG GLU 85 -11.896 6.663 -20.125 1373 H ARG 86 HN ARG 86 -14.691 7.092 -19.863 1374 HA ARG 86 HA ARG 86 -17.121 5.492 -19.542 1375 1HB ARG 86 2HB ARG 86 -17.009 7.921 -20.150 1376 2HB ARG 86 1HB ARG 86 -16.287 7.462 -21.693 1377 1HG ARG 86 2HG ARG 86 -18.281 6.112 -22.230 1378 2HG ARG 86 1HG ARG 86 -19.008 6.572 -20.690 1379 1HD ARG 86 2HD ARG 86 -18.216 8.510 -22.896 1380 2HD ARG 86 1HD ARG 86 -19.874 8.006 -22.509 1381 HE ARG 86 HE ARG 86 -18.594 8.919 -20.118 1382 1HH1 ARG 86 1HH1 ARG 86 -19.860 10.023 -23.139 1383 2HH1 ARG 86 2HH1 ARG 86 -20.260 11.597 -22.541 1384 1HH2 ARG 86 1HH2 ARG 86 -19.110 10.971 -19.333 1385 2HH2 ARG 86 2HH2 ARG 86 -19.836 12.134 -20.392 1386 H ALA 87 HN ALA 87 -17.605 3.642 -20.649 1387 HA ALA 87 HA ALA 87 -16.132 3.062 -23.202 1388 1HB ALA 87 1HB ALA 87 -15.737 1.753 -20.846 1389 2HB ALA 87 2HB ALA 87 -15.547 0.995 -22.428 1390 3HB ALA 87 3HB ALA 87 -17.051 0.798 -21.532 1391 H ALA 88 HN ALA 88 -17.429 2.080 -24.811 1392 HA ALA 88 HA ALA 88 -20.379 2.062 -24.228 1393 1HB ALA 88 1HB ALA 88 -18.653 3.367 -26.237 1394 2HB ALA 88 2HB ALA 88 -20.240 3.851 -25.637 1395 3HB ALA 88 3HB ALA 88 -20.110 2.626 -26.900 1396 H LYS 89 HN LYS 89 -21.563 0.350 -25.052 1397 HA LYS 89 HA LYS 89 -20.318 -2.136 -25.639 1398 1HB LYS 89 2HB LYS 89 -23.064 -0.948 -26.068 1399 2HB LYS 89 1HB LYS 89 -22.713 -2.636 -26.445 1400 1HG LYS 89 2HG LYS 89 -22.528 -3.230 -24.247 1401 2HG LYS 89 1HG LYS 89 -21.792 -1.695 -23.789 1402 1HD LYS 89 2HD LYS 89 -23.859 -0.609 -23.601 1403 2HD LYS 89 1HD LYS 89 -24.682 -1.796 -24.614 1404 1HE LYS 89 2HE LYS 89 -25.235 -2.042 -22.168 1405 2HE LYS 89 1HE LYS 89 -24.470 -3.494 -22.845 1406 1HZ LYS 89 1HZ LYS 89 -23.439 -2.687 -20.735 1407 2HZ LYS 89 2HZ LYS 89 -22.955 -1.285 -21.564 1408 3HZ LYS 89 3HZ LYS 89 -22.360 -2.803 -22.038 1409 H PHE 90 HN PHE 90 -21.649 0.356 -27.836 1410 HA PHE 90 HA PHE 90 -20.035 -0.743 -30.056 1411 1HB PHE 90 2HB PHE 90 -21.981 -1.292 -31.397 1412 2HB PHE 90 1HB PHE 90 -22.140 -2.108 -29.842 1413 HD1 PHE 90 HD1 PHE 90 -23.798 -1.411 -28.204 1414 HD2 PHE 90 HD2 PHE 90 -23.348 0.687 -31.930 1415 HE1 PHE 90 HE1 PHE 90 -25.946 -0.233 -27.801 1416 HE2 PHE 90 HE2 PHE 90 -25.496 1.864 -31.527 1417 HZ PHE 90 HZ PHE 90 -26.795 1.403 -29.463 1418 H SER 91 HN SER 91 -20.135 0.643 -31.965 1419 HA SER 91 HA SER 91 -21.711 3.116 -31.846 1420 1HB SER 91 2HB SER 91 -19.794 4.600 -31.857 1421 2HB SER 91 1HB SER 91 -19.612 3.506 -30.489 1422 HG SER 91 HG SER 91 -17.933 2.632 -31.421 1423 H ASP 92 HN ASP 92 -21.549 4.287 -33.954 1424 HA ASP 92 HA ASP 92 -21.483 2.459 -36.181 1425 1HB ASP 92 2HB ASP 92 -21.626 5.472 -35.895 1426 2HB ASP 92 1HB ASP 92 -21.791 4.647 -37.446 1427 H GLU 93 HN GLU 93 -19.144 4.806 -34.895 1428 HA GLU 93 HA GLU 93 -17.250 4.043 -37.062 1429 1HB GLU 93 2HB GLU 93 -17.724 6.337 -37.211 1430 2HB GLU 93 1HB GLU 93 -17.879 6.515 -35.465 1431 1HG GLU 93 2HG GLU 93 -15.607 6.616 -35.135 1432 2HG GLU 93 1HG GLU 93 -15.237 5.727 -36.610 1433 H ILE 94 HN ILE 94 -17.299 2.154 -35.175 1434 HA ILE 94 HA ILE 94 -15.824 2.611 -32.754 1435 HB ILE 94 HB ILE 94 -16.298 0.154 -34.476 1436 1HG1 ILE 94 2HG1 ILE 94 -17.584 0.824 -31.828 1437 2HG1 ILE 94 1HG1 ILE 94 -18.223 1.468 -33.340 1438 1HG2 ILE 94 1HG2 ILE 94 -15.336 -1.190 -32.864 1439 2HG2 ILE 94 2HG2 ILE 94 -15.653 -0.041 -31.565 1440 3HG2 ILE 94 3HG2 ILE 94 -14.316 0.236 -32.680 1441 1HD1 ILE 94 1HD1 ILE 94 -18.593 -1.146 -32.228 1442 2HD1 ILE 94 2HD1 ILE 94 -17.715 -1.301 -33.750 1443 3HD1 ILE 94 3HD1 ILE 94 -19.276 -0.482 -33.712 1444 H GLY 95 HN GLY 95 -14.820 1.551 -35.994 1445 1HA GLY 95 2HA GLY 95 -12.348 0.528 -35.639 1446 2HA GLY 95 1HA GLY 95 -12.650 1.641 -36.973 1447 H GLY 96 HN GLY 96 -11.230 1.293 -33.808 1448 1HA GLY 96 2HA GLY 96 -9.675 3.755 -34.308 1449 2HA GLY 96 1HA GLY 96 -10.601 3.712 -32.807 1450 H HIS 97 HN HIS 97 -7.624 3.679 -33.295 1451 HA HIS 97 HA HIS 97 -5.716 2.472 -32.550 1452 1HB HIS 97 2HB HIS 97 -7.909 2.262 -30.503 1453 2HB HIS 97 1HB HIS 97 -6.359 1.479 -30.196 1454 HD1 HIS 97 HD1 HIS 97 -7.944 4.860 -30.608 1455 HD2 HIS 97 HD2 HIS 97 -4.180 3.268 -29.782 1456 HE1 HIS 97 HE1 HIS 97 -6.497 6.796 -29.849 1457 HN3 RBF 98 HN3 RBF 98 4.243 6.660 -13.410 1458 HC6 RBF 98 HC6 RBF 98 2.789 4.680 -19.912 1459 1HC7 RBF 98 1HC7 RBF 98 2.151 4.336 -22.120 1460 2HC7 RBF 98 2HC7 RBF 98 1.917 5.795 -23.105 1461 3HC7 RBF 98 3HC7 RBF 98 0.509 4.915 -22.472 1462 1HC8 RBF 98 1HC8 RBF 98 0.687 8.547 -22.702 1463 2HC8 RBF 98 2HC8 RBF 98 -0.845 8.153 -21.889 1464 3HC8 RBF 98 3HC8 RBF 98 -0.023 6.928 -22.882 1465 HC9 RBF 98 HC9 RBF 98 0.389 9.025 -19.812 1466 1HC1 RBF 98 1HC1 RBF 98 1.389 10.381 -18.175 1467 2HC1 RBF 98 2HC1 RBF 98 1.072 10.116 -16.450 1468 HC2* RBF 98 HC2* RBF 98 -0.724 8.511 -18.095 1469 HO2* RBF 98 HO2* RBF 98 -0.215 11.096 -18.920 1470 HC3* RBF 98 HC3* RBF 98 -0.721 10.265 -15.736 1471 HO3* RBF 98 HO3* RBF 98 -1.152 8.110 -15.439 1472 HC4* RBF 98 HC4* RBF 98 -3.268 10.650 -16.004 1473 HO4* RBF 98 HO4* RBF 98 -3.335 11.049 -18.588 1474 1HC5 RBF 98 1HC5 RBF 98 -1.809 12.543 -15.970 1475 2HC5 RBF 98 2HC5 RBF 98 -1.147 12.154 -17.570 1476 HO5* RBF 98 HO5* RBF 98 -3.923 12.506 -17.461 1477 HN3 RBF 99 HN3 RBF 99 -18.833 -6.512 -12.438 1478 HC6 RBF 99 HC6 RBF 99 -17.605 -5.133 -19.140 1479 1HC7 RBF 99 1HC7 RBF 99 -17.045 -4.993 -21.390 1480 2HC7 RBF 99 2HC7 RBF 99 -16.850 -6.537 -22.247 1481 3HC7 RBF 99 3HC7 RBF 99 -15.418 -5.611 -21.747 1482 1HC8 RBF 99 1HC8 RBF 99 -15.611 -9.247 -21.638 1483 2HC8 RBF 99 2HC8 RBF 99 -14.051 -8.790 -20.920 1484 3HC8 RBF 99 3HC8 RBF 99 -14.904 -7.656 -21.990 1485 HC9 RBF 99 HC9 RBF 99 -15.212 -9.463 -18.729 1486 1HC1 RBF 99 1HC1 RBF 99 -16.156 -10.660 -16.941 1487 2HC1 RBF 99 2HC1 RBF 99 -15.777 -10.240 -15.260 1488 HC2* RBF 99 HC2* RBF 99 -14.040 -8.798 -17.105 1489 HO2* RBF 99 HO2* RBF 99 -14.580 -11.447 -17.674 1490 HC3* RBF 99 HC3* RBF 99 -13.960 -10.333 -14.598 1491 HO3* RBF 99 HO3* RBF 99 -13.515 -8.163 -14.514 1492 HC4* RBF 99 HC4* RBF 99 -11.426 -10.754 -14.920 1493 HO4* RBF 99 HO4* RBF 99 -11.451 -11.387 -17.458 1494 1HC5 RBF 99 1HC5 RBF 99 -12.886 -12.630 -14.662 1495 2HC5 RBF 99 2HC5 RBF 99 -13.604 -12.385 -16.268 1496 HO5* RBF 99 HO5* RBF 99 -10.826 -12.738 -16.226 Start of MODEL 13 1 1H MET 1 1HT MET 1 -15.049 -0.591 -29.783 2 2H MET 1 2HT MET 1 -14.296 0.354 -28.589 3 3H MET 1 3HT MET 1 -15.915 -0.124 -28.401 4 HA MET 1 HA MET 1 -15.385 -2.245 -27.775 5 1HB MET 1 2HB MET 1 -14.314 -2.702 -29.917 6 2HB MET 1 1HB MET 1 -12.900 -1.758 -29.446 7 1HG MET 1 2HG MET 1 -12.460 -4.161 -29.148 8 2HG MET 1 1HG MET 1 -12.470 -3.337 -27.589 9 1HE MET 1 1HE MET 1 -14.604 -4.522 -30.235 10 2HE MET 1 2HE MET 1 -16.178 -4.661 -29.457 11 3HE MET 1 3HE MET 1 -15.180 -6.096 -29.671 12 H PHE 2 HN PHE 2 -14.188 -2.982 -25.918 13 HA PHE 2 HA PHE 2 -11.794 -1.740 -24.977 14 1HB PHE 2 2HB PHE 2 -12.781 -0.451 -23.111 15 2HB PHE 2 1HB PHE 2 -13.339 0.167 -24.663 16 HD1 PHE 2 HD1 PHE 2 -14.274 -2.236 -21.946 17 HD2 PHE 2 HD2 PHE 2 -15.669 0.369 -25.082 18 HE1 PHE 2 HE1 PHE 2 -16.620 -2.633 -21.241 19 HE2 PHE 2 HE2 PHE 2 -18.005 -0.042 -24.370 20 HZ PHE 2 HZ PHE 2 -18.483 -1.538 -22.454 21 H THR 3 HN THR 3 -10.982 -2.975 -23.240 22 HA THR 3 HA THR 3 -12.855 -4.877 -21.925 23 HB THR 3 HB THR 3 -11.512 -6.739 -22.563 24 HG1 THR 3 HG1 THR 3 -9.542 -5.008 -23.603 25 1HG2 THR 3 1HG2 THR 3 -11.013 -5.139 -25.037 26 2HG2 THR 3 2HG2 THR 3 -12.685 -5.316 -24.505 27 3HG2 THR 3 3HG2 THR 3 -11.714 -6.746 -24.862 28 H GLY 4 HN GLY 4 -9.625 -3.401 -22.077 29 1HA GLY 4 2HA GLY 4 -7.996 -3.111 -20.415 30 2HA GLY 4 1HA GLY 4 -9.358 -2.603 -19.419 31 H ILE 5 HN ILE 5 -9.266 -5.802 -20.788 32 HA ILE 5 HA ILE 5 -9.483 -6.979 -18.112 33 HB ILE 5 HB ILE 5 -9.141 -8.275 -20.837 34 1HG1 ILE 5 2HG1 ILE 5 -10.954 -6.614 -20.832 35 2HG1 ILE 5 1HG1 ILE 5 -11.606 -8.245 -20.933 36 1HG2 ILE 5 1HG2 ILE 5 -9.046 -10.045 -19.350 37 2HG2 ILE 5 2HG2 ILE 5 -10.792 -9.897 -19.543 38 3HG2 ILE 5 3HG2 ILE 5 -10.000 -9.204 -18.128 39 1HD1 ILE 5 1HD1 ILE 5 -11.398 -6.548 -18.427 40 2HD1 ILE 5 2HD1 ILE 5 -11.998 -8.205 -18.481 41 3HD1 ILE 5 3HD1 ILE 5 -12.880 -6.920 -19.306 42 H VAL 6 HN VAL 6 -7.770 -7.566 -16.884 43 HA VAL 6 HA VAL 6 -5.098 -7.145 -17.931 44 HB VAL 6 HB VAL 6 -6.407 -7.700 -15.285 45 1HG1 VAL 6 1HG1 VAL 6 -4.033 -7.423 -14.315 46 2HG1 VAL 6 2HG1 VAL 6 -3.457 -7.875 -15.920 47 3HG1 VAL 6 3HG1 VAL 6 -4.439 -9.003 -14.986 48 1HG2 VAL 6 1HG2 VAL 6 -6.287 -5.454 -15.241 49 2HG2 VAL 6 2HG2 VAL 6 -5.446 -5.455 -16.789 50 3HG2 VAL 6 3HG2 VAL 6 -4.528 -5.572 -15.289 51 H GLN 7 HN GLN 7 -3.432 -8.610 -18.132 52 HA GLN 7 HA GLN 7 -4.037 -11.402 -18.625 53 1HB GLN 7 2HB GLN 7 -1.500 -9.769 -18.340 54 2HB GLN 7 1HB GLN 7 -1.513 -11.464 -18.831 55 1HG GLN 7 2HG GLN 7 -2.969 -10.906 -20.742 56 2HG GLN 7 1HG GLN 7 -2.955 -9.210 -20.257 57 1HE2 GLN 7 1HE2 GLN 7 -1.780 -10.706 -22.713 58 2HE2 GLN 7 2HE2 GLN 7 -0.174 -10.162 -22.776 59 H GLY 8 HN GLY 8 -2.657 -9.563 -15.862 60 1HA GLY 8 2HA GLY 8 -3.058 -11.913 -14.126 61 2HA GLY 8 1HA GLY 8 -1.367 -11.542 -14.458 62 H THR 9 HN THR 9 -2.109 -11.394 -11.858 63 HA THR 9 HA THR 9 -2.587 -8.484 -11.339 64 HB THR 9 HB THR 9 -3.202 -9.455 -9.028 65 HG1 THR 9 HG1 THR 9 -2.505 -11.470 -9.017 66 1HG2 THR 9 1HG2 THR 9 -5.166 -8.899 -10.012 67 2HG2 THR 9 2HG2 THR 9 -5.313 -10.622 -10.368 68 3HG2 THR 9 3HG2 THR 9 -4.652 -9.526 -11.579 69 H ALA 10 HN ALA 10 -1.469 -7.700 -9.317 70 HA ALA 10 HA ALA 10 1.250 -8.913 -8.942 71 1HB ALA 10 1HB ALA 10 2.027 -7.101 -10.061 72 2HB ALA 10 2HB ALA 10 1.422 -6.106 -8.737 73 3HB ALA 10 3HB ALA 10 0.407 -6.402 -10.153 74 H LYS 11 HN LYS 11 2.076 -8.604 -6.815 75 HA LYS 11 HA LYS 11 0.031 -7.676 -4.833 76 1HB LYS 11 2HB LYS 11 0.881 -9.975 -4.630 77 2HB LYS 11 1HB LYS 11 2.528 -9.359 -4.558 78 1HG LYS 11 2HG LYS 11 2.045 -8.153 -2.499 79 2HG LYS 11 1HG LYS 11 0.352 -8.637 -2.582 80 1HD LYS 11 2HD LYS 11 0.783 -10.682 -1.723 81 2HD LYS 11 1HD LYS 11 2.205 -10.903 -2.745 82 1HE LYS 11 2HE LYS 11 3.451 -9.313 -1.205 83 2HE LYS 11 1HE LYS 11 2.053 -9.397 -0.113 84 1HZ LYS 11 1HZ LYS 11 4.012 -11.444 -0.766 85 2HZ LYS 11 2HZ LYS 11 2.400 -11.975 -0.690 86 3HZ LYS 11 3HZ LYS 11 3.113 -11.220 0.655 87 H LEU 12 HN LEU 12 0.376 -5.555 -4.302 88 HA LEU 12 HA LEU 12 2.833 -4.096 -4.469 89 1HB LEU 12 2HB LEU 12 0.285 -3.461 -4.024 90 2HB LEU 12 1HB LEU 12 0.750 -3.646 -2.352 91 HG LEU 12 HG LEU 12 2.451 -1.943 -2.559 92 1HD1 LEU 12 1HD1 LEU 12 3.399 -2.291 -4.693 93 2HD1 LEU 12 2HD1 LEU 12 2.565 -0.747 -4.868 94 3HD1 LEU 12 3HD1 LEU 12 1.832 -2.221 -5.499 95 1HD2 LEU 12 1HD2 LEU 12 0.800 -0.429 -2.278 96 2HD2 LEU 12 2HD2 LEU 12 -0.332 -1.476 -3.135 97 3HD2 LEU 12 3HD2 LEU 12 0.639 -0.307 -4.030 98 H VAL 13 HN VAL 13 4.618 -4.330 -3.224 99 HA VAL 13 HA VAL 13 4.311 -5.677 -0.568 100 HB VAL 13 HB VAL 13 5.256 -7.265 -2.026 101 1HG1 VAL 13 1HG1 VAL 13 6.315 -4.923 -3.392 102 2HG1 VAL 13 2HG1 VAL 13 5.984 -6.538 -4.024 103 3HG1 VAL 13 3HG1 VAL 13 7.519 -6.199 -3.219 104 1HG2 VAL 13 1HG2 VAL 13 7.167 -7.750 -0.873 105 2HG2 VAL 13 2HG2 VAL 13 6.688 -6.351 0.090 106 3HG2 VAL 13 3HG2 VAL 13 7.872 -6.166 -1.202 107 H SER 14 HN SER 14 5.994 -3.290 -2.528 108 HA SER 14 HA SER 14 6.932 -2.007 0.021 109 1HB SER 14 2HB SER 14 8.554 -3.585 -1.408 110 2HB SER 14 1HB SER 14 8.774 -2.098 -2.320 111 HG SER 14 HG SER 14 9.398 -2.692 0.348 112 H ILE 15 HN ILE 15 7.006 0.246 -0.068 113 HA ILE 15 HA ILE 15 6.423 1.531 -2.721 114 HB ILE 15 HB ILE 15 6.011 2.729 0.029 115 1HG1 ILE 15 2HG1 ILE 15 4.139 1.153 -1.748 116 2HG1 ILE 15 1HG1 ILE 15 4.592 0.824 -0.079 117 1HG2 ILE 15 1HG2 ILE 15 5.749 4.575 -1.250 118 2HG2 ILE 15 2HG2 ILE 15 4.259 3.844 -1.846 119 3HG2 ILE 15 3HG2 ILE 15 5.765 3.632 -2.737 120 1HD1 ILE 15 1HD1 ILE 15 2.423 2.431 -1.038 121 2HD1 ILE 15 2HD1 ILE 15 3.548 3.468 -0.157 122 3HD1 ILE 15 3HD1 ILE 15 2.849 2.054 0.631 123 H ASP 16 HN ASP 16 8.054 2.748 -3.501 124 HA ASP 16 HA ASP 16 10.226 3.624 -1.645 125 1HB ASP 16 2HB ASP 16 10.086 2.904 -4.566 126 2HB ASP 16 1HB ASP 16 11.412 3.893 -3.953 127 H GLU 17 HN GLU 17 9.894 5.767 -1.093 128 HA GLU 17 HA GLU 17 8.535 7.525 -3.090 129 1HB GLU 17 2HB GLU 17 7.564 7.317 -0.832 130 2HB GLU 17 1HB GLU 17 9.093 7.839 -0.122 131 1HG GLU 17 2HG GLU 17 8.913 9.995 -1.309 132 2HG GLU 17 1HG GLU 17 7.383 9.477 -2.018 133 H LYS 18 HN LYS 18 10.032 8.532 -4.378 134 HA LYS 18 HA LYS 18 12.515 9.624 -3.115 135 1HB LYS 18 2HB LYS 18 11.876 9.628 -6.061 136 2HB LYS 18 1HB LYS 18 13.449 9.569 -5.278 137 1HG LYS 18 2HG LYS 18 12.092 7.262 -4.398 138 2HG LYS 18 1HG LYS 18 11.757 7.379 -6.126 139 1HD LYS 18 2HD LYS 18 13.797 6.168 -5.983 140 2HD LYS 18 1HD LYS 18 14.276 7.813 -6.408 141 1HE LYS 18 2HE LYS 18 14.653 8.280 -3.969 142 2HE LYS 18 1HE LYS 18 14.341 6.564 -3.641 143 1HZ LYS 18 1HZ LYS 18 16.340 7.541 -5.608 144 2HZ LYS 18 2HZ LYS 18 16.100 5.936 -5.104 145 3HZ LYS 18 3HZ LYS 18 16.729 7.085 -4.021 146 HA PRO 19 HA PRO 19 10.470 13.530 -2.880 147 1HB PRO 19 2HB PRO 19 12.838 15.025 -3.283 148 2HB PRO 19 1HB PRO 19 12.160 14.529 -1.722 149 1HG PRO 19 2HG PRO 19 14.343 13.304 -3.309 150 2HG PRO 19 1HG PRO 19 14.123 13.380 -1.554 151 1HD PRO 19 2HD PRO 19 13.708 11.113 -2.931 152 2HD PRO 19 1HD PRO 19 12.716 11.542 -1.516 153 H ASN 20 HN ASN 20 12.775 12.765 -5.457 154 HA ASN 20 HA ASN 20 11.806 14.809 -7.305 155 1HB ASN 20 2HB ASN 20 13.247 12.212 -7.903 156 2HB ASN 20 1HB ASN 20 13.312 13.717 -8.822 157 1HD2 ASN 20 1HD2 ASN 20 14.532 12.061 -5.966 158 2HD2 ASN 20 2HD2 ASN 20 15.668 13.243 -5.537 159 H PHE 21 HN PHE 21 11.177 11.348 -6.750 160 HA PHE 21 HA PHE 21 8.646 11.555 -8.293 161 1HB PHE 21 2HB PHE 21 10.830 9.545 -8.928 162 2HB PHE 21 1HB PHE 21 9.328 9.794 -9.819 163 HD1 PHE 21 HD1 PHE 21 12.743 10.914 -9.311 164 HD2 PHE 21 HD2 PHE 21 8.951 11.975 -11.035 165 HE1 PHE 21 HE1 PHE 21 13.858 12.642 -10.700 166 HE2 PHE 21 HE2 PHE 21 10.066 13.704 -12.423 167 HZ PHE 21 HZ PHE 21 12.520 14.037 -12.256 168 H ARG 22 HN ARG 22 7.171 9.849 -7.729 169 HA ARG 22 HA ARG 22 7.858 8.352 -5.261 170 1HB ARG 22 2HB ARG 22 5.706 9.546 -5.486 171 2HB ARG 22 1HB ARG 22 5.313 8.564 -6.897 172 1HG ARG 22 2HG ARG 22 5.257 6.552 -5.582 173 2HG ARG 22 1HG ARG 22 5.918 7.387 -4.175 174 1HD ARG 22 2HD ARG 22 3.885 8.802 -4.064 175 2HD ARG 22 1HD ARG 22 3.206 7.918 -5.445 176 HE ARG 22 HE ARG 22 3.849 5.862 -3.799 177 1HH1 ARG 22 1HH1 ARG 22 2.240 8.876 -3.236 178 2HH1 ARG 22 2HH1 ARG 22 1.337 8.282 -1.885 179 1HH2 ARG 22 1HH2 ARG 22 2.671 5.089 -2.042 180 2HH2 ARG 22 2HH2 ARG 22 1.577 6.145 -1.212 181 H THR 23 HN THR 23 7.973 6.103 -5.223 182 HA THR 23 HA THR 23 7.898 4.682 -7.857 183 HB THR 23 HB THR 23 9.878 4.443 -5.567 184 HG1 THR 23 HG1 THR 23 10.663 5.155 -8.121 185 1HG2 THR 23 1HG2 THR 23 10.676 3.249 -8.079 186 2HG2 THR 23 2HG2 THR 23 9.147 2.561 -7.532 187 3HG2 THR 23 3HG2 THR 23 10.565 2.506 -6.484 188 H HIS 24 HN HIS 24 6.912 2.650 -7.778 189 HA HIS 24 HA HIS 24 6.220 1.576 -5.070 190 1HB HIS 24 2HB HIS 24 4.566 2.461 -7.296 191 2HB HIS 24 1HB HIS 24 4.212 0.799 -6.827 192 HD1 HIS 24 HD1 HIS 24 2.877 3.895 -6.112 193 HD2 HIS 24 HD2 HIS 24 4.448 0.960 -3.603 194 HE1 HIS 24 HE1 HIS 24 1.948 4.349 -3.797 195 H VAL 25 HN VAL 25 6.368 -0.688 -4.882 196 HA VAL 25 HA VAL 25 7.286 -2.158 -7.326 197 HB VAL 25 HB VAL 25 8.092 -2.697 -4.472 198 1HG1 VAL 25 1HG1 VAL 25 9.951 -3.894 -5.527 199 2HG1 VAL 25 2HG1 VAL 25 9.378 -3.406 -7.121 200 3HG1 VAL 25 3HG1 VAL 25 8.413 -4.507 -6.137 201 1HG2 VAL 25 1HG2 VAL 25 10.191 -1.484 -6.020 202 2HG2 VAL 25 2HG2 VAL 25 9.487 -0.927 -4.503 203 3HG2 VAL 25 3HG2 VAL 25 8.779 -0.428 -6.038 204 H VAL 26 HN VAL 26 6.165 -3.978 -7.773 205 HA VAL 26 HA VAL 26 4.236 -5.018 -5.727 206 HB VAL 26 HB VAL 26 2.922 -5.729 -7.660 207 1HG1 VAL 26 1HG1 VAL 26 3.342 -3.219 -8.892 208 2HG1 VAL 26 2HG1 VAL 26 3.689 -2.989 -7.179 209 3HG1 VAL 26 3HG1 VAL 26 2.122 -3.622 -7.684 210 1HG2 VAL 26 1HG2 VAL 26 4.781 -6.400 -9.109 211 2HG2 VAL 26 2HG2 VAL 26 5.273 -4.714 -9.284 212 3HG2 VAL 26 3HG2 VAL 26 3.738 -5.260 -9.959 213 H GLU 27 HN GLU 27 3.824 -7.472 -6.127 214 HA GLU 27 HA GLU 27 6.431 -8.862 -6.562 215 1HB GLU 27 2HB GLU 27 4.791 -8.812 -4.417 216 2HB GLU 27 1HB GLU 27 4.035 -10.107 -5.336 217 1HG GLU 27 2HG GLU 27 5.921 -11.484 -5.219 218 2HG GLU 27 1HG GLU 27 7.004 -10.131 -4.894 219 H LEU 28 HN LEU 28 6.510 -9.742 -8.565 220 HA LEU 28 HA LEU 28 4.147 -10.026 -10.198 221 1HB LEU 28 2HB LEU 28 6.709 -9.440 -10.627 222 2HB LEU 28 1HB LEU 28 6.831 -11.179 -10.870 223 HG LEU 28 HG LEU 28 5.208 -11.119 -12.655 224 1HD1 LEU 28 1HD1 LEU 28 3.527 -9.619 -12.436 225 2HD1 LEU 28 2HD1 LEU 28 4.638 -8.428 -13.116 226 3HD1 LEU 28 3HD1 LEU 28 4.488 -8.597 -11.367 227 1HD2 LEU 28 1HD2 LEU 28 7.341 -10.540 -13.510 228 2HD2 LEU 28 2HD2 LEU 28 7.310 -8.952 -12.749 229 3HD2 LEU 28 3HD2 LEU 28 6.280 -9.284 -14.143 230 HA PRO 29 HA PRO 29 3.272 -14.180 -8.818 231 1HB PRO 29 2HB PRO 29 1.313 -14.669 -10.680 232 2HB PRO 29 1HB PRO 29 1.044 -13.788 -9.166 233 1HG PRO 29 2HG PRO 29 1.426 -12.741 -11.920 234 2HG PRO 29 1HG PRO 29 0.379 -12.152 -10.621 235 1HD PRO 29 2HD PRO 29 2.726 -10.965 -11.282 236 2HD PRO 29 1HD PRO 29 2.058 -10.943 -9.636 237 H ASP 30 HN ASP 30 2.845 -16.336 -10.187 238 HA ASP 30 HA ASP 30 5.297 -16.949 -11.451 239 1HB ASP 30 2HB ASP 30 3.690 -18.492 -10.307 240 2HB ASP 30 1HB ASP 30 2.626 -18.357 -11.708 241 H HIS 31 HN HIS 31 2.119 -16.215 -12.927 242 HA HIS 31 HA HIS 31 3.236 -16.694 -15.603 243 1HB HIS 31 2HB HIS 31 0.913 -16.356 -16.309 244 2HB HIS 31 1HB HIS 31 0.977 -17.438 -14.922 245 HD1 HIS 31 HD1 HIS 31 1.597 -14.465 -13.272 246 HD2 HIS 31 HD2 HIS 31 -1.816 -15.897 -15.187 247 HE1 HIS 31 HE1 HIS 31 -0.363 -13.188 -12.302 248 H MET 32 HN MET 32 3.422 -14.101 -13.568 249 HA MET 32 HA MET 32 3.511 -12.182 -15.878 250 1HB MET 32 2HB MET 32 3.341 -11.696 -12.885 251 2HB MET 32 1HB MET 32 3.431 -10.433 -14.111 252 1HG MET 32 2HG MET 32 1.233 -12.507 -13.886 253 2HG MET 32 1HG MET 32 1.097 -10.812 -13.417 254 1HE MET 32 1HE MET 32 1.208 -8.803 -16.586 255 2HE MET 32 2HE MET 32 2.543 -9.136 -15.487 256 3HE MET 32 3HE MET 32 0.923 -8.880 -14.842 257 H LEU 33 HN LEU 33 5.324 -13.997 -13.591 258 HA LEU 33 HA LEU 33 7.705 -12.353 -13.452 259 1HB LEU 33 2HB LEU 33 6.967 -15.229 -12.943 260 2HB LEU 33 1HB LEU 33 8.649 -14.710 -12.839 261 HG LEU 33 HG LEU 33 6.484 -13.204 -11.374 262 1HD1 LEU 33 1HD1 LEU 33 8.125 -15.358 -10.063 263 2HD1 LEU 33 2HD1 LEU 33 6.613 -15.775 -10.867 264 3HD1 LEU 33 3HD1 LEU 33 6.610 -14.636 -9.523 265 1HD2 LEU 33 1HD2 LEU 33 8.251 -12.226 -10.242 266 2HD2 LEU 33 2HD2 LEU 33 9.036 -12.550 -11.788 267 3HD2 LEU 33 3HD2 LEU 33 9.287 -13.641 -10.425 268 H ASP 34 HN ASP 34 6.374 -14.517 -15.821 269 HA ASP 34 HA ASP 34 8.967 -14.838 -17.223 270 1HB ASP 34 2HB ASP 34 6.165 -15.934 -17.454 271 2HB ASP 34 1HB ASP 34 7.361 -16.226 -18.719 272 H GLY 35 HN GLY 35 9.535 -13.190 -18.599 273 1HA GLY 35 2HA GLY 35 9.055 -12.340 -20.868 274 2HA GLY 35 1HA GLY 35 7.383 -12.108 -20.365 275 H LEU 36 HN LEU 36 7.592 -10.733 -18.010 276 HA LEU 36 HA LEU 36 7.890 -8.100 -18.948 277 1HB LEU 36 2HB LEU 36 6.574 -8.940 -16.975 278 2HB LEU 36 1HB LEU 36 8.089 -9.045 -16.075 279 HG LEU 36 HG LEU 36 7.461 -6.473 -17.465 280 1HD1 LEU 36 1HD1 LEU 36 6.120 -7.482 -14.948 281 2HD1 LEU 36 2HD1 LEU 36 5.353 -6.830 -16.397 282 3HD1 LEU 36 3HD1 LEU 36 6.263 -5.766 -15.324 283 1HD2 LEU 36 1HD2 LEU 36 8.443 -6.605 -14.674 284 2HD2 LEU 36 2HD2 LEU 36 9.035 -5.647 -16.031 285 3HD2 LEU 36 3HD2 LEU 36 9.503 -7.341 -15.877 286 H GLU 37 HN GLU 37 9.403 -6.421 -18.283 287 HA GLU 37 HA GLU 37 12.027 -7.193 -17.189 288 1HB GLU 37 2HB GLU 37 13.221 -6.626 -19.232 289 2HB GLU 37 1HB GLU 37 11.984 -7.813 -19.645 290 1HG GLU 37 2HG GLU 37 10.481 -5.997 -20.377 291 2HG GLU 37 1HG GLU 37 11.719 -4.810 -19.969 292 H THR 38 HN THR 38 13.387 -5.170 -16.918 293 HA THR 38 HA THR 38 11.762 -3.001 -15.940 294 HB THR 38 HB THR 38 14.363 -2.080 -16.176 295 HG1 THR 38 HG1 THR 38 15.497 -4.064 -15.502 296 1HG2 THR 38 1HG2 THR 38 14.457 -3.406 -13.823 297 2HG2 THR 38 2HG2 THR 38 12.720 -3.434 -14.127 298 3HG2 THR 38 3HG2 THR 38 13.575 -1.895 -14.047 299 H GLY 39 HN GLY 39 11.608 -0.839 -16.791 300 1HA GLY 39 2HA GLY 39 11.570 0.804 -18.505 301 2HA GLY 39 1HA GLY 39 12.534 -0.266 -19.520 302 H ALA 40 HN ALA 40 10.234 -2.251 -18.360 303 HA ALA 40 HA ALA 40 8.645 -2.247 -20.805 304 1HB ALA 40 1HB ALA 40 9.074 -4.327 -19.713 305 2HB ALA 40 2HB ALA 40 7.378 -3.981 -19.369 306 3HB ALA 40 3HB ALA 40 8.607 -3.678 -18.139 307 H SER 41 HN SER 41 6.249 -1.905 -20.776 308 HA SER 41 HA SER 41 5.514 0.264 -18.854 309 1HB SER 41 2HB SER 41 3.545 0.251 -20.683 310 2HB SER 41 1HB SER 41 5.085 1.050 -20.981 311 HG SER 41 HG SER 41 5.260 -0.281 -22.588 312 H VAL 42 HN VAL 42 4.702 -0.774 -17.030 313 HA VAL 42 HA VAL 42 2.797 -3.023 -17.304 314 HB VAL 42 HB VAL 42 4.363 -1.666 -15.144 315 1HG1 VAL 42 1HG1 VAL 42 2.783 -3.318 -13.661 316 2HG1 VAL 42 2HG1 VAL 42 1.605 -2.653 -14.793 317 3HG1 VAL 42 3HG1 VAL 42 2.556 -1.572 -13.772 318 1HG2 VAL 42 1HG2 VAL 42 4.239 -4.188 -16.455 319 2HG2 VAL 42 2HG2 VAL 42 3.839 -4.438 -14.756 320 3HG2 VAL 42 3HG2 VAL 42 5.368 -3.673 -15.199 321 H ALA 43 HN ALA 43 0.617 -2.697 -17.284 322 HA ALA 43 HA ALA 43 -0.402 0.021 -16.575 323 1HB ALA 43 1HB ALA 43 -2.547 -1.406 -17.473 324 2HB ALA 43 2HB ALA 43 -1.236 -2.217 -18.330 325 3HB ALA 43 3HB ALA 43 -1.482 -0.481 -18.532 326 H HIS 44 HN HIS 44 -1.109 0.200 -14.482 327 HA HIS 44 HA HIS 44 -1.739 -2.243 -12.927 328 1HB HIS 44 2HB HIS 44 -1.202 0.657 -12.407 329 2HB HIS 44 1HB HIS 44 -2.130 -0.238 -11.204 330 HD1 HIS 44 HD1 HIS 44 0.752 -1.612 -13.290 331 HD2 HIS 44 HD2 HIS 44 -0.155 -0.715 -9.312 332 HE1 HIS 44 HE1 HIS 44 2.672 -2.497 -11.893 333 HE2 HIS 44 HE2 HIS 44 2.121 -1.958 -9.481 334 H ASN 45 HN ASN 45 -3.702 -2.993 -13.428 335 HA ASN 45 HA ASN 45 -5.961 -3.116 -13.978 336 1HB ASN 45 2HB ASN 45 -5.831 -1.693 -11.710 337 2HB ASN 45 1HB ASN 45 -6.489 -0.445 -12.774 338 1HD2 ASN 45 1HD2 ASN 45 -7.247 -3.382 -11.073 339 2HD2 ASN 45 2HD2 ASN 45 -8.834 -3.553 -11.637 340 H GLY 46 HN GLY 46 -3.864 -1.147 -15.468 341 1HA GLY 46 2HA GLY 46 -4.598 -0.869 -17.854 342 2HA GLY 46 1HA GLY 46 -6.002 -0.019 -17.217 343 H CYS 47 HN CYS 47 -3.623 1.065 -15.211 344 HA CYS 47 HA CYS 47 -3.175 3.462 -16.920 345 1HB CYS 47 2HB CYS 47 -3.941 3.501 -14.469 346 2HB CYS 47 1HB CYS 47 -2.311 2.967 -14.058 347 HG CYS 47 HG CYS 47 -2.432 5.626 -14.060 348 H CYS 48 HN CYS 48 -1.478 3.073 -18.322 349 HA CYS 48 HA CYS 48 0.584 1.163 -17.738 350 1HB CYS 48 2HB CYS 48 1.490 2.042 -19.917 351 2HB CYS 48 1HB CYS 48 -0.213 1.593 -19.984 352 HG CYS 48 HG CYS 48 -0.588 4.305 -19.472 353 H LEU 49 HN LEU 49 2.488 1.442 -16.734 354 HA LEU 49 HA LEU 49 3.825 4.090 -16.755 355 1HB LEU 49 2HB LEU 49 4.318 3.601 -14.250 356 2HB LEU 49 1HB LEU 49 2.704 4.175 -14.666 357 HG LEU 49 HG LEU 49 2.992 1.250 -14.814 358 1HD1 LEU 49 1HD1 LEU 49 4.283 2.492 -12.677 359 2HD1 LEU 49 2HD1 LEU 49 3.746 0.808 -12.727 360 3HD1 LEU 49 3HD1 LEU 49 2.706 2.047 -12.021 361 1HD2 LEU 49 1HD2 LEU 49 1.062 2.631 -13.008 362 2HD2 LEU 49 2HD2 LEU 49 0.776 1.329 -14.164 363 3HD2 LEU 49 3HD2 LEU 49 0.921 2.993 -14.727 364 H THR 50 HN THR 50 6.183 3.831 -16.271 365 HA THR 50 HA THR 50 7.090 1.306 -17.495 366 HB THR 50 HB THR 50 8.453 3.933 -16.833 367 HG1 THR 50 HG1 THR 50 6.716 3.451 -18.599 368 1HG2 THR 50 1HG2 THR 50 9.506 1.820 -18.713 369 2HG2 THR 50 2HG2 THR 50 9.910 1.788 -16.997 370 3HG2 THR 50 3HG2 THR 50 10.368 3.175 -17.984 371 H VAL 51 HN VAL 51 8.662 -0.072 -16.621 372 HA VAL 51 HA VAL 51 8.779 -0.267 -13.712 373 HB VAL 51 HB VAL 51 10.354 -1.747 -15.842 374 1HG1 VAL 51 1HG1 VAL 51 11.220 -2.356 -13.761 375 2HG1 VAL 51 2HG1 VAL 51 9.984 -3.581 -14.036 376 3HG1 VAL 51 3HG1 VAL 51 9.655 -2.218 -12.965 377 1HG2 VAL 51 1HG2 VAL 51 7.499 -1.676 -15.314 378 2HG2 VAL 51 2HG2 VAL 51 8.159 -3.292 -15.059 379 3HG2 VAL 51 3HG2 VAL 51 8.380 -2.485 -16.611 380 H THR 52 HN THR 52 10.248 0.850 -12.494 381 HA THR 52 HA THR 52 12.593 2.153 -13.667 382 HB THR 52 HB THR 52 12.846 3.027 -11.443 383 HG1 THR 52 HG1 THR 52 12.710 1.226 -10.203 384 1HG2 THR 52 1HG2 THR 52 10.799 4.095 -11.187 385 2HG2 THR 52 2HG2 THR 52 9.876 2.628 -11.520 386 3HG2 THR 52 3HG2 THR 52 10.657 3.498 -12.840 387 H GLU 53 HN GLU 53 11.985 -0.593 -11.434 388 HA GLU 53 HA GLU 53 14.456 -1.891 -12.393 389 1HB GLU 53 2HB GLU 53 15.243 -0.313 -10.670 390 2HB GLU 53 1HB GLU 53 14.093 -0.992 -9.518 391 1HG GLU 53 2HG GLU 53 15.196 -3.190 -9.704 392 2HG GLU 53 1HG GLU 53 16.350 -2.514 -10.855 393 H ILE 54 HN ILE 54 14.463 -4.137 -11.877 394 HA ILE 54 HA ILE 54 11.920 -5.196 -10.692 395 HB ILE 54 HB ILE 54 14.110 -6.256 -12.490 396 1HG1 ILE 54 2HG1 ILE 54 11.460 -7.014 -13.212 397 2HG1 ILE 54 1HG1 ILE 54 11.419 -5.307 -12.772 398 1HG2 ILE 54 1HG2 ILE 54 12.546 -8.423 -12.253 399 2HG2 ILE 54 2HG2 ILE 54 12.334 -7.772 -10.628 400 3HG2 ILE 54 3HG2 ILE 54 13.949 -8.173 -11.212 401 1HD1 ILE 54 1HD1 ILE 54 13.647 -5.263 -14.264 402 2HD1 ILE 54 2HD1 ILE 54 12.045 -5.088 -14.979 403 3HD1 ILE 54 3HD1 ILE 54 12.858 -6.653 -15.017 404 H ASN 55 HN ASN 55 11.986 -6.243 -8.754 405 HA ASN 55 HA ASN 55 14.642 -6.513 -7.395 406 1HB ASN 55 2HB ASN 55 11.821 -5.930 -6.510 407 2HB ASN 55 1HB ASN 55 12.992 -6.570 -5.355 408 1HD2 ASN 55 1HD2 ASN 55 12.152 -3.751 -7.311 409 2HD2 ASN 55 2HD2 ASN 55 13.313 -2.712 -6.637 410 H GLY 56 HN GLY 56 14.627 -8.599 -8.807 411 1HA GLY 56 2HA GLY 56 14.515 -10.964 -8.782 412 2HA GLY 56 1HA GLY 56 13.736 -10.875 -7.200 413 H ASN 57 HN ASN 57 11.660 -11.593 -7.243 414 HA ASN 57 HA ASN 57 10.147 -11.740 -9.739 415 1HB ASN 57 2HB ASN 57 8.941 -13.229 -8.520 416 2HB ASN 57 1HB ASN 57 10.178 -13.023 -7.299 417 1HD2 ASN 57 1HD2 ASN 57 7.205 -11.425 -8.408 418 2HD2 ASN 57 2HD2 ASN 57 6.643 -10.988 -6.868 419 H HIS 58 HN HIS 58 10.607 -9.438 -7.183 420 HA HIS 58 HA HIS 58 8.103 -8.011 -7.431 421 1HB HIS 58 2HB HIS 58 10.842 -7.505 -6.299 422 2HB HIS 58 1HB HIS 58 9.661 -6.200 -6.349 423 HD1 HIS 58 HD1 HIS 58 10.809 -8.364 -3.938 424 HD2 HIS 58 HD2 HIS 58 6.957 -7.616 -5.343 425 HE1 HIS 58 HE1 HIS 58 9.215 -9.083 -2.107 426 H VAL 59 HN VAL 59 7.905 -5.828 -8.348 427 HA VAL 59 HA VAL 59 10.063 -5.024 -10.206 428 HB VAL 59 HB VAL 59 7.156 -5.480 -10.909 429 1HG1 VAL 59 1HG1 VAL 59 7.303 -3.852 -12.458 430 2HG1 VAL 59 2HG1 VAL 59 8.753 -4.608 -13.120 431 3HG1 VAL 59 3HG1 VAL 59 8.891 -3.423 -11.822 432 1HG2 VAL 59 1HG2 VAL 59 8.848 -6.532 -12.849 433 2HG2 VAL 59 2HG2 VAL 59 8.085 -7.450 -11.551 434 3HG2 VAL 59 3HG2 VAL 59 9.725 -6.826 -11.343 435 H SER 60 HN SER 60 10.523 -2.938 -9.753 436 HA SER 60 HA SER 60 8.600 -1.263 -8.243 437 1HB SER 60 2HB SER 60 10.565 0.014 -7.729 438 2HB SER 60 1HB SER 60 11.068 -1.673 -7.679 439 HG SER 60 HG SER 60 11.931 -1.441 -9.728 440 H PHE 61 HN PHE 61 7.434 0.334 -9.341 441 HA PHE 61 HA PHE 61 8.454 1.172 -12.035 442 1HB PHE 61 2HB PHE 61 5.858 1.514 -12.371 443 2HB PHE 61 1HB PHE 61 6.551 -0.100 -12.507 444 HD1 PHE 61 HD1 PHE 61 4.286 2.045 -10.637 445 HD2 PHE 61 HD2 PHE 61 6.476 -1.652 -10.532 446 HE1 PHE 61 HE1 PHE 61 2.848 1.245 -8.779 447 HE2 PHE 61 HE2 PHE 61 5.046 -2.449 -8.676 448 HZ PHE 61 HZ PHE 61 3.228 -1.005 -7.797 449 H ASP 62 HN ASP 62 7.909 3.383 -12.640 450 HA ASP 62 HA ASP 62 8.115 5.140 -10.275 451 1HB ASP 62 2HB ASP 62 8.819 6.780 -11.971 452 2HB ASP 62 1HB ASP 62 9.667 5.251 -12.210 453 H LEU 63 HN LEU 63 6.838 6.965 -9.942 454 HA LEU 63 HA LEU 63 4.280 7.243 -11.423 455 1HB LEU 63 2HB LEU 63 4.730 5.752 -9.014 456 2HB LEU 63 1HB LEU 63 3.761 7.160 -8.614 457 HG LEU 63 HG LEU 63 2.797 6.027 -11.075 458 1HD1 LEU 63 1HD1 LEU 63 2.647 3.793 -10.684 459 2HD1 LEU 63 2HD1 LEU 63 2.293 4.028 -8.972 460 3HD1 LEU 63 3HD1 LEU 63 3.966 4.058 -9.538 461 1HD2 LEU 63 1HD2 LEU 63 0.709 6.211 -9.995 462 2HD2 LEU 63 2HD2 LEU 63 1.673 7.412 -9.136 463 3HD2 LEU 63 3HD2 LEU 63 1.392 5.829 -8.414 464 H MET 64 HN MET 64 4.112 9.457 -11.702 465 HA MET 64 HA MET 64 5.662 11.299 -10.044 466 1HB MET 64 2HB MET 64 5.264 11.640 -12.451 467 2HB MET 64 1HB MET 64 3.532 11.743 -12.160 468 1HG MET 64 2HG MET 64 4.430 13.997 -12.326 469 2HG MET 64 1HG MET 64 3.946 13.699 -10.656 470 1HE MET 64 1HE MET 64 7.247 12.608 -12.763 471 2HE MET 64 2HE MET 64 8.101 14.118 -12.462 472 3HE MET 64 3HE MET 64 6.523 14.150 -13.242 473 H LYS 65 HN LYS 65 4.896 12.570 -8.370 474 HA LYS 65 HA LYS 65 2.783 11.635 -6.785 475 1HB LYS 65 2HB LYS 65 4.709 12.988 -6.044 476 2HB LYS 65 1HB LYS 65 4.071 14.380 -6.919 477 1HG LYS 65 2HG LYS 65 2.046 14.343 -5.509 478 2HG LYS 65 1HG LYS 65 2.685 12.952 -4.630 479 1HD LYS 65 2HD LYS 65 4.637 14.290 -3.927 480 2HD LYS 65 1HD LYS 65 3.994 15.683 -4.797 481 1HE LYS 65 2HE LYS 65 1.867 15.369 -3.346 482 2HE LYS 65 1HE LYS 65 2.898 14.359 -2.314 483 1HZ LYS 65 1HZ LYS 65 2.996 17.218 -2.776 484 2HZ LYS 65 2HZ LYS 65 4.508 16.442 -2.811 485 3HZ LYS 65 3HZ LYS 65 3.518 16.321 -1.436 486 H GLU 66 HN GLU 66 2.804 14.582 -8.850 487 HA GLU 66 HA GLU 66 0.032 15.215 -8.366 488 1HB GLU 66 2HB GLU 66 1.731 16.812 -9.192 489 2HB GLU 66 1HB GLU 66 1.884 15.879 -10.682 490 1HG GLU 66 2HG GLU 66 -0.421 16.340 -11.279 491 2HG GLU 66 1HG GLU 66 -0.708 17.124 -9.725 492 H THR 67 HN THR 67 1.690 13.331 -10.893 493 HA THR 67 HA THR 67 -0.622 12.694 -12.480 494 HB THR 67 HB THR 67 1.859 11.066 -11.838 495 HG1 THR 67 HG1 THR 67 1.984 13.328 -12.744 496 1HG2 THR 67 1HG2 THR 67 1.242 9.623 -13.473 497 2HG2 THR 67 2HG2 THR 67 0.633 10.915 -14.508 498 3HG2 THR 67 3HG2 THR 67 -0.376 10.272 -13.213 499 H LEU 68 HN LEU 68 0.803 11.244 -9.576 500 HA LEU 68 HA LEU 68 -0.823 8.936 -9.356 501 1HB LEU 68 2HB LEU 68 1.256 9.423 -8.111 502 2HB LEU 68 1HB LEU 68 0.450 10.749 -7.276 503 HG LEU 68 HG LEU 68 -1.290 8.696 -6.797 504 1HD1 LEU 68 1HD1 LEU 68 1.460 7.591 -7.228 505 2HD1 LEU 68 2HD1 LEU 68 -0.107 6.858 -7.573 506 3HD1 LEU 68 3HD1 LEU 68 0.486 6.931 -5.913 507 1HD2 LEU 68 1HD2 LEU 68 0.721 8.660 -4.761 508 2HD2 LEU 68 2HD2 LEU 68 -0.830 9.500 -4.747 509 3HD2 LEU 68 3HD2 LEU 68 0.603 10.304 -5.391 510 H ARG 69 HN ARG 69 -1.239 12.230 -8.045 511 HA ARG 69 HA ARG 69 -3.800 11.714 -6.789 512 1HB ARG 69 2HB ARG 69 -2.258 13.545 -6.179 513 2HB ARG 69 1HB ARG 69 -2.472 14.260 -7.777 514 1HG ARG 69 2HG ARG 69 -3.913 15.382 -6.119 515 2HG ARG 69 1HG ARG 69 -4.887 14.539 -7.325 516 1HD ARG 69 2HD ARG 69 -5.180 12.632 -5.783 517 2HD ARG 69 1HD ARG 69 -4.184 13.460 -4.571 518 HE ARG 69 HE ARG 69 -5.976 14.961 -4.167 519 1HH1 ARG 69 1HH1 ARG 69 -6.464 13.099 -7.039 520 2HH1 ARG 69 2HH1 ARG 69 -8.108 13.604 -7.236 521 1HH2 ARG 69 1HH2 ARG 69 -8.112 15.624 -4.421 522 2HH2 ARG 69 2HH2 ARG 69 -9.039 15.032 -5.759 523 H ILE 70 HN ILE 70 -2.804 12.959 -9.960 524 HA ILE 70 HA ILE 70 -5.391 13.757 -10.871 525 HB ILE 70 HB ILE 70 -2.752 13.946 -11.605 526 1HG1 ILE 70 2HG1 ILE 70 -5.128 14.515 -13.389 527 2HG1 ILE 70 1HG1 ILE 70 -4.600 15.546 -12.058 528 1HG2 ILE 70 1HG2 ILE 70 -2.920 11.695 -12.715 529 2HG2 ILE 70 2HG2 ILE 70 -2.428 13.003 -13.787 530 3HG2 ILE 70 3HG2 ILE 70 -4.085 12.402 -13.833 531 1HD1 ILE 70 1HD1 ILE 70 -3.658 16.429 -14.114 532 2HD1 ILE 70 2HD1 ILE 70 -3.015 14.842 -14.548 533 3HD1 ILE 70 3HD1 ILE 70 -2.351 15.717 -13.168 534 H THR 71 HN THR 71 -3.519 10.780 -11.155 535 HA THR 71 HA THR 71 -5.700 9.373 -12.554 536 HB THR 71 HB THR 71 -4.058 7.559 -12.633 537 HG1 THR 71 HG1 THR 71 -2.285 9.171 -11.159 538 1HG2 THR 71 1HG2 THR 71 -2.330 9.965 -13.031 539 2HG2 THR 71 2HG2 THR 71 -3.810 9.840 -13.981 540 3HG2 THR 71 3HG2 THR 71 -2.581 8.578 -14.090 541 H ASN 72 HN ASN 72 -5.891 6.985 -11.454 542 HA ASN 72 HA ASN 72 -6.642 7.457 -8.610 543 1HB ASN 72 2HB ASN 72 -8.426 6.589 -9.923 544 2HB ASN 72 1HB ASN 72 -7.362 5.483 -10.782 545 1HD2 ASN 72 1HD2 ASN 72 -8.634 3.583 -10.160 546 2HD2 ASN 72 2HD2 ASN 72 -8.638 3.012 -8.563 547 H LEU 73 HN LEU 73 -3.828 6.945 -9.902 548 HA LEU 73 HA LEU 73 -3.047 4.285 -9.046 549 1HB LEU 73 2HB LEU 73 -1.542 6.857 -9.604 550 2HB LEU 73 1HB LEU 73 -0.758 5.303 -9.325 551 HG LEU 73 HG LEU 73 -2.682 5.993 -11.567 552 1HD1 LEU 73 1HD1 LEU 73 -0.141 6.596 -11.598 553 2HD1 LEU 73 2HD1 LEU 73 -0.831 5.780 -12.994 554 3HD1 LEU 73 3HD1 LEU 73 0.099 4.863 -11.813 555 1HD2 LEU 73 1HD2 LEU 73 -2.198 3.607 -12.283 556 2HD2 LEU 73 2HD2 LEU 73 -3.207 3.753 -10.843 557 3HD2 LEU 73 3HD2 LEU 73 -1.499 3.343 -10.685 558 H GLY 74 HN GLY 74 -2.900 7.503 -7.497 559 1HA GLY 74 2HA GLY 74 -1.292 6.911 -5.322 560 2HA GLY 74 1HA GLY 74 -2.607 8.077 -5.247 561 H ASP 75 HN ASP 75 -4.457 5.698 -5.966 562 HA ASP 75 HA ASP 75 -5.360 5.256 -3.282 563 1HB ASP 75 2HB ASP 75 -7.049 3.921 -4.392 564 2HB ASP 75 1HB ASP 75 -6.673 5.291 -5.438 565 H LEU 76 HN LEU 76 -3.045 3.572 -5.223 566 HA LEU 76 HA LEU 76 -3.357 0.905 -4.361 567 1HB LEU 76 2HB LEU 76 -0.927 2.532 -5.124 568 2HB LEU 76 1HB LEU 76 -0.909 0.778 -4.970 569 HG LEU 76 HG LEU 76 -2.869 2.240 -6.752 570 1HD1 LEU 76 1HD1 LEU 76 -1.373 1.533 -8.624 571 2HD1 LEU 76 2HD1 LEU 76 -0.174 1.025 -7.434 572 3HD1 LEU 76 3HD1 LEU 76 -0.620 2.726 -7.566 573 1HD2 LEU 76 1HD2 LEU 76 -3.688 0.175 -7.170 574 2HD2 LEU 76 2HD2 LEU 76 -2.712 -0.400 -5.818 575 3HD2 LEU 76 3HD2 LEU 76 -2.071 -0.469 -7.459 576 H LYS 77 HN LYS 77 -2.512 -0.278 -2.663 577 HA LYS 77 HA LYS 77 -0.932 1.124 -0.557 578 1HB LYS 77 2HB LYS 77 -3.538 -0.395 -0.238 579 2HB LYS 77 1HB LYS 77 -2.483 -0.006 1.121 580 1HG LYS 77 2HG LYS 77 -2.669 2.394 0.580 581 2HG LYS 77 1HG LYS 77 -3.727 2.007 -0.778 582 1HD LYS 77 2HD LYS 77 -5.350 0.983 0.778 583 2HD LYS 77 1HD LYS 77 -4.294 1.376 2.134 584 1HE LYS 77 2HE LYS 77 -4.769 3.647 2.025 585 2HE LYS 77 1HE LYS 77 -5.115 3.592 0.285 586 1HZ LYS 77 1HZ LYS 77 -6.765 2.184 2.307 587 2HZ LYS 77 2HZ LYS 77 -7.131 2.447 0.669 588 3HZ LYS 77 3HZ LYS 77 -7.125 3.749 1.761 589 H VAL 78 HN VAL 78 0.579 -0.250 0.411 590 HA VAL 78 HA VAL 78 1.298 -2.646 -0.974 591 HB VAL 78 HB VAL 78 2.063 -1.653 1.789 592 1HG1 VAL 78 1HG1 VAL 78 3.379 -3.482 1.852 593 2HG1 VAL 78 2HG1 VAL 78 4.211 -2.891 0.411 594 3HG1 VAL 78 3HG1 VAL 78 2.818 -3.973 0.252 595 1HG2 VAL 78 1HG2 VAL 78 2.432 -0.531 -0.808 596 2HG2 VAL 78 2HG2 VAL 78 3.995 -1.123 -0.244 597 3HG2 VAL 78 3HG2 VAL 78 3.088 0.038 0.727 598 H GLY 79 HN GLY 79 1.144 -4.823 -0.293 599 1HA GLY 79 2HA GLY 79 0.311 -6.629 1.044 600 2HA GLY 79 1HA GLY 79 -0.604 -5.462 2.002 601 H ASP 80 HN ASP 80 -1.277 -4.227 -0.804 602 HA ASP 80 HA ASP 80 -3.663 -5.953 -1.296 603 1HB ASP 80 2HB ASP 80 -3.611 -3.369 -0.921 604 2HB ASP 80 1HB ASP 80 -3.017 -3.300 -2.577 605 H TRP 81 HN TRP 81 -4.190 -6.226 -3.703 606 HA TRP 81 HA TRP 81 -1.652 -6.626 -5.252 607 1HB TRP 81 2HB TRP 81 -4.263 -8.151 -5.149 608 2HB TRP 81 1HB TRP 81 -3.082 -8.400 -6.429 609 HD1 TRP 81 HD1 TRP 81 -2.674 -8.019 -2.587 610 HE1 TRP 81 HE1 TRP 81 -1.204 -9.956 -1.752 611 HE3 TRP 81 HE3 TRP 81 -1.944 -10.530 -6.976 612 HZ2 TRP 81 HZ2 TRP 81 0.103 -12.277 -2.796 613 HZ3 TRP 81 HZ3 TRP 81 -0.584 -12.603 -7.028 614 HH2 TRP 81 HH2 TRP 81 0.440 -13.478 -4.942 615 H VAL 82 HN VAL 82 -1.813 -6.187 -7.562 616 HA VAL 82 HA VAL 82 -4.033 -4.331 -8.308 617 HB VAL 82 HB VAL 82 -2.063 -3.026 -8.152 618 1HG1 VAL 82 1HG1 VAL 82 -0.756 -5.565 -8.980 619 2HG1 VAL 82 2HG1 VAL 82 -0.265 -4.398 -7.751 620 3HG1 VAL 82 3HG1 VAL 82 0.038 -4.064 -9.457 621 1HG2 VAL 82 1HG2 VAL 82 -1.898 -2.220 -10.282 622 2HG2 VAL 82 2HG2 VAL 82 -3.152 -3.411 -10.634 623 3HG2 VAL 82 3HG2 VAL 82 -1.454 -3.798 -10.936 624 H ASN 83 HN ASN 83 -4.803 -4.508 -10.427 625 HA ASN 83 HA ASN 83 -4.434 -6.994 -11.934 626 1HB ASN 83 2HB ASN 83 -6.033 -4.516 -11.939 627 2HB ASN 83 1HB ASN 83 -5.609 -5.071 -13.552 628 1HD2 ASN 83 1HD2 ASN 83 -5.622 -7.913 -13.041 629 2HD2 ASN 83 2HD2 ASN 83 -7.220 -8.372 -12.701 630 H VAL 84 HN VAL 84 -2.292 -7.159 -12.700 631 HA VAL 84 HA VAL 84 -1.076 -4.697 -13.858 632 HB VAL 84 HB VAL 84 0.977 -6.439 -13.818 633 1HG1 VAL 84 1HG1 VAL 84 1.582 -5.453 -11.669 634 2HG1 VAL 84 2HG1 VAL 84 -0.101 -5.022 -11.361 635 3HG1 VAL 84 3HG1 VAL 84 0.785 -4.241 -12.673 636 1HG2 VAL 84 1HG2 VAL 84 -0.425 -8.312 -12.981 637 2HG2 VAL 84 2HG2 VAL 84 -0.824 -7.353 -11.555 638 3HG2 VAL 84 3HG2 VAL 84 0.838 -7.871 -11.831 639 H GLU 85 HN GLU 85 -0.470 -4.558 -15.950 640 HA GLU 85 HA GLU 85 -0.973 -6.936 -17.722 641 1HB GLU 85 2HB GLU 85 -1.707 -4.019 -17.937 642 2HB GLU 85 1HB GLU 85 -1.571 -5.013 -19.386 643 1HG GLU 85 2HG GLU 85 -3.216 -6.599 -18.457 644 2HG GLU 85 1HG GLU 85 -3.356 -5.603 -17.007 645 H ARG 86 HN ARG 86 0.530 -7.219 -19.419 646 HA ARG 86 HA ARG 86 3.099 -5.763 -19.142 647 1HB ARG 86 2HB ARG 86 2.175 -8.096 -20.857 648 2HB ARG 86 1HB ARG 86 3.847 -7.557 -20.690 649 1HG ARG 86 2HG ARG 86 3.753 -8.006 -18.266 650 2HG ARG 86 1HG ARG 86 2.082 -8.544 -18.428 651 1HD ARG 86 2HD ARG 86 3.530 -10.508 -18.403 652 2HD ARG 86 1HD ARG 86 2.899 -10.318 -20.047 653 HE ARG 86 HE ARG 86 5.671 -9.764 -19.176 654 1HH1 ARG 86 1HH1 ARG 86 3.213 -9.456 -21.616 655 2HH1 ARG 86 2HH1 ARG 86 4.351 -9.186 -22.886 656 1HH2 ARG 86 1HH2 ARG 86 7.131 -9.413 -20.842 657 2HH2 ARG 86 2HH2 ARG 86 6.554 -9.161 -22.455 658 H ALA 87 HN ALA 87 3.245 -3.865 -20.313 659 HA ALA 87 HA ALA 87 1.837 -3.728 -22.952 660 1HB ALA 87 1HB ALA 87 1.617 -2.158 -20.706 661 2HB ALA 87 2HB ALA 87 1.199 -1.634 -22.339 662 3HB ALA 87 3HB ALA 87 2.784 -1.250 -21.670 663 H ALA 88 HN ALA 88 2.978 -2.923 -24.735 664 HA ALA 88 HA ALA 88 5.947 -2.611 -24.389 665 1HB ALA 88 1HB ALA 88 5.058 -3.816 -26.895 666 2HB ALA 88 2HB ALA 88 4.496 -4.731 -25.495 667 3HB ALA 88 3HB ALA 88 6.219 -4.426 -25.716 668 H LYS 89 HN LYS 89 6.943 -1.174 -25.842 669 HA LYS 89 HA LYS 89 5.476 1.049 -26.882 670 1HB LYS 89 2HB LYS 89 8.209 -0.150 -27.412 671 2HB LYS 89 1HB LYS 89 7.703 1.411 -28.065 672 1HG LYS 89 2HG LYS 89 7.790 2.447 -26.027 673 2HG LYS 89 1HG LYS 89 7.247 1.010 -25.160 674 1HD LYS 89 2HD LYS 89 9.397 0.058 -25.133 675 2HD LYS 89 1HD LYS 89 9.975 1.099 -26.437 676 1HE LYS 89 2HE LYS 89 9.777 3.072 -24.921 677 2HE LYS 89 1HE LYS 89 9.297 1.980 -23.607 678 1HZ LYS 89 1HZ LYS 89 11.880 2.191 -24.993 679 2HZ LYS 89 2HZ LYS 89 11.397 0.678 -24.388 680 3HZ LYS 89 3HZ LYS 89 11.563 2.003 -23.338 681 H PHE 90 HN PHE 90 6.679 -1.938 -28.419 682 HA PHE 90 HA PHE 90 4.904 -1.342 -30.761 683 1HB PHE 90 2HB PHE 90 6.701 -2.169 -32.209 684 2HB PHE 90 1HB PHE 90 7.312 -0.857 -31.203 685 HD1 PHE 90 HD1 PHE 90 8.860 -1.290 -29.355 686 HD2 PHE 90 HD2 PHE 90 7.371 -4.489 -31.811 687 HE1 PHE 90 HE1 PHE 90 10.603 -2.802 -28.443 688 HE2 PHE 90 HE2 PHE 90 9.115 -6.001 -30.898 689 HZ PHE 90 HZ PHE 90 10.732 -5.157 -29.215 690 H SER 91 HN SER 91 4.234 -3.323 -31.917 691 HA SER 91 HA SER 91 4.217 -5.719 -30.109 692 1HB SER 91 2HB SER 91 1.984 -6.051 -31.461 693 2HB SER 91 1HB SER 91 2.037 -4.867 -30.157 694 HG SER 91 HG SER 91 2.366 -4.405 -32.941 695 H ASP 92 HN ASP 92 4.878 -7.642 -31.004 696 HA ASP 92 HA ASP 92 6.258 -7.659 -33.523 697 1HB ASP 92 2HB ASP 92 5.337 -9.788 -31.576 698 2HB ASP 92 1HB ASP 92 6.362 -10.142 -32.967 699 H GLU 93 HN GLU 93 3.069 -8.943 -32.533 700 HA GLU 93 HA GLU 93 2.360 -9.249 -35.415 701 1HB GLU 93 2HB GLU 93 2.392 -11.370 -33.252 702 2HB GLU 93 1HB GLU 93 1.539 -11.574 -34.782 703 1HG GLU 93 2HG GLU 93 3.643 -11.220 -36.014 704 2HG GLU 93 1HG GLU 93 4.504 -11.003 -34.489 705 H ILE 94 HN ILE 94 1.077 -7.284 -34.493 706 HA ILE 94 HA ILE 94 -1.129 -7.631 -32.696 707 HB ILE 94 HB ILE 94 -0.608 -5.845 -35.091 708 1HG1 ILE 94 2HG1 ILE 94 0.908 -5.573 -33.160 709 2HG1 ILE 94 1HG1 ILE 94 -0.142 -4.167 -33.337 710 1HG2 ILE 94 1HG2 ILE 94 -2.990 -6.137 -33.345 711 2HG2 ILE 94 2HG2 ILE 94 -2.867 -5.501 -34.985 712 3HG2 ILE 94 3HG2 ILE 94 -2.431 -4.486 -33.611 713 1HD1 ILE 94 1HD1 ILE 94 -0.180 -4.716 -31.011 714 2HD1 ILE 94 2HD1 ILE 94 -0.401 -6.433 -31.350 715 3HD1 ILE 94 3HD1 ILE 94 -1.710 -5.295 -31.667 716 H GLY 95 HN GLY 95 -0.811 -8.103 -36.212 717 1HA GLY 95 2HA GLY 95 -2.335 -9.065 -37.757 718 2HA GLY 95 1HA GLY 95 -2.314 -10.339 -36.539 719 H GLY 96 HN GLY 96 -3.924 -7.211 -37.206 720 1HA GLY 96 2HA GLY 96 -6.354 -8.333 -35.872 721 2HA GLY 96 1HA GLY 96 -6.018 -6.607 -36.021 722 H HIS 97 HN HIS 97 -7.784 -9.110 -37.345 723 HA HIS 97 HA HIS 97 -8.607 -7.430 -39.612 724 1HB HIS 97 2HB HIS 97 -8.017 -9.194 -41.275 725 2HB HIS 97 1HB HIS 97 -6.592 -8.545 -40.463 726 HD1 HIS 97 HD1 HIS 97 -5.699 -10.030 -38.372 727 HD2 HIS 97 HD2 HIS 97 -8.320 -11.942 -40.990 728 HE1 HIS 97 HE1 HIS 97 -5.461 -12.514 -37.937 729 1H MET 1 1HT MET 1 -1.005 -0.154 -30.351 730 2H MET 1 2HT MET 1 -1.658 -1.104 -29.103 731 3H MET 1 3HT MET 1 0.005 -1.170 -29.444 732 HA MET 1 HA MET 1 0.466 0.648 -28.223 733 1HB MET 1 2HB MET 1 -1.996 1.588 -29.677 734 2HB MET 1 1HB MET 1 -1.322 2.571 -28.377 735 1HG MET 1 2HG MET 1 0.791 2.761 -29.499 736 2HG MET 1 1HG MET 1 0.336 1.544 -30.692 737 1HE MET 1 1HE MET 1 -1.163 1.546 -32.199 738 2HE MET 1 2HE MET 1 -1.414 2.902 -33.296 739 3HE MET 1 3HE MET 1 -2.631 2.526 -32.077 740 H PHE 2 HN PHE 2 -0.782 2.029 -26.356 741 HA PHE 2 HA PHE 2 -3.155 0.877 -25.239 742 1HB PHE 2 2HB PHE 2 -2.099 -0.232 -23.298 743 2HB PHE 2 1HB PHE 2 -1.584 -0.985 -24.806 744 HD1 PHE 2 HD1 PHE 2 -0.581 1.659 -22.348 745 HD2 PHE 2 HD2 PHE 2 0.718 -1.204 -25.281 746 HE1 PHE 2 HE1 PHE 2 1.783 2.128 -21.760 747 HE2 PHE 2 HE2 PHE 2 3.083 -0.732 -24.691 748 HZ PHE 2 HZ PHE 2 3.614 0.935 -22.931 749 H THR 3 HN THR 3 -3.919 2.261 -23.596 750 HA THR 3 HA THR 3 -2.019 4.285 -22.521 751 HB THR 3 HB THR 3 -3.400 6.075 -23.279 752 HG1 THR 3 HG1 THR 3 -5.361 4.115 -23.884 753 1HG2 THR 3 1HG2 THR 3 -3.971 4.263 -25.585 754 2HG2 THR 3 2HG2 THR 3 -2.280 4.476 -25.126 755 3HG2 THR 3 3HG2 THR 3 -3.259 5.875 -25.574 756 H GLY 4 HN GLY 4 -5.242 2.784 -22.432 757 1HA GLY 4 2HA GLY 4 -6.811 2.634 -20.693 758 2HA GLY 4 1HA GLY 4 -5.407 2.232 -19.701 759 H ILE 5 HN ILE 5 -5.576 5.292 -21.355 760 HA ILE 5 HA ILE 5 -5.284 6.707 -18.804 761 HB ILE 5 HB ILE 5 -5.723 7.751 -21.623 762 1HG1 ILE 5 2HG1 ILE 5 -3.900 6.109 -21.534 763 2HG1 ILE 5 1HG1 ILE 5 -3.269 7.733 -21.790 764 1HG2 ILE 5 1HG2 ILE 5 -3.854 9.243 -20.053 765 2HG2 ILE 5 2HG2 ILE 5 -5.334 9.041 -19.109 766 3HG2 ILE 5 3HG2 ILE 5 -5.402 9.777 -20.712 767 1HD1 ILE 5 1HD1 ILE 5 -1.869 6.749 -20.127 768 2HD1 ILE 5 2HD1 ILE 5 -3.255 6.106 -19.243 769 3HD1 ILE 5 3HD1 ILE 5 -2.946 7.841 -19.254 770 H VAL 6 HN VAL 6 -6.960 7.396 -17.581 771 HA VAL 6 HA VAL 6 -9.660 6.868 -18.497 772 HB VAL 6 HB VAL 6 -8.271 7.667 -15.957 773 1HG1 VAL 6 1HG1 VAL 6 -10.596 7.489 -14.876 774 2HG1 VAL 6 2HG1 VAL 6 -11.246 7.749 -16.495 775 3HG1 VAL 6 3HG1 VAL 6 -10.247 8.988 -15.737 776 1HG2 VAL 6 1HG2 VAL 6 -8.383 5.438 -15.687 777 2HG2 VAL 6 2HG2 VAL 6 -9.242 5.290 -17.218 778 3HG2 VAL 6 3HG2 VAL 6 -10.143 5.538 -15.725 779 H GLN 7 HN GLN 7 -11.344 8.302 -18.777 780 HA GLN 7 HA GLN 7 -10.776 11.040 -19.539 781 1HB GLN 7 2HB GLN 7 -13.290 9.427 -19.023 782 2HB GLN 7 1HB GLN 7 -13.307 11.071 -19.665 783 1HG GLN 7 2HG GLN 7 -11.910 10.348 -21.566 784 2HG GLN 7 1HG GLN 7 -11.894 8.703 -20.928 785 1HE2 GLN 7 1HE2 GLN 7 -13.159 9.964 -23.470 786 2HE2 GLN 7 2HE2 GLN 7 -14.763 9.408 -23.432 787 H GLY 8 HN GLY 8 -12.033 9.463 -16.581 788 1HA GLY 8 2HA GLY 8 -11.614 11.952 -15.072 789 2HA GLY 8 1HA GLY 8 -13.311 11.543 -15.317 790 H THR 9 HN THR 9 -12.484 11.637 -12.740 791 HA THR 9 HA THR 9 -11.967 8.788 -11.974 792 HB THR 9 HB THR 9 -11.286 9.970 -9.783 793 HG1 THR 9 HG1 THR 9 -12.369 11.968 -10.818 794 1HG2 THR 9 1HG2 THR 9 -9.210 9.663 -10.589 795 2HG2 THR 9 2HG2 THR 9 -9.377 11.053 -11.660 796 3HG2 THR 9 3HG2 THR 9 -9.915 9.461 -12.193 797 H ALA 10 HN ALA 10 -13.007 8.178 -9.856 798 HA ALA 10 HA ALA 10 -15.726 9.415 -9.501 799 1HB ALA 10 1HB ALA 10 -16.524 7.506 -10.429 800 2HB ALA 10 2HB ALA 10 -15.877 6.639 -9.037 801 3HB ALA 10 3HB ALA 10 -14.904 6.805 -10.503 802 H LYS 11 HN LYS 11 -16.485 9.293 -7.327 803 HA LYS 11 HA LYS 11 -14.368 8.562 -5.339 804 1HB LYS 11 2HB LYS 11 -15.229 10.866 -5.318 805 2HB LYS 11 1HB LYS 11 -16.868 10.252 -5.136 806 1HG LYS 11 2HG LYS 11 -16.310 9.240 -2.994 807 2HG LYS 11 1HG LYS 11 -14.624 9.724 -3.176 808 1HD LYS 11 2HD LYS 11 -15.043 11.835 -2.492 809 2HD LYS 11 1HD LYS 11 -16.499 11.957 -3.484 810 1HE LYS 11 2HE LYS 11 -17.682 10.507 -1.764 811 2HE LYS 11 1HE LYS 11 -16.250 10.697 -0.732 812 1HZ LYS 11 1HZ LYS 11 -18.268 12.643 -1.446 813 2HZ LYS 11 2HZ LYS 11 -16.675 13.216 -1.577 814 3HZ LYS 11 3HZ LYS 11 -17.239 12.597 -0.100 815 H LEU 12 HN LEU 12 -14.671 6.499 -4.605 816 HA LEU 12 HA LEU 12 -17.128 5.019 -4.561 817 1HB LEU 12 2HB LEU 12 -14.563 4.437 -4.143 818 2HB LEU 12 1HB LEU 12 -14.975 4.772 -2.481 819 HG LEU 12 HG LEU 12 -16.668 3.050 -2.477 820 1HD1 LEU 12 1HD1 LEU 12 -17.785 2.798 -4.437 821 2HD1 LEU 12 2HD1 LEU 12 -16.475 1.708 -4.892 822 3HD1 LEU 12 3HD1 LEU 12 -16.424 3.402 -5.382 823 1HD2 LEU 12 1HD2 LEU 12 -14.997 1.576 -2.112 824 2HD2 LEU 12 2HD2 LEU 12 -13.903 2.545 -3.100 825 3HD2 LEU 12 3HD2 LEU 12 -14.893 1.294 -3.850 826 H VAL 13 HN VAL 13 -18.874 5.358 -3.286 827 HA VAL 13 HA VAL 13 -18.493 6.940 -0.772 828 HB VAL 13 HB VAL 13 -19.495 8.382 -2.338 829 1HG1 VAL 13 1HG1 VAL 13 -20.583 5.922 -3.447 830 2HG1 VAL 13 2HG1 VAL 13 -20.281 7.474 -4.235 831 3HG1 VAL 13 3HG1 VAL 13 -21.788 7.205 -3.353 832 1HG2 VAL 13 1HG2 VAL 13 -21.901 8.540 -1.589 833 2HG2 VAL 13 2HG2 VAL 13 -20.735 8.439 -0.270 834 3HG2 VAL 13 3HG2 VAL 13 -21.665 7.015 -0.735 835 H SER 14 HN SER 14 -20.218 4.371 -2.443 836 HA SER 14 HA SER 14 -21.065 3.325 0.235 837 1HB SER 14 2HB SER 14 -22.743 4.760 -1.278 838 2HB SER 14 1HB SER 14 -22.982 3.195 -2.044 839 HG SER 14 HG SER 14 -24.324 2.977 -0.413 840 H ILE 15 HN ILE 15 -21.122 1.074 0.352 841 HA ILE 15 HA ILE 15 -20.616 -0.444 -2.192 842 HB ILE 15 HB ILE 15 -20.107 -1.385 0.639 843 1HG1 ILE 15 2HG1 ILE 15 -18.306 0.032 -1.333 844 2HG1 ILE 15 1HG1 ILE 15 -18.708 0.506 0.316 845 1HG2 ILE 15 1HG2 ILE 15 -19.872 -3.339 -0.473 846 2HG2 ILE 15 2HG2 ILE 15 -18.407 -2.658 -1.181 847 3HG2 ILE 15 3HG2 ILE 15 -19.943 -2.535 -2.039 848 1HD1 ILE 15 1HD1 ILE 15 -16.916 -0.629 1.059 849 2HD1 ILE 15 2HD1 ILE 15 -16.568 -1.191 -0.576 850 3HD1 ILE 15 3HD1 ILE 15 -17.650 -2.120 0.464 851 H ASP 16 HN ASP 16 -22.256 -1.739 -2.815 852 HA ASP 16 HA ASP 16 -24.364 -2.449 -0.806 853 1HB ASP 16 2HB ASP 16 -24.328 -1.997 -3.783 854 2HB ASP 16 1HB ASP 16 -25.625 -2.932 -3.039 855 H GLU 17 HN GLU 17 -24.000 -4.530 -0.074 856 HA GLU 17 HA GLU 17 -22.693 -6.456 -1.945 857 1HB GLU 17 2HB GLU 17 -21.651 -6.039 0.250 858 2HB GLU 17 1HB GLU 17 -23.152 -6.502 1.055 859 1HG GLU 17 2HG GLU 17 -22.995 -8.756 0.064 860 2HG GLU 17 1HG GLU 17 -21.493 -8.299 -0.739 861 H LYS 18 HN LYS 18 -24.218 -7.581 -3.085 862 HA LYS 18 HA LYS 18 -26.653 -8.568 -1.650 863 1HB LYS 18 2HB LYS 18 -26.113 -8.837 -4.603 864 2HB LYS 18 1HB LYS 18 -27.660 -8.714 -3.776 865 1HG LYS 18 2HG LYS 18 -26.293 -6.330 -3.154 866 2HG LYS 18 1HG LYS 18 -26.013 -6.602 -4.875 867 1HD LYS 18 2HD LYS 18 -28.056 -5.395 -4.775 868 2HD LYS 18 1HD LYS 18 -28.536 -7.072 -5.033 869 1HE LYS 18 2HE LYS 18 -28.830 -7.319 -2.551 870 2HE LYS 18 1HE LYS 18 -28.521 -5.577 -2.389 871 1HZ LYS 18 1HZ LYS 18 -30.776 -6.950 -3.674 872 2HZ LYS 18 2HZ LYS 18 -30.268 -5.460 -4.313 873 3HZ LYS 18 3HZ LYS 18 -30.777 -5.564 -2.696 874 HA PRO 19 HA PRO 19 -24.573 -12.427 -1.129 875 1HB PRO 19 2HB PRO 19 -26.942 -13.964 -1.315 876 2HB PRO 19 1HB PRO 19 -26.217 -13.324 0.172 877 1HG PRO 19 2HG PRO 19 -28.460 -12.260 -1.448 878 2HG PRO 19 1HG PRO 19 -28.183 -12.174 0.299 879 1HD PRO 19 2HD PRO 19 -27.830 -10.041 -1.293 880 2HD PRO 19 1HD PRO 19 -26.789 -10.334 0.122 881 H ASN 20 HN ASN 20 -26.967 -11.911 -3.687 882 HA ASN 20 HA ASN 20 -26.043 -14.109 -5.374 883 1HB ASN 20 2HB ASN 20 -27.522 -11.584 -6.156 884 2HB ASN 20 1HB ASN 20 -27.605 -13.166 -6.932 885 1HD2 ASN 20 1HD2 ASN 20 -28.745 -11.265 -4.198 886 2HD2 ASN 20 2HD2 ASN 20 -29.859 -12.409 -3.628 887 H PHE 21 HN PHE 21 -25.442 -10.604 -5.173 888 HA PHE 21 HA PHE 21 -22.944 -10.944 -6.757 889 1HB PHE 21 2HB PHE 21 -25.160 -9.009 -7.499 890 2HB PHE 21 1HB PHE 21 -23.685 -9.332 -8.411 891 HD1 PHE 21 HD1 PHE 21 -27.074 -10.418 -7.692 892 HD2 PHE 21 HD2 PHE 21 -23.331 -11.613 -9.436 893 HE1 PHE 21 HE1 PHE 21 -28.220 -12.270 -8.881 894 HE2 PHE 21 HE2 PHE 21 -24.477 -13.467 -10.624 895 HZ PHE 21 HZ PHE 21 -26.922 -13.794 -10.347 896 H ARG 22 HN ARG 22 -21.462 -9.187 -6.396 897 HA ARG 22 HA ARG 22 -22.081 -7.475 -4.054 898 1HB ARG 22 2HB ARG 22 -19.926 -8.673 -4.240 899 2HB ARG 22 1HB ARG 22 -19.589 -7.821 -5.746 900 1HG ARG 22 2HG ARG 22 -19.504 -5.698 -4.622 901 2HG ARG 22 1HG ARG 22 -20.113 -6.405 -3.125 902 1HD ARG 22 2HD ARG 22 -18.068 -7.795 -2.951 903 2HD ARG 22 1HD ARG 22 -17.441 -7.039 -4.431 904 HE ARG 22 HE ARG 22 -18.039 -4.843 -2.962 905 1HH1 ARG 22 1HH1 ARG 22 -16.394 -7.785 -2.177 906 2HH1 ARG 22 2HH1 ARG 22 -15.456 -7.066 -0.912 907 1HH2 ARG 22 1HH2 ARG 22 -16.815 -3.907 -1.319 908 2HH2 ARG 22 2HH2 ARG 22 -15.690 -4.879 -0.429 909 H THR 23 HN THR 23 -22.218 -5.229 -4.204 910 HA THR 23 HA THR 23 -22.233 -4.056 -6.966 911 HB THR 23 HB THR 23 -24.142 -3.618 -4.647 912 HG1 THR 23 HG1 THR 23 -24.454 -4.892 -7.163 913 1HG2 THR 23 1HG2 THR 23 -25.405 -2.226 -6.214 914 2HG2 THR 23 2HG2 THR 23 -24.213 -2.533 -7.478 915 3HG2 THR 23 3HG2 THR 23 -23.764 -1.600 -6.051 916 H HIS 24 HN HIS 24 -21.264 -2.019 -7.111 917 HA HIS 24 HA HIS 24 -20.490 -0.701 -4.532 918 1HB HIS 24 2HB HIS 24 -18.900 -1.777 -6.721 919 2HB HIS 24 1HB HIS 24 -18.545 -0.077 -6.416 920 HD1 HIS 24 HD1 HIS 24 -17.164 -3.089 -5.468 921 HD2 HIS 24 HD2 HIS 24 -18.675 0.056 -3.186 922 HE1 HIS 24 HE1 HIS 24 -16.157 -3.326 -3.154 923 H VAL 25 HN VAL 25 -20.647 1.569 -4.541 924 HA VAL 25 HA VAL 25 -21.658 2.808 -7.080 925 HB VAL 25 HB VAL 25 -22.374 3.601 -4.262 926 1HG1 VAL 25 1HG1 VAL 25 -24.369 4.029 -6.310 927 2HG1 VAL 25 2HG1 VAL 25 -22.834 4.755 -6.787 928 3HG1 VAL 25 3HG1 VAL 25 -23.588 5.210 -5.259 929 1HG2 VAL 25 1HG2 VAL 25 -23.204 1.395 -4.346 930 2HG2 VAL 25 2HG2 VAL 25 -23.574 1.507 -6.067 931 3HG2 VAL 25 3HG2 VAL 25 -24.577 2.357 -4.892 932 H VAL 26 HN VAL 26 -20.570 4.588 -7.730 933 HA VAL 26 HA VAL 26 -18.581 5.813 -5.848 934 HB VAL 26 HB VAL 26 -17.333 6.354 -7.880 935 1HG1 VAL 26 1HG1 VAL 26 -17.775 3.739 -8.865 936 2HG1 VAL 26 2HG1 VAL 26 -18.059 3.666 -7.126 937 3HG1 VAL 26 3HG1 VAL 26 -16.517 4.258 -7.744 938 1HG2 VAL 26 1HG2 VAL 26 -19.172 6.901 -9.361 939 2HG2 VAL 26 2HG2 VAL 26 -19.774 5.244 -9.293 940 3HG2 VAL 26 3HG2 VAL 26 -18.245 5.594 -10.099 941 H GLU 27 HN GLU 27 -18.191 8.223 -6.483 942 HA GLU 27 HA GLU 27 -20.828 9.555 -6.957 943 1HB GLU 27 2HB GLU 27 -19.120 9.710 -4.871 944 2HB GLU 27 1HB GLU 27 -18.404 10.919 -5.928 945 1HG GLU 27 2HG GLU 27 -20.298 12.292 -5.875 946 2HG GLU 27 1HG GLU 27 -21.358 10.969 -5.393 947 H LEU 28 HN LEU 28 -20.981 10.249 -9.023 948 HA LEU 28 HA LEU 28 -18.675 10.396 -10.757 949 1HB LEU 28 2HB LEU 28 -21.243 9.761 -11.046 950 2HB LEU 28 1HB LEU 28 -21.387 11.469 -11.441 951 HG LEU 28 HG LEU 28 -19.822 11.257 -13.266 952 1HD1 LEU 28 1HD1 LEU 28 -19.069 8.830 -11.797 953 2HD1 LEU 28 2HD1 LEU 28 -18.119 9.799 -12.924 954 3HD1 LEU 28 3HD1 LEU 28 -19.221 8.564 -13.534 955 1HD2 LEU 28 1HD2 LEU 28 -22.159 10.488 -13.678 956 2HD2 LEU 28 2HD2 LEU 28 -21.667 8.845 -13.266 957 3HD2 LEU 28 3HD2 LEU 28 -20.992 9.636 -14.689 958 HA PRO 29 HA PRO 29 -17.786 14.662 -9.789 959 1HB PRO 29 2HB PRO 29 -15.892 14.990 -11.752 960 2HB PRO 29 1HB PRO 29 -15.568 14.252 -10.174 961 1HG PRO 29 2HG PRO 29 -16.031 12.957 -12.807 962 2HG PRO 29 1HG PRO 29 -14.938 12.493 -11.495 963 1HD PRO 29 2HD PRO 29 -17.295 11.239 -11.968 964 2HD PRO 29 1HD PRO 29 -16.574 11.370 -10.349 965 H ASP 30 HN ASP 30 -17.419 16.688 -11.362 966 HA ASP 30 HA ASP 30 -19.919 17.168 -12.593 967 1HB ASP 30 2HB ASP 30 -18.287 18.820 -11.649 968 2HB ASP 30 1HB ASP 30 -17.267 18.563 -13.065 969 H HIS 31 HN HIS 31 -16.783 16.320 -14.101 970 HA HIS 31 HA HIS 31 -17.990 16.549 -16.773 971 1HB HIS 31 2HB HIS 31 -15.688 16.160 -17.520 972 2HB HIS 31 1HB HIS 31 -15.715 17.363 -16.236 973 HD1 HIS 31 HD1 HIS 31 -16.259 14.548 -14.304 974 HD2 HIS 31 HD2 HIS 31 -12.921 15.818 -16.452 975 HE1 HIS 31 HE1 HIS 31 -14.258 13.374 -13.286 976 H MET 32 HN MET 32 -18.090 14.151 -14.505 977 HA MET 32 HA MET 32 -18.237 12.030 -16.627 978 1HB MET 32 2HB MET 32 -17.966 11.821 -13.610 979 2HB MET 32 1HB MET 32 -18.087 10.448 -14.709 980 1HG MET 32 2HG MET 32 -15.900 12.546 -14.749 981 2HG MET 32 1HG MET 32 -15.736 10.902 -14.132 982 1HE MET 32 1HE MET 32 -16.571 8.722 -17.121 983 2HE MET 32 2HE MET 32 -16.917 9.077 -15.430 984 3HE MET 32 3HE MET 32 -15.269 8.696 -15.924 985 H LEU 33 HN LEU 33 -19.990 14.036 -14.455 986 HA LEU 33 HA LEU 33 -22.351 12.396 -14.089 987 1HB LEU 33 2HB LEU 33 -21.622 15.314 -13.869 988 2HB LEU 33 1HB LEU 33 -23.296 14.798 -13.663 989 HG LEU 33 HG LEU 33 -21.071 13.443 -12.139 990 1HD1 LEU 33 1HD1 LEU 33 -22.528 15.388 -10.567 991 2HD1 LEU 33 2HD1 LEU 33 -21.720 16.182 -11.919 992 3HD1 LEU 33 3HD1 LEU 33 -20.786 15.215 -10.777 993 1HD2 LEU 33 1HD2 LEU 33 -23.939 13.952 -11.338 994 2HD2 LEU 33 2HD2 LEU 33 -22.834 12.723 -10.725 995 3HD2 LEU 33 3HD2 LEU 33 -23.498 12.579 -12.352 996 H ASP 34 HN ASP 34 -21.116 14.346 -16.688 997 HA ASP 34 HA ASP 34 -23.755 14.526 -18.026 998 1HB ASP 34 2HB ASP 34 -20.970 15.609 -18.448 999 2HB ASP 34 1HB ASP 34 -22.208 15.780 -19.695 1000 H GLY 35 HN GLY 35 -24.355 12.757 -19.229 1001 1HA GLY 35 2HA GLY 35 -23.941 11.707 -21.426 1002 2HA GLY 35 1HA GLY 35 -22.252 11.529 -20.959 1003 H LEU 36 HN LEU 36 -22.374 10.373 -18.483 1004 HA LEU 36 HA LEU 36 -22.682 7.663 -19.168 1005 1HB LEU 36 2HB LEU 36 -21.309 8.686 -17.324 1006 2HB LEU 36 1HB LEU 36 -22.795 8.866 -16.388 1007 HG LEU 36 HG LEU 36 -22.193 6.182 -17.559 1008 1HD1 LEU 36 1HD1 LEU 36 -20.710 7.489 -15.286 1009 2HD1 LEU 36 2HD1 LEU 36 -20.070 6.509 -16.606 1010 3HD1 LEU 36 3HD1 LEU 36 -20.974 5.745 -15.298 1011 1HD2 LEU 36 1HD2 LEU 36 -23.093 6.589 -14.761 1012 2HD2 LEU 36 2HD2 LEU 36 -23.695 5.472 -15.985 1013 3HD2 LEU 36 3HD2 LEU 36 -24.199 7.163 -16.010 1014 H GLU 37 HN GLU 37 -24.159 6.046 -18.303 1015 HA GLU 37 HA GLU 37 -26.753 6.901 -17.200 1016 1HB GLU 37 2HB GLU 37 -28.009 6.145 -19.143 1017 2HB GLU 37 1HB GLU 37 -26.794 7.296 -19.701 1018 1HG GLU 37 2HG GLU 37 -25.301 5.428 -20.315 1019 2HG GLU 37 1HG GLU 37 -26.517 4.277 -19.760 1020 H THR 38 HN THR 38 -28.088 4.905 -16.701 1021 HA THR 38 HA THR 38 -26.416 2.842 -15.584 1022 HB THR 38 HB THR 38 -29.016 1.892 -15.652 1023 HG1 THR 38 HG1 THR 38 -29.802 3.696 -16.658 1024 1HG2 THR 38 1HG2 THR 38 -29.062 3.392 -13.421 1025 2HG2 THR 38 2HG2 THR 38 -27.339 3.458 -13.781 1026 3HG2 THR 38 3HG2 THR 38 -28.129 1.901 -13.548 1027 H GLY 39 HN GLY 39 -26.266 0.615 -16.238 1028 1HA GLY 39 2HA GLY 39 -26.274 -1.179 -17.798 1029 2HA GLY 39 1HA GLY 39 -27.280 -0.213 -18.872 1030 H ALA 40 HN ALA 40 -24.960 1.883 -17.974 1031 HA ALA 40 HA ALA 40 -23.450 1.662 -20.460 1032 1HB ALA 40 1HB ALA 40 -23.344 3.332 -17.940 1033 2HB ALA 40 2HB ALA 40 -23.855 3.832 -19.554 1034 3HB ALA 40 3HB ALA 40 -22.149 3.524 -19.224 1035 H SER 41 HN SER 41 -21.064 1.328 -20.475 1036 HA SER 41 HA SER 41 -20.238 -0.647 -18.395 1037 1HB SER 41 2HB SER 41 -18.328 -0.780 -20.280 1038 2HB SER 41 1HB SER 41 -19.867 -1.620 -20.454 1039 HG SER 41 HG SER 41 -20.500 -0.187 -21.904 1040 H VAL 42 HN VAL 42 -19.380 0.554 -16.695 1041 HA VAL 42 HA VAL 42 -17.499 2.781 -17.240 1042 HB VAL 42 HB VAL 42 -18.983 1.619 -14.914 1043 1HG1 VAL 42 1HG1 VAL 42 -17.134 1.661 -13.599 1044 2HG1 VAL 42 2HG1 VAL 42 -17.369 3.409 -13.642 1045 3HG1 VAL 42 3HG1 VAL 42 -16.223 2.645 -14.745 1046 1HG2 VAL 42 1HG2 VAL 42 -18.519 4.400 -14.742 1047 2HG2 VAL 42 2HG2 VAL 42 -20.023 3.589 -15.190 1048 3HG2 VAL 42 3HG2 VAL 42 -18.858 4.047 -16.435 1049 H ALA 43 HN ALA 43 -15.312 2.468 -17.259 1050 HA ALA 43 HA ALA 43 -14.254 -0.167 -16.342 1051 1HB ALA 43 1HB ALA 43 -12.596 0.143 -17.899 1052 2HB ALA 43 2HB ALA 43 -12.506 1.877 -17.599 1053 3HB ALA 43 3HB ALA 43 -13.786 1.226 -18.623 1054 H HIS 44 HN HIS 44 -13.478 -0.153 -14.267 1055 HA HIS 44 HA HIS 44 -12.819 2.425 -12.964 1056 1HB HIS 44 2HB HIS 44 -13.316 -0.418 -12.163 1057 2HB HIS 44 1HB HIS 44 -12.355 0.588 -11.078 1058 HD1 HIS 44 HD1 HIS 44 -15.316 1.751 -13.183 1059 HD2 HIS 44 HD2 HIS 44 -14.273 1.224 -9.172 1060 HE1 HIS 44 HE1 HIS 44 -17.196 2.752 -11.810 1061 HE2 HIS 44 HE2 HIS 44 -16.563 2.436 -9.377 1062 H ASN 45 HN ASN 45 -10.886 3.133 -13.609 1063 HA ASN 45 HA ASN 45 -8.639 3.219 -14.231 1064 1HB ASN 45 2HB ASN 45 -8.685 2.010 -11.835 1065 2HB ASN 45 1HB ASN 45 -8.053 0.673 -12.801 1066 1HD2 ASN 45 1HD2 ASN 45 -7.262 3.755 -11.402 1067 2HD2 ASN 45 2HD2 ASN 45 -5.694 3.886 -12.032 1068 H GLY 46 HN GLY 46 -10.768 1.114 -15.461 1069 1HA GLY 46 2HA GLY 46 -10.113 0.623 -17.834 1070 2HA GLY 46 1HA GLY 46 -8.681 -0.158 -17.171 1071 H CYS 47 HN CYS 47 -10.989 -1.064 -14.999 1072 HA CYS 47 HA CYS 47 -11.468 -3.612 -16.465 1073 1HB CYS 47 2HB CYS 47 -10.622 -3.424 -14.048 1074 2HB CYS 47 1HB CYS 47 -12.242 -2.862 -13.632 1075 HG CYS 47 HG CYS 47 -12.071 -5.567 -15.135 1076 H CYS 48 HN CYS 48 -13.212 -3.360 -17.840 1077 HA CYS 48 HA CYS 48 -15.268 -1.415 -17.364 1078 1HB CYS 48 2HB CYS 48 -16.240 -2.493 -19.422 1079 2HB CYS 48 1HB CYS 48 -14.543 -2.043 -19.586 1080 HG CYS 48 HG CYS 48 -14.909 -4.929 -18.645 1081 H LEU 49 HN LEU 49 -17.137 -1.600 -16.279 1082 HA LEU 49 HA LEU 49 -18.453 -4.253 -16.014 1083 1HB LEU 49 2HB LEU 49 -18.870 -3.544 -13.548 1084 2HB LEU 49 1HB LEU 49 -17.266 -4.146 -13.963 1085 HG LEU 49 HG LEU 49 -17.580 -1.247 -14.369 1086 1HD1 LEU 49 1HD1 LEU 49 -18.805 -2.270 -12.093 1087 2HD1 LEU 49 2HD1 LEU 49 -18.244 -0.609 -12.300 1088 3HD1 LEU 49 3HD1 LEU 49 -17.203 -1.802 -11.521 1089 1HD2 LEU 49 1HD2 LEU 49 -15.581 -2.421 -12.500 1090 2HD2 LEU 49 2HD2 LEU 49 -15.345 -1.264 -13.809 1091 3HD2 LEU 49 3HD2 LEU 49 -15.499 -2.983 -14.170 1092 H THR 50 HN THR 50 -20.797 -3.964 -15.479 1093 HA THR 50 HA THR 50 -21.763 -1.567 -16.897 1094 HB THR 50 HB THR 50 -23.083 -4.129 -15.954 1095 HG1 THR 50 HG1 THR 50 -22.261 -4.861 -17.720 1096 1HG2 THR 50 1HG2 THR 50 -24.717 -3.223 -17.888 1097 2HG2 THR 50 2HG2 THR 50 -24.145 -1.673 -17.272 1098 3HG2 THR 50 3HG2 THR 50 -24.953 -2.808 -16.191 1099 H VAL 51 HN VAL 51 -23.324 -0.123 -16.101 1100 HA VAL 51 HA VAL 51 -23.340 0.335 -13.217 1101 HB VAL 51 HB VAL 51 -24.995 1.611 -15.417 1102 1HG1 VAL 51 1HG1 VAL 51 -24.474 3.597 -13.745 1103 2HG1 VAL 51 2HG1 VAL 51 -24.281 2.270 -12.597 1104 3HG1 VAL 51 3HG1 VAL 51 -25.808 2.484 -13.444 1105 1HG2 VAL 51 1HG2 VAL 51 -22.888 3.290 -15.013 1106 2HG2 VAL 51 2HG2 VAL 51 -22.969 2.100 -16.314 1107 3HG2 VAL 51 3HG2 VAL 51 -22.104 1.720 -14.824 1108 H THR 52 HN THR 52 -24.755 -0.671 -11.849 1109 HA THR 52 HA THR 52 -27.131 -2.088 -12.827 1110 HB THR 52 HB THR 52 -27.306 -2.757 -10.525 1111 HG1 THR 52 HG1 THR 52 -26.310 -1.624 -8.903 1112 1HG2 THR 52 1HG2 THR 52 -25.178 -3.372 -11.936 1113 2HG2 THR 52 2HG2 THR 52 -25.226 -3.767 -10.218 1114 3HG2 THR 52 3HG2 THR 52 -24.342 -2.344 -10.771 1115 H GLU 53 HN GLU 53 -26.480 0.851 -10.869 1116 HA GLU 53 HA GLU 53 -28.984 2.046 -11.865 1117 1HB GLU 53 2HB GLU 53 -29.703 0.627 -9.980 1118 2HB GLU 53 1HB GLU 53 -28.523 1.413 -8.932 1119 1HG GLU 53 2HG GLU 53 -29.647 3.580 -9.282 1120 2HG GLU 53 1HG GLU 53 -30.832 2.797 -10.328 1121 H ILE 54 HN ILE 54 -28.992 4.329 -11.553 1122 HA ILE 54 HA ILE 54 -26.425 5.507 -10.551 1123 HB ILE 54 HB ILE 54 -28.676 6.387 -12.368 1124 1HG1 ILE 54 2HG1 ILE 54 -26.054 7.086 -13.241 1125 2HG1 ILE 54 1HG1 ILE 54 -25.990 5.426 -12.652 1126 1HG2 ILE 54 1HG2 ILE 54 -27.021 8.549 -12.340 1127 2HG2 ILE 54 2HG2 ILE 54 -26.942 8.066 -10.646 1128 3HG2 ILE 54 3HG2 ILE 54 -28.499 8.444 -11.384 1129 1HD1 ILE 54 1HD1 ILE 54 -28.259 5.234 -14.060 1130 2HD1 ILE 54 2HD1 ILE 54 -26.680 5.017 -14.815 1131 3HD1 ILE 54 3HD1 ILE 54 -27.517 6.563 -14.954 1132 H ASN 55 HN ASN 55 -26.423 6.722 -8.718 1133 HA ASN 55 HA ASN 55 -29.044 7.101 -7.305 1134 1HB ASN 55 2HB ASN 55 -26.192 6.616 -6.461 1135 2HB ASN 55 1HB ASN 55 -27.331 7.352 -5.333 1136 1HD2 ASN 55 1HD2 ASN 55 -26.532 4.372 -7.051 1137 2HD2 ASN 55 2HD2 ASN 55 -27.662 3.392 -6.248 1138 H GLY 56 HN GLY 56 -29.091 9.052 -8.899 1139 1HA GLY 56 2HA GLY 56 -28.998 11.410 -9.092 1140 2HA GLY 56 1HA GLY 56 -28.167 11.469 -7.534 1141 H ASN 57 HN ASN 57 -26.099 12.189 -7.711 1142 HA ASN 57 HA ASN 57 -24.668 12.117 -10.259 1143 1HB ASN 57 2HB ASN 57 -23.435 13.716 -9.221 1144 2HB ASN 57 1HB ASN 57 -24.630 13.616 -7.945 1145 1HD2 ASN 57 1HD2 ASN 57 -21.683 11.937 -9.002 1146 2HD2 ASN 57 2HD2 ASN 57 -21.068 11.644 -7.447 1147 H HIS 58 HN HIS 58 -25.022 10.061 -7.491 1148 HA HIS 58 HA HIS 58 -22.523 8.622 -7.690 1149 1HB HIS 58 2HB HIS 58 -25.219 8.209 -6.426 1150 2HB HIS 58 1HB HIS 58 -24.030 6.910 -6.397 1151 HD1 HIS 58 HD1 HIS 58 -25.116 9.278 -4.157 1152 HD2 HIS 58 HD2 HIS 58 -21.305 8.425 -5.613 1153 HE1 HIS 58 HE1 HIS 58 -23.470 10.168 -2.452 1154 H VAL 59 HN VAL 59 -22.332 6.364 -8.408 1155 HA VAL 59 HA VAL 59 -24.548 5.388 -10.116 1156 HB VAL 59 HB VAL 59 -21.669 5.790 -10.953 1157 1HG1 VAL 59 1HG1 VAL 59 -21.881 3.903 -12.177 1158 2HG1 VAL 59 2HG1 VAL 59 -23.130 4.739 -13.100 1159 3HG1 VAL 59 3HG1 VAL 59 -23.576 3.734 -11.721 1160 1HG2 VAL 59 1HG2 VAL 59 -22.621 7.682 -11.762 1161 2HG2 VAL 59 2HG2 VAL 59 -24.249 7.093 -11.412 1162 3HG2 VAL 59 3HG2 VAL 59 -23.451 6.643 -12.922 1163 H SER 60 HN SER 60 -24.990 3.348 -9.467 1164 HA SER 60 HA SER 60 -22.994 1.829 -7.871 1165 1HB SER 60 2HB SER 60 -24.930 0.591 -7.178 1166 2HB SER 60 1HB SER 60 -25.445 2.272 -7.263 1167 HG SER 60 HG SER 60 -26.411 1.859 -9.215 1168 H PHE 61 HN PHE 61 -21.849 0.140 -8.837 1169 HA PHE 61 HA PHE 61 -22.951 -0.943 -11.423 1170 1HB PHE 61 2HB PHE 61 -20.368 -1.300 -11.818 1171 2HB PHE 61 1HB PHE 61 -21.077 0.292 -12.074 1172 HD1 PHE 61 HD1 PHE 61 -18.733 -1.666 -10.094 1173 HD2 PHE 61 HD2 PHE 61 -20.947 2.015 -10.253 1174 HE1 PHE 61 HE1 PHE 61 -17.241 -0.693 -8.365 1175 HE2 PHE 61 HE2 PHE 61 -19.463 2.985 -8.525 1176 HZ PHE 61 HZ PHE 61 -17.607 1.635 -7.579 1177 H ASP 62 HN ASP 62 -22.409 -3.203 -11.843 1178 HA ASP 62 HA ASP 62 -22.517 -4.731 -9.326 1179 1HB ASP 62 2HB ASP 62 -23.270 -6.524 -10.842 1180 2HB ASP 62 1HB ASP 62 -24.136 -5.028 -11.190 1181 H LEU 63 HN LEU 63 -21.225 -6.514 -8.867 1182 HA LEU 63 HA LEU 63 -18.713 -6.912 -10.404 1183 1HB LEU 63 2HB LEU 63 -19.094 -5.212 -8.127 1184 2HB LEU 63 1HB LEU 63 -18.100 -6.574 -7.633 1185 HG LEU 63 HG LEU 63 -17.228 -5.665 -10.219 1186 1HD1 LEU 63 1HD1 LEU 63 -18.269 -3.582 -8.579 1187 2HD1 LEU 63 2HD1 LEU 63 -17.355 -3.422 -10.081 1188 3HD1 LEU 63 3HD1 LEU 63 -16.506 -3.450 -8.535 1189 1HD2 LEU 63 1HD2 LEU 63 -16.040 -6.852 -8.175 1190 2HD2 LEU 63 2HD2 LEU 63 -15.724 -5.200 -7.651 1191 3HD2 LEU 63 3HD2 LEU 63 -15.108 -5.765 -9.206 1192 H MET 64 HN MET 64 -18.536 -9.142 -10.488 1193 HA MET 64 HA MET 64 -20.016 -10.833 -8.618 1194 1HB MET 64 2HB MET 64 -19.696 -11.389 -10.997 1195 2HB MET 64 1HB MET 64 -17.953 -11.458 -10.756 1196 1HG MET 64 2HG MET 64 -18.838 -13.722 -10.685 1197 2HG MET 64 1HG MET 64 -18.303 -13.271 -9.067 1198 1HE MET 64 1HE MET 64 -20.989 -14.017 -11.499 1199 2HE MET 64 2HE MET 64 -21.619 -12.401 -11.188 1200 3HE MET 64 3HE MET 64 -22.540 -13.812 -10.672 1201 H LYS 65 HN LYS 65 -19.187 -11.943 -6.864 1202 HA LYS 65 HA LYS 65 -17.031 -10.857 -5.439 1203 1HB LYS 65 2HB LYS 65 -18.922 -12.147 -4.516 1204 2HB LYS 65 1HB LYS 65 -18.302 -13.609 -5.281 1205 1HG LYS 65 2HG LYS 65 -16.233 -13.435 -3.947 1206 2HG LYS 65 1HG LYS 65 -16.854 -11.974 -3.179 1207 1HD LYS 65 2HD LYS 65 -18.772 -13.252 -2.292 1208 2HD LYS 65 1HD LYS 65 -18.147 -14.715 -3.053 1209 1HE LYS 65 2HE LYS 65 -15.976 -14.260 -1.708 1210 2HE LYS 65 1HE LYS 65 -16.981 -13.165 -0.737 1211 1HZ LYS 65 1HZ LYS 65 -17.355 -15.160 0.315 1212 2HZ LYS 65 2HZ LYS 65 -17.237 -16.072 -1.114 1213 3HZ LYS 65 3HZ LYS 65 -18.630 -15.152 -0.803 1214 H GLU 66 HN GLU 66 -17.096 -13.981 -7.227 1215 HA GLU 66 HA GLU 66 -14.306 -14.554 -6.779 1216 1HB GLU 66 2HB GLU 66 -16.018 -16.228 -7.401 1217 2HB GLU 66 1HB GLU 66 -16.227 -15.434 -8.964 1218 1HG GLU 66 2HG GLU 66 -13.938 -15.937 -9.591 1219 2HG GLU 66 1HG GLU 66 -13.595 -16.575 -7.984 1220 H THR 67 HN THR 67 -16.059 -12.916 -9.410 1221 HA THR 67 HA THR 67 -13.805 -12.413 -11.124 1222 HB THR 67 HB THR 67 -16.275 -10.746 -10.551 1223 HG1 THR 67 HG1 THR 67 -15.949 -12.562 -12.673 1224 1HG2 THR 67 1HG2 THR 67 -14.074 -10.117 -12.098 1225 2HG2 THR 67 2HG2 THR 67 -15.686 -9.431 -12.289 1226 3HG2 THR 67 3HG2 THR 67 -15.193 -10.811 -13.270 1227 H LEU 68 HN LEU 68 -15.159 -10.712 -8.311 1228 HA LEU 68 HA LEU 68 -13.533 -8.387 -8.362 1229 1HB LEU 68 2HB LEU 68 -15.566 -8.767 -7.010 1230 2HB LEU 68 1HB LEU 68 -14.723 -10.008 -6.087 1231 HG LEU 68 HG LEU 68 -12.984 -7.913 -5.852 1232 1HD1 LEU 68 1HD1 LEU 68 -14.182 -6.136 -6.719 1233 2HD1 LEU 68 2HD1 LEU 68 -14.784 -6.101 -5.060 1234 3HD1 LEU 68 3HD1 LEU 68 -15.741 -6.864 -6.329 1235 1HD2 LEU 68 1HD2 LEU 68 -14.464 -7.569 -3.636 1236 2HD2 LEU 68 2HD2 LEU 68 -13.466 -9.003 -3.883 1237 3HD2 LEU 68 3HD2 LEU 68 -15.195 -9.064 -4.224 1238 H ARG 69 HN ARG 69 -13.049 -11.548 -6.776 1239 HA ARG 69 HA ARG 69 -10.452 -10.906 -5.653 1240 1HB ARG 69 2HB ARG 69 -11.960 -12.681 -4.830 1241 2HB ARG 69 1HB ARG 69 -11.791 -13.538 -6.361 1242 1HG ARG 69 2HG ARG 69 -10.289 -14.497 -4.658 1243 2HG ARG 69 1HG ARG 69 -9.361 -13.762 -5.966 1244 1HD ARG 69 2HD ARG 69 -9.032 -11.723 -4.614 1245 2HD ARG 69 1HD ARG 69 -9.983 -12.441 -3.300 1246 HE ARG 69 HE ARG 69 -8.167 -13.891 -2.820 1247 1HH1 ARG 69 1HH1 ARG 69 -7.787 -12.295 -5.864 1248 2HH1 ARG 69 2HH1 ARG 69 -6.146 -12.808 -6.068 1249 1HH2 ARG 69 1HH2 ARG 69 -6.036 -14.563 -3.083 1250 2HH2 ARG 69 2HH2 ARG 69 -5.157 -14.091 -4.499 1251 H ILE 70 HN ILE 70 -11.550 -12.452 -8.658 1252 HA ILE 70 HA ILE 70 -8.979 -13.304 -9.583 1253 HB ILE 70 HB ILE 70 -11.637 -13.574 -10.210 1254 1HG1 ILE 70 2HG1 ILE 70 -9.316 -14.288 -12.012 1255 2HG1 ILE 70 1HG1 ILE 70 -9.791 -15.195 -10.575 1256 1HG2 ILE 70 1HG2 ILE 70 -11.907 -11.648 -11.553 1257 2HG2 ILE 70 2HG2 ILE 70 -11.703 -12.970 -12.696 1258 3HG2 ILE 70 3HG2 ILE 70 -10.357 -11.886 -12.356 1259 1HD1 ILE 70 1HD1 ILE 70 -12.170 -14.896 -12.005 1260 2HD1 ILE 70 2HD1 ILE 70 -11.190 -16.360 -11.912 1261 3HD1 ILE 70 3HD1 ILE 70 -10.962 -15.229 -13.246 1262 H THR 71 HN THR 71 -10.893 -10.374 -10.072 1263 HA THR 71 HA THR 71 -8.758 -9.092 -11.665 1264 HB THR 71 HB THR 71 -10.415 -7.302 -11.855 1265 HG1 THR 71 HG1 THR 71 -12.480 -7.811 -10.703 1266 1HG2 THR 71 1HG2 THR 71 -12.004 -9.854 -11.975 1267 2HG2 THR 71 2HG2 THR 71 -10.681 -9.558 -13.099 1268 3HG2 THR 71 3HG2 THR 71 -12.067 -8.468 -13.060 1269 H ASN 72 HN ASN 72 -8.551 -6.611 -10.794 1270 HA ASN 72 HA ASN 72 -7.703 -6.818 -7.944 1271 1HB ASN 72 2HB ASN 72 -5.970 -6.068 -9.386 1272 2HB ASN 72 1HB ASN 72 -7.065 -5.052 -10.311 1273 1HD2 ASN 72 1HD2 ASN 72 -5.814 -3.082 -9.916 1274 2HD2 ASN 72 2HD2 ASN 72 -5.745 -2.376 -8.370 1275 H LEU 73 HN LEU 73 -10.561 -6.439 -9.185 1276 HA LEU 73 HA LEU 73 -11.335 -3.716 -8.549 1277 1HB LEU 73 2HB LEU 73 -12.834 -6.337 -8.824 1278 2HB LEU 73 1HB LEU 73 -13.627 -4.771 -8.658 1279 HG LEU 73 HG LEU 73 -11.767 -5.645 -10.889 1280 1HD1 LEU 73 1HD1 LEU 73 -13.789 -5.101 -12.273 1281 2HD1 LEU 73 2HD1 LEU 73 -14.691 -4.846 -10.780 1282 3HD1 LEU 73 3HD1 LEU 73 -14.046 -6.444 -11.160 1283 1HD2 LEU 73 1HD2 LEU 73 -11.197 -3.377 -10.512 1284 2HD2 LEU 73 2HD2 LEU 73 -12.858 -2.937 -10.115 1285 3HD2 LEU 73 3HD2 LEU 73 -12.419 -3.307 -11.782 1286 H GLY 74 HN GLY 74 -11.407 -6.781 -6.710 1287 1HA GLY 74 2HA GLY 74 -12.947 -6.001 -4.546 1288 2HA GLY 74 1HA GLY 74 -11.623 -7.149 -4.408 1289 H ASP 75 HN ASP 75 -9.816 -4.836 -5.402 1290 HA ASP 75 HA ASP 75 -8.829 -4.149 -2.799 1291 1HB ASP 75 2HB ASP 75 -7.187 -2.911 -4.082 1292 2HB ASP 75 1HB ASP 75 -7.586 -4.373 -4.985 1293 H LEU 76 HN LEU 76 -11.219 -2.659 -4.808 1294 HA LEU 76 HA LEU 76 -10.901 0.076 -4.202 1295 1HB LEU 76 2HB LEU 76 -13.340 -1.624 -4.733 1296 2HB LEU 76 1HB LEU 76 -13.368 0.136 -4.740 1297 HG LEU 76 HG LEU 76 -11.454 -1.472 -6.446 1298 1HD1 LEU 76 1HD1 LEU 76 -14.239 -0.449 -7.040 1299 2HD1 LEU 76 2HD1 LEU 76 -13.615 -2.085 -7.253 1300 3HD1 LEU 76 3HD1 LEU 76 -13.067 -0.787 -8.313 1301 1HD2 LEU 76 1HD2 LEU 76 -12.063 1.010 -7.592 1302 2HD2 LEU 76 2HD2 LEU 76 -10.581 0.593 -6.732 1303 3HD2 LEU 76 3HD2 LEU 76 -11.920 1.346 -5.866 1304 H LYS 77 HN LYS 77 -11.700 1.406 -2.593 1305 HA LYS 77 HA LYS 77 -13.200 0.193 -0.316 1306 1HB LYS 77 2HB LYS 77 -10.596 1.748 -0.223 1307 2HB LYS 77 1HB LYS 77 -11.603 1.479 1.200 1308 1HG LYS 77 2HG LYS 77 -11.416 -0.959 0.873 1309 2HG LYS 77 1HG LYS 77 -10.406 -0.693 -0.548 1310 1HD LYS 77 2HD LYS 77 -8.741 0.476 0.853 1311 2HD LYS 77 1HD LYS 77 -9.750 0.204 2.275 1312 1HE LYS 77 2HE LYS 77 -9.261 -2.066 2.356 1313 2HE LYS 77 1HE LYS 77 -8.972 -2.168 0.608 1314 1HZ LYS 77 1HZ LYS 77 -7.095 -0.479 1.154 1315 2HZ LYS 77 2HZ LYS 77 -6.832 -2.138 1.410 1316 3HZ LYS 77 3HZ LYS 77 -7.210 -1.122 2.718 1317 H VAL 78 HN VAL 78 -14.689 1.644 0.573 1318 HA VAL 78 HA VAL 78 -15.471 3.898 -1.001 1319 HB VAL 78 HB VAL 78 -16.137 3.158 1.866 1320 1HG1 VAL 78 1HG1 VAL 78 -17.464 4.979 1.806 1321 2HG1 VAL 78 2HG1 VAL 78 -18.340 4.254 0.455 1322 3HG1 VAL 78 3HG1 VAL 78 -16.962 5.324 0.149 1323 1HG2 VAL 78 1HG2 VAL 78 -16.837 1.269 0.790 1324 2HG2 VAL 78 2HG2 VAL 78 -16.864 2.058 -0.788 1325 3HG2 VAL 78 3HG2 VAL 78 -18.201 2.293 0.339 1326 H GLY 79 HN GLY 79 -15.316 6.129 -0.532 1327 1HA GLY 79 2HA GLY 79 -14.450 8.054 0.612 1328 2HA GLY 79 1HA GLY 79 -13.498 6.984 1.644 1329 H ASP 80 HN ASP 80 -12.908 5.511 -1.058 1330 HA ASP 80 HA ASP 80 -10.548 7.187 -1.786 1331 1HB ASP 80 2HB ASP 80 -10.569 4.647 -1.174 1332 2HB ASP 80 1HB ASP 80 -11.215 4.425 -2.797 1333 H TRP 81 HN TRP 81 -10.102 7.244 -4.221 1334 HA TRP 81 HA TRP 81 -12.691 7.488 -5.716 1335 1HB TRP 81 2HB TRP 81 -10.090 9.028 -5.837 1336 2HB TRP 81 1HB TRP 81 -11.314 9.154 -7.095 1337 HD1 TRP 81 HD1 TRP 81 -11.595 9.122 -3.224 1338 HE1 TRP 81 HE1 TRP 81 -13.051 11.120 -2.520 1339 HE3 TRP 81 HE3 TRP 81 -12.485 11.220 -7.796 1340 HZ2 TRP 81 HZ2 TRP 81 -14.409 13.330 -3.726 1341 HZ3 TRP 81 HZ3 TRP 81 -13.863 13.274 -7.991 1342 HH2 TRP 81 HH2 TRP 81 -14.824 14.329 -5.962 1343 H VAL 82 HN VAL 82 -12.614 6.853 -7.978 1344 HA VAL 82 HA VAL 82 -10.393 4.941 -8.630 1345 HB VAL 82 HB VAL 82 -12.331 3.641 -8.296 1346 1HG1 VAL 82 1HG1 VAL 82 -14.141 5.028 -7.954 1347 2HG1 VAL 82 2HG1 VAL 82 -14.495 4.543 -9.614 1348 3HG1 VAL 82 3HG1 VAL 82 -13.700 6.086 -9.297 1349 1HG2 VAL 82 1HG2 VAL 82 -12.742 2.694 -10.367 1350 2HG2 VAL 82 2HG2 VAL 82 -11.306 3.648 -10.751 1351 3HG2 VAL 82 3HG2 VAL 82 -12.914 4.265 -11.157 1352 H ASN 83 HN ASN 83 -9.696 4.925 -10.779 1353 HA ASN 83 HA ASN 83 -10.128 7.261 -12.492 1354 1HB ASN 83 2HB ASN 83 -8.513 4.807 -12.308 1355 2HB ASN 83 1HB ASN 83 -8.992 5.188 -13.951 1356 1HD2 ASN 83 1HD2 ASN 83 -8.986 8.081 -13.715 1357 2HD2 ASN 83 2HD2 ASN 83 -7.380 8.575 -13.477 1358 H VAL 84 HN VAL 84 -12.297 7.348 -13.193 1359 HA VAL 84 HA VAL 84 -13.532 4.783 -14.087 1360 HB VAL 84 HB VAL 84 -15.596 6.511 -14.138 1361 1HG1 VAL 84 1HG1 VAL 84 -16.127 5.715 -11.897 1362 2HG1 VAL 84 2HG1 VAL 84 -14.429 5.336 -11.595 1363 3HG1 VAL 84 3HG1 VAL 84 -15.338 4.424 -12.804 1364 1HG2 VAL 84 1HG2 VAL 84 -15.404 8.119 -12.298 1365 2HG2 VAL 84 2HG2 VAL 84 -14.178 8.457 -13.521 1366 3HG2 VAL 84 3HG2 VAL 84 -13.731 7.634 -12.027 1367 H GLU 85 HN GLU 85 -14.218 4.453 -16.141 1368 HA GLU 85 HA GLU 85 -13.776 6.660 -18.133 1369 1HB GLU 85 2HB GLU 85 -13.027 3.738 -18.107 1370 2HB GLU 85 1HB GLU 85 -13.217 4.596 -19.636 1371 1HG GLU 85 2HG GLU 85 -11.555 6.269 -18.908 1372 2HG GLU 85 1HG GLU 85 -11.360 5.408 -17.379 1373 H ARG 86 HN ARG 86 -15.335 6.781 -19.797 1374 HA ARG 86 HA ARG 86 -17.883 5.343 -19.307 1375 1HB ARG 86 2HB ARG 86 -17.032 7.514 -21.256 1376 2HB ARG 86 1HB ARG 86 -18.693 6.985 -20.986 1377 1HG ARG 86 2HG ARG 86 -18.523 7.652 -18.616 1378 2HG ARG 86 1HG ARG 86 -16.864 8.181 -18.886 1379 1HD ARG 86 2HD ARG 86 -18.326 10.133 -18.988 1380 2HD ARG 86 1HD ARG 86 -17.747 9.798 -20.627 1381 HE ARG 86 HE ARG 86 -20.484 9.312 -19.620 1382 1HH1 ARG 86 1HH1 ARG 86 -18.104 8.796 -22.100 1383 2HH1 ARG 86 2HH1 ARG 86 -19.281 8.406 -23.303 1384 1HH2 ARG 86 1HH2 ARG 86 -21.995 8.803 -21.197 1385 2HH2 ARG 86 2HH2 ARG 86 -21.468 8.409 -22.800 1386 H ALA 87 HN ALA 87 -18.059 3.350 -20.294 1387 HA ALA 87 HA ALA 87 -16.727 2.976 -22.955 1388 1HB ALA 87 1HB ALA 87 -17.626 0.649 -21.358 1389 2HB ALA 87 2HB ALA 87 -16.360 1.630 -20.618 1390 3HB ALA 87 3HB ALA 87 -16.103 0.909 -22.208 1391 H ALA 88 HN ALA 88 -17.921 2.005 -24.621 1392 HA ALA 88 HA ALA 88 -20.875 1.716 -24.151 1393 1HB ALA 88 1HB ALA 88 -20.948 3.650 -25.342 1394 2HB ALA 88 2HB ALA 88 -20.511 2.660 -26.737 1395 3HB ALA 88 3HB ALA 88 -19.255 3.497 -25.821 1396 H LYS 89 HN LYS 89 -21.905 0.144 -25.433 1397 HA LYS 89 HA LYS 89 -20.455 -2.156 -26.315 1398 1HB LYS 89 2HB LYS 89 -23.212 -1.024 -26.862 1399 2HB LYS 89 1HB LYS 89 -22.716 -2.634 -27.387 1400 1HG LYS 89 2HG LYS 89 -22.730 -3.482 -25.260 1401 2HG LYS 89 1HG LYS 89 -22.170 -1.970 -24.546 1402 1HD LYS 89 2HD LYS 89 -24.325 -1.029 -24.534 1403 2HD LYS 89 1HD LYS 89 -24.937 -2.187 -25.719 1404 1HE LYS 89 2HE LYS 89 -24.675 -4.014 -24.038 1405 2HE LYS 89 1HE LYS 89 -24.160 -2.804 -22.845 1406 1HZ LYS 89 1HZ LYS 89 -26.214 -1.631 -23.127 1407 2HZ LYS 89 2HZ LYS 89 -26.581 -3.254 -22.787 1408 3HZ LYS 89 3HZ LYS 89 -26.702 -2.668 -24.377 1409 H PHE 90 HN PHE 90 -21.729 0.673 -28.076 1410 HA PHE 90 HA PHE 90 -20.027 -0.125 -30.411 1411 1HB PHE 90 2HB PHE 90 -21.877 0.558 -31.869 1412 2HB PHE 90 1HB PHE 90 -22.445 -0.660 -30.728 1413 HD1 PHE 90 HD1 PHE 90 -23.934 -0.068 -28.877 1414 HD2 PHE 90 HD2 PHE 90 -22.551 2.902 -31.661 1415 HE1 PHE 90 HE1 PHE 90 -25.660 1.511 -28.049 1416 HE2 PHE 90 HE2 PHE 90 -24.277 4.482 -30.832 1417 HZ PHE 90 HZ PHE 90 -25.832 3.787 -29.027 1418 H SER 91 HN SER 91 -19.411 1.746 -31.764 1419 HA SER 91 HA SER 91 -19.354 4.296 -30.181 1420 1HB SER 91 2HB SER 91 -17.169 4.513 -31.633 1421 2HB SER 91 1HB SER 91 -17.169 3.455 -30.225 1422 HG SER 91 HG SER 91 -16.962 1.802 -31.503 1423 H ASP 92 HN ASP 92 -20.058 6.126 -31.225 1424 HA ASP 92 HA ASP 92 -21.519 5.907 -33.689 1425 1HB ASP 92 2HB ASP 92 -20.552 8.210 -31.976 1426 2HB ASP 92 1HB ASP 92 -21.625 8.430 -33.358 1427 H GLU 93 HN GLU 93 -18.315 7.291 -32.921 1428 HA GLU 93 HA GLU 93 -17.739 7.400 -35.852 1429 1HB GLU 93 2HB GLU 93 -17.563 9.603 -33.779 1430 2HB GLU 93 1HB GLU 93 -16.819 9.718 -35.373 1431 1HG GLU 93 2HG GLU 93 -19.761 9.153 -34.926 1432 2HG GLU 93 1HG GLU 93 -19.107 10.760 -35.245 1433 H ILE 94 HN ILE 94 -16.504 5.412 -34.854 1434 HA ILE 94 HA ILE 94 -14.159 5.770 -33.241 1435 HB ILE 94 HB ILE 94 -14.914 3.855 -35.471 1436 1HG1 ILE 94 2HG1 ILE 94 -16.259 3.891 -33.323 1437 2HG1 ILE 94 1HG1 ILE 94 -15.486 2.347 -33.681 1438 1HG2 ILE 94 1HG2 ILE 94 -12.758 3.192 -35.460 1439 2HG2 ILE 94 2HG2 ILE 94 -13.022 2.635 -33.808 1440 3HG2 ILE 94 3HG2 ILE 94 -12.377 4.250 -34.102 1441 1HD1 ILE 94 1HD1 ILE 94 -14.115 4.412 -31.962 1442 2HD1 ILE 94 2HD1 ILE 94 -13.800 2.680 -32.061 1443 3HD1 ILE 94 3HD1 ILE 94 -15.264 3.266 -31.272 1444 H GLY 95 HN GLY 95 -14.730 6.040 -36.743 1445 1HA GLY 95 2HA GLY 95 -13.339 6.867 -38.457 1446 2HA GLY 95 1HA GLY 95 -12.958 8.103 -37.259 1447 H GLY 96 HN GLY 96 -12.091 4.656 -37.825 1448 1HA GLY 96 2HA GLY 96 -9.517 4.837 -36.595 1449 2HA GLY 96 1HA GLY 96 -9.984 3.625 -37.790 1450 H HIS 97 HN HIS 97 -10.627 5.390 -39.921 1451 HA HIS 97 HA HIS 97 -8.010 6.752 -40.454 1452 1HB HIS 97 2HB HIS 97 -8.093 4.572 -41.571 1453 2HB HIS 97 1HB HIS 97 -9.663 4.967 -42.270 1454 HD1 HIS 97 HD1 HIS 97 -6.619 7.233 -42.070 1455 HD2 HIS 97 HD2 HIS 97 -8.963 5.329 -44.943 1456 HE1 HIS 97 HE1 HIS 97 -5.814 8.071 -44.320 1457 HN3 RBF 98 HN3 RBF 98 4.664 6.780 -13.239 1458 HC6 RBF 98 HC6 RBF 98 3.968 5.609 -20.052 1459 1HC7 RBF 98 1HC7 RBF 98 1.534 5.294 -22.710 1460 2HC7 RBF 98 2HC7 RBF 98 3.237 5.080 -22.246 1461 3HC7 RBF 98 3HC7 RBF 98 2.675 6.645 -22.873 1462 1HC8 RBF 98 1HC8 RBF 98 -0.677 7.937 -21.597 1463 2HC8 RBF 98 2HC8 RBF 98 -0.894 6.175 -21.689 1464 3HC8 RBF 98 3HC8 RBF 98 0.352 6.970 -22.674 1465 HC9 RBF 98 HC9 RBF 98 -0.451 7.660 -19.098 1466 1HC1 RBF 98 1HC1 RBF 98 -0.237 8.171 -15.556 1467 2HC1 RBF 98 2HC1 RBF 98 -0.944 7.395 -16.986 1468 HC2* RBF 98 HC2* RBF 98 -0.713 9.300 -18.311 1469 HO2* RBF 98 HO2* RBF 98 1.559 9.578 -17.960 1470 HC3* RBF 98 HC3* RBF 98 -0.888 10.381 -15.465 1471 HO3* RBF 98 HO3* RBF 98 -2.673 9.087 -17.225 1472 HC4* RBF 98 HC4* RBF 98 -2.384 12.080 -16.853 1473 HO4* RBF 98 HO4* RBF 98 -0.869 12.326 -18.899 1474 1HC5 RBF 98 1HC5 RBF 98 -0.348 12.619 -15.509 1475 2HC5 RBF 98 2HC5 RBF 98 0.659 12.189 -16.905 1476 HO5* RBF 98 HO5* RBF 98 0.076 14.010 -17.912 1477 HN3 RBF 99 HN3 RBF 99 -19.159 -6.623 -12.242 1478 HC6 RBF 99 HC6 RBF 99 -18.692 -6.068 -19.152 1479 1HC7 RBF 99 1HC7 RBF 99 -16.350 -5.985 -21.908 1480 2HC7 RBF 99 2HC7 RBF 99 -18.037 -5.739 -21.408 1481 3HC7 RBF 99 3HC7 RBF 99 -17.484 -7.352 -21.909 1482 1HC8 RBF 99 1HC8 RBF 99 -14.079 -8.505 -20.632 1483 2HC8 RBF 99 2HC8 RBF 99 -13.880 -6.759 -20.890 1484 3HC8 RBF 99 3HC8 RBF 99 -15.151 -7.646 -21.757 1485 HC9 RBF 99 HC9 RBF 99 -14.228 -8.004 -18.162 1486 1HC1 RBF 99 1HC1 RBF 99 -14.323 -8.191 -14.584 1487 2HC1 RBF 99 2HC1 RBF 99 -13.669 -7.546 -16.099 1488 HC2* RBF 99 HC2* RBF 99 -13.934 -9.565 -17.234 1489 HO2* RBF 99 HO2* RBF 99 -16.185 -9.820 -16.788 1490 HC3* RBF 99 HC3* RBF 99 -13.653 -10.381 -14.314 1491 HO3* RBF 99 HO3* RBF 99 -11.937 -9.244 -16.242 1492 HC4* RBF 99 HC4* RBF 99 -12.189 -12.192 -15.590 1493 HO4* RBF 99 HO4* RBF 99 -13.768 -12.630 -17.555 1494 1HC5 RBF 99 1HC5 RBF 99 -14.177 -12.616 -14.137 1495 2HC5 RBF 99 2HC5 RBF 99 -15.233 -12.319 -15.533 1496 HO5* RBF 99 HO5* RBF 99 -14.668 -14.222 -16.389 Start of MODEL 14 1 1H MET 1 1HT MET 1 -14.096 -0.711 -29.679 2 2H MET 1 2HT MET 1 -15.500 -0.668 -28.723 3 3H MET 1 3HT MET 1 -15.417 -1.700 -30.071 4 HA MET 1 HA MET 1 -15.118 -2.972 -28.033 5 1HB MET 1 2HB MET 1 -13.137 -2.596 -30.201 6 2HB MET 1 1HB MET 1 -12.559 -3.521 -28.814 7 1HG MET 1 2HG MET 1 -15.096 -4.095 -30.375 8 2HG MET 1 1HG MET 1 -13.590 -5.005 -30.496 9 1HE MET 1 1HE MET 1 -12.309 -5.369 -28.403 10 2HE MET 1 2HE MET 1 -12.937 -6.544 -27.250 11 3HE MET 1 3HE MET 1 -12.983 -4.827 -26.860 12 H PHE 2 HN PHE 2 -14.199 -3.097 -25.995 13 HA PHE 2 HA PHE 2 -11.688 -1.847 -25.343 14 1HB PHE 2 2HB PHE 2 -12.554 -0.185 -23.759 15 2HB PHE 2 1HB PHE 2 -13.231 0.131 -25.358 16 HD1 PHE 2 HD1 PHE 2 -13.967 -1.780 -22.210 17 HD2 PHE 2 HD2 PHE 2 -15.576 0.371 -25.580 18 HE1 PHE 2 HE1 PHE 2 -16.255 -2.039 -21.292 19 HE2 PHE 2 HE2 PHE 2 -17.843 0.084 -24.657 20 HZ PHE 2 HZ PHE 2 -18.192 -1.117 -22.530 21 H THR 3 HN THR 3 -11.036 -2.524 -23.157 22 HA THR 3 HA THR 3 -12.965 -4.066 -21.573 23 HB THR 3 HB THR 3 -11.472 -6.100 -21.728 24 HG1 THR 3 HG1 THR 3 -10.335 -4.613 -23.856 25 1HG2 THR 3 1HG2 THR 3 -12.358 -6.839 -23.832 26 2HG2 THR 3 2HG2 THR 3 -12.481 -5.184 -24.435 27 3HG2 THR 3 3HG2 THR 3 -13.545 -5.734 -23.140 28 H GLY 4 HN GLY 4 -9.604 -3.074 -22.135 29 1HA GLY 4 2HA GLY 4 -7.848 -2.702 -20.630 30 2HA GLY 4 1HA GLY 4 -9.072 -1.892 -19.651 31 H ILE 5 HN ILE 5 -9.473 -5.251 -20.496 32 HA ILE 5 HA ILE 5 -9.543 -5.986 -17.659 33 HB ILE 5 HB ILE 5 -9.683 -7.617 -20.219 34 1HG1 ILE 5 2HG1 ILE 5 -11.911 -6.655 -18.399 35 2HG1 ILE 5 1HG1 ILE 5 -11.441 -5.830 -19.885 36 1HG2 ILE 5 1HG2 ILE 5 -10.973 -8.541 -17.712 37 2HG2 ILE 5 2HG2 ILE 5 -9.211 -8.613 -17.734 38 3HG2 ILE 5 3HG2 ILE 5 -10.145 -9.472 -18.960 39 1HD1 ILE 5 1HD1 ILE 5 -11.943 -7.831 -21.197 40 2HD1 ILE 5 2HD1 ILE 5 -13.353 -7.395 -20.231 41 3HD1 ILE 5 3HD1 ILE 5 -12.316 -8.729 -19.726 42 H VAL 6 HN VAL 6 -7.921 -6.948 -16.498 43 HA VAL 6 HA VAL 6 -5.261 -6.865 -17.720 44 HB VAL 6 HB VAL 6 -6.537 -6.806 -15.043 45 1HG1 VAL 6 1HG1 VAL 6 -4.525 -7.385 -13.824 46 2HG1 VAL 6 2HG1 VAL 6 -3.638 -7.646 -15.323 47 3HG1 VAL 6 3HG1 VAL 6 -4.936 -8.747 -14.864 48 1HG2 VAL 6 1HG2 VAL 6 -5.835 -4.737 -15.936 49 2HG2 VAL 6 2HG2 VAL 6 -4.315 -5.412 -16.523 50 3HG2 VAL 6 3HG2 VAL 6 -4.556 -5.158 -14.798 51 H GLN 7 HN GLN 7 -3.943 -8.569 -18.116 52 HA GLN 7 HA GLN 7 -5.019 -11.239 -18.304 53 1HB GLN 7 2HB GLN 7 -2.276 -9.991 -18.584 54 2HB GLN 7 1HB GLN 7 -2.594 -11.690 -18.938 55 1HG GLN 7 2HG GLN 7 -4.193 -11.104 -20.655 56 2HG GLN 7 1HG GLN 7 -4.111 -9.398 -20.212 57 1HE2 GLN 7 1HE2 GLN 7 -3.465 -10.442 -22.868 58 2HE2 GLN 7 2HE2 GLN 7 -1.823 -10.112 -23.146 59 H GLY 8 HN GLY 8 -2.923 -9.596 -15.917 60 1HA GLY 8 2HA GLY 8 -3.108 -12.022 -14.193 61 2HA GLY 8 1HA GLY 8 -1.507 -11.478 -14.695 62 H THR 9 HN THR 9 -1.929 -11.525 -12.017 63 HA THR 9 HA THR 9 -2.583 -8.688 -11.298 64 HB THR 9 HB THR 9 -3.012 -9.887 -9.016 65 HG1 THR 9 HG1 THR 9 -3.453 -12.078 -10.719 66 1HG2 THR 9 1HG2 THR 9 -4.759 -8.911 -10.462 67 2HG2 THR 9 2HG2 THR 9 -5.305 -10.421 -9.729 68 3HG2 THR 9 3HG2 THR 9 -4.790 -10.396 -11.416 69 H ALA 10 HN ALA 10 -1.486 -8.049 -9.171 70 HA ALA 10 HA ALA 10 1.310 -9.095 -8.931 71 1HB ALA 10 1HB ALA 10 1.403 -6.284 -8.792 72 2HB ALA 10 2HB ALA 10 0.341 -6.631 -10.159 73 3HB ALA 10 3HB ALA 10 1.982 -7.284 -10.124 74 H LYS 11 HN LYS 11 2.197 -8.685 -6.837 75 HA LYS 11 HA LYS 11 0.171 -7.764 -4.821 76 1HB LYS 11 2HB LYS 11 0.885 -10.077 -4.598 77 2HB LYS 11 1HB LYS 11 2.576 -9.591 -4.651 78 1HG LYS 11 2HG LYS 11 2.317 -8.319 -2.579 79 2HG LYS 11 1HG LYS 11 0.600 -8.720 -2.528 80 1HD LYS 11 2HD LYS 11 0.985 -10.810 -1.737 81 2HD LYS 11 1HD LYS 11 2.385 -11.052 -2.784 82 1HE LYS 11 2HE LYS 11 3.717 -9.543 -1.275 83 2HE LYS 11 1HE LYS 11 2.322 -9.491 -0.176 84 1HZ LYS 11 1HZ LYS 11 3.539 -11.299 0.598 85 2HZ LYS 11 2HZ LYS 11 3.966 -11.819 -0.962 86 3HZ LYS 11 3HZ LYS 11 2.377 -12.030 -0.398 87 H LEU 12 HN LEU 12 0.613 -5.685 -4.180 88 HA LEU 12 HA LEU 12 3.133 -4.332 -4.402 89 1HB LEU 12 2HB LEU 12 0.615 -3.587 -3.871 90 2HB LEU 12 1HB LEU 12 1.158 -3.764 -2.222 91 HG LEU 12 HG LEU 12 2.955 -2.172 -2.576 92 1HD1 LEU 12 1HD1 LEU 12 2.096 -2.461 -5.448 93 2HD1 LEU 12 2HD1 LEU 12 3.719 -2.551 -4.766 94 3HD1 LEU 12 3HD1 LEU 12 2.909 -0.992 -4.910 95 1HD2 LEU 12 1HD2 LEU 12 0.148 -1.527 -3.104 96 2HD2 LEU 12 2HD2 LEU 12 1.252 -0.350 -3.818 97 3HD2 LEU 12 3HD2 LEU 12 1.319 -0.684 -2.088 98 H VAL 13 HN VAL 13 4.925 -4.622 -3.188 99 HA VAL 13 HA VAL 13 4.616 -5.990 -0.536 100 HB VAL 13 HB VAL 13 5.654 -7.517 -1.995 101 1HG1 VAL 13 1HG1 VAL 13 6.252 -6.641 -3.988 102 2HG1 VAL 13 2HG1 VAL 13 7.832 -6.427 -3.226 103 3HG1 VAL 13 3HG1 VAL 13 6.690 -5.086 -3.273 104 1HG2 VAL 13 1HG2 VAL 13 6.936 -7.074 0.126 105 2HG2 VAL 13 2HG2 VAL 13 7.986 -6.003 -0.802 106 3HG2 VAL 13 3HG2 VAL 13 7.924 -7.724 -1.183 107 H SER 14 HN SER 14 6.153 -3.481 -2.437 108 HA SER 14 HA SER 14 6.948 -2.131 0.108 109 1HB SER 14 2HB SER 14 8.683 -3.663 -1.576 110 2HB SER 14 1HB SER 14 9.166 -1.972 -1.667 111 HG SER 14 HG SER 14 9.568 -1.960 0.455 112 H ILE 15 HN ILE 15 7.158 0.119 -0.109 113 HA ILE 15 HA ILE 15 6.580 1.257 -2.828 114 HB ILE 15 HB ILE 15 6.266 2.610 -0.137 115 1HG1 ILE 15 2HG1 ILE 15 4.269 0.992 -1.738 116 2HG1 ILE 15 1HG1 ILE 15 4.872 0.644 -0.124 117 1HG2 ILE 15 1HG2 ILE 15 4.495 3.817 -1.687 118 2HG2 ILE 15 2HG2 ILE 15 5.514 3.191 -2.983 119 3HG2 ILE 15 3HG2 ILE 15 6.200 4.269 -1.768 120 1HD1 ILE 15 1HD1 ILE 15 3.088 1.794 0.654 121 2HD1 ILE 15 2HD1 ILE 15 2.731 2.454 -0.941 122 3HD1 ILE 15 3HD1 ILE 15 3.921 3.245 0.095 123 H ASP 16 HN ASP 16 8.085 2.662 -3.656 124 HA ASP 16 HA ASP 16 10.433 3.366 -1.949 125 1HB ASP 16 2HB ASP 16 10.022 2.850 -4.886 126 2HB ASP 16 1HB ASP 16 11.417 3.775 -4.330 127 H GLU 17 HN GLU 17 10.186 5.443 -1.207 128 HA GLU 17 HA GLU 17 8.579 7.359 -2.821 129 1HB GLU 17 2HB GLU 17 8.150 6.831 -0.386 130 2HB GLU 17 1HB GLU 17 9.706 7.570 -0.011 131 1HG GLU 17 2HG GLU 17 8.950 9.692 -1.007 132 2HG GLU 17 1HG GLU 17 7.394 8.958 -1.398 133 H LYS 18 HN LYS 18 9.813 8.547 -4.255 134 HA LYS 18 HA LYS 18 12.452 9.593 -3.284 135 1HB LYS 18 2HB LYS 18 11.574 9.548 -6.167 136 2HB LYS 18 1HB LYS 18 13.205 9.477 -5.508 137 1HG LYS 18 2HG LYS 18 11.994 7.203 -4.463 138 2HG LYS 18 1HG LYS 18 11.348 7.296 -6.103 139 1HD LYS 18 2HD LYS 18 14.283 7.741 -5.689 140 2HD LYS 18 1HD LYS 18 13.661 6.090 -5.638 141 1HE LYS 18 2HE LYS 18 13.172 6.067 -7.882 142 2HE LYS 18 1HE LYS 18 12.698 7.777 -7.896 143 1HZ LYS 18 1HZ LYS 18 14.817 7.479 -9.021 144 2HZ LYS 18 2HZ LYS 18 15.474 6.743 -7.638 145 3HZ LYS 18 3HZ LYS 18 15.028 8.382 -7.601 146 HA PRO 19 HA PRO 19 10.438 13.496 -2.921 147 1HB PRO 19 2HB PRO 19 12.731 14.988 -3.647 148 2HB PRO 19 1HB PRO 19 12.248 14.531 -2.004 149 1HG PRO 19 2HG PRO 19 14.225 13.264 -3.815 150 2HG PRO 19 1HG PRO 19 14.227 13.394 -2.049 151 1HD PRO 19 2HD PRO 19 13.654 11.084 -3.280 152 2HD PRO 19 1HD PRO 19 12.825 11.566 -1.779 153 H ASN 20 HN ASN 20 12.532 12.860 -5.737 154 HA ASN 20 HA ASN 20 11.286 14.836 -7.457 155 1HB ASN 20 2HB ASN 20 12.682 12.284 -8.286 156 2HB ASN 20 1HB ASN 20 12.668 13.836 -9.123 157 1HD2 ASN 20 1HD2 ASN 20 14.430 11.916 -6.916 158 2HD2 ASN 20 2HD2 ASN 20 15.490 13.114 -6.354 159 H PHE 21 HN PHE 21 10.796 11.358 -6.884 160 HA PHE 21 HA PHE 21 8.143 11.506 -8.220 161 1HB PHE 21 2HB PHE 21 10.445 9.718 -9.071 162 2HB PHE 21 1HB PHE 21 8.811 9.645 -9.731 163 HD1 PHE 21 HD1 PHE 21 12.007 11.370 -9.802 164 HD2 PHE 21 HD2 PHE 21 7.870 11.651 -10.938 165 HE1 PHE 21 HE1 PHE 21 12.569 13.181 -11.404 166 HE2 PHE 21 HE2 PHE 21 8.433 13.462 -12.540 167 HZ PHE 21 HZ PHE 21 10.783 14.227 -12.772 168 H ARG 22 HN ARG 22 6.762 9.751 -7.601 169 HA ARG 22 HA ARG 22 7.689 8.213 -5.238 170 1HB ARG 22 2HB ARG 22 5.516 9.424 -5.229 171 2HB ARG 22 1HB ARG 22 4.978 8.416 -6.570 172 1HG ARG 22 2HG ARG 22 5.109 6.421 -5.232 173 2HG ARG 22 1HG ARG 22 5.906 7.291 -3.920 174 1HD ARG 22 2HD ARG 22 3.897 8.602 -3.492 175 2HD ARG 22 1HD ARG 22 3.092 7.890 -4.904 176 HE ARG 22 HE ARG 22 3.836 5.665 -3.490 177 1HH1 ARG 22 1HH1 ARG 22 2.232 8.611 -2.647 178 2HH1 ARG 22 2HH1 ARG 22 1.300 7.888 -1.380 179 1HH2 ARG 22 1HH2 ARG 22 2.622 4.719 -1.840 180 2HH2 ARG 22 2HH2 ARG 22 1.520 5.691 -0.923 181 H THR 23 HN THR 23 7.853 6.003 -5.265 182 HA THR 23 HA THR 23 7.620 4.642 -7.921 183 HB THR 23 HB THR 23 9.751 4.451 -5.764 184 HG1 THR 23 HG1 THR 23 10.919 5.239 -7.812 185 1HG2 THR 23 1HG2 THR 23 10.731 2.738 -6.938 186 2HG2 THR 23 2HG2 THR 23 10.131 3.318 -8.492 187 3HG2 THR 23 3HG2 THR 23 9.059 2.434 -7.407 188 H HIS 24 HN HIS 24 6.754 2.549 -7.830 189 HA HIS 24 HA HIS 24 6.158 1.457 -5.109 190 1HB HIS 24 2HB HIS 24 4.436 2.401 -7.260 191 2HB HIS 24 1HB HIS 24 4.055 0.748 -6.777 192 HD1 HIS 24 HD1 HIS 24 2.842 3.877 -5.984 193 HD2 HIS 24 HD2 HIS 24 4.475 0.889 -3.583 194 HE1 HIS 24 HE1 HIS 24 2.076 4.359 -3.615 195 H VAL 25 HN VAL 25 6.504 -0.748 -4.906 196 HA VAL 25 HA VAL 25 7.229 -2.217 -7.412 197 HB VAL 25 HB VAL 25 8.214 -2.761 -4.617 198 1HG1 VAL 25 1HG1 VAL 25 8.432 -4.373 -6.671 199 2HG1 VAL 25 2HG1 VAL 25 9.833 -4.099 -5.635 200 3HG1 VAL 25 3HG1 VAL 25 9.699 -3.256 -7.179 201 1HG2 VAL 25 1HG2 VAL 25 10.199 -1.438 -6.199 202 2HG2 VAL 25 2HG2 VAL 25 9.488 -0.903 -4.676 203 3HG2 VAL 25 3HG2 VAL 25 8.742 -0.445 -6.206 204 H VAL 26 HN VAL 26 6.111 -4.032 -7.812 205 HA VAL 26 HA VAL 26 4.348 -5.140 -5.660 206 HB VAL 26 HB VAL 26 2.959 -5.885 -7.550 207 1HG1 VAL 26 1HG1 VAL 26 3.596 -3.145 -6.948 208 2HG1 VAL 26 2HG1 VAL 26 2.049 -3.826 -7.452 209 3HG1 VAL 26 3HG1 VAL 26 3.210 -3.286 -8.663 210 1HG2 VAL 26 1HG2 VAL 26 5.436 -5.453 -8.984 211 2HG2 VAL 26 2HG2 VAL 26 4.124 -4.559 -9.752 212 3HG2 VAL 26 3HG2 VAL 26 3.983 -6.301 -9.514 213 H GLU 27 HN GLU 27 3.912 -7.594 -6.170 214 HA GLU 27 HA GLU 27 6.519 -8.964 -6.641 215 1HB GLU 27 2HB GLU 27 4.855 -8.970 -4.509 216 2HB GLU 27 1HB GLU 27 4.116 -10.248 -5.466 217 1HG GLU 27 2HG GLU 27 6.015 -11.612 -5.364 218 2HG GLU 27 1HG GLU 27 7.081 -10.261 -4.983 219 H LEU 28 HN LEU 28 6.600 -9.811 -8.677 220 HA LEU 28 HA LEU 28 4.210 -10.063 -10.291 221 1HB LEU 28 2HB LEU 28 6.743 -9.443 -10.780 222 2HB LEU 28 1HB LEU 28 6.896 -11.180 -11.025 223 HG LEU 28 HG LEU 28 5.190 -11.150 -12.749 224 1HD1 LEU 28 1HD1 LEU 28 4.511 -8.632 -11.460 225 2HD1 LEU 28 2HD1 LEU 28 3.539 -9.621 -12.549 226 3HD1 LEU 28 3HD1 LEU 28 4.665 -8.432 -13.205 227 1HD2 LEU 28 1HD2 LEU 28 6.248 -9.553 -14.377 228 2HD2 LEU 28 2HD2 LEU 28 7.421 -10.555 -13.522 229 3HD2 LEU 28 3HD2 LEU 28 7.179 -8.876 -13.041 230 HA PRO 29 HA PRO 29 3.307 -14.219 -8.996 231 1HB PRO 29 2HB PRO 29 1.512 -14.736 -11.027 232 2HB PRO 29 1HB PRO 29 1.105 -13.912 -9.514 233 1HG PRO 29 2HG PRO 29 1.625 -12.776 -12.204 234 2HG PRO 29 1HG PRO 29 0.510 -12.233 -10.942 235 1HD PRO 29 2HD PRO 29 2.870 -11.004 -11.467 236 2HD PRO 29 1HD PRO 29 2.120 -11.021 -9.856 237 H ASP 30 HN ASP 30 3.216 -16.422 -10.188 238 HA ASP 30 HA ASP 30 5.706 -16.888 -11.436 239 1HB ASP 30 2HB ASP 30 4.769 -19.131 -11.820 240 2HB ASP 30 1HB ASP 30 4.281 -18.532 -10.234 241 H HIS 31 HN HIS 31 2.491 -16.374 -12.918 242 HA HIS 31 HA HIS 31 3.608 -16.908 -15.590 243 1HB HIS 31 2HB HIS 31 1.299 -16.778 -16.290 244 2HB HIS 31 1HB HIS 31 1.356 -17.680 -14.782 245 HD1 HIS 31 HD1 HIS 31 1.840 -14.644 -13.335 246 HD2 HIS 31 HD2 HIS 31 -1.424 -16.153 -15.433 247 HE1 HIS 31 HE1 HIS 31 -0.168 -13.267 -12.629 248 H MET 32 HN MET 32 3.661 -14.253 -13.621 249 HA MET 32 HA MET 32 3.716 -12.401 -15.982 250 1HB MET 32 2HB MET 32 3.235 -11.960 -13.026 251 2HB MET 32 1HB MET 32 3.590 -10.631 -14.130 252 1HG MET 32 2HG MET 32 1.285 -12.584 -14.408 253 2HG MET 32 1HG MET 32 1.157 -10.912 -13.855 254 1HE MET 32 1HE MET 32 3.037 -9.142 -16.564 255 2HE MET 32 2HE MET 32 2.474 -9.221 -14.897 256 3HE MET 32 3HE MET 32 1.389 -8.644 -16.158 257 H LEU 33 HN LEU 33 5.554 -14.097 -13.661 258 HA LEU 33 HA LEU 33 7.819 -12.364 -13.316 259 1HB LEU 33 2HB LEU 33 7.202 -15.294 -13.147 260 2HB LEU 33 1HB LEU 33 8.887 -14.780 -13.068 261 HG LEU 33 HG LEU 33 6.742 -13.549 -11.322 262 1HD1 LEU 33 1HD1 LEU 33 8.519 -15.309 -9.899 263 2HD1 LEU 33 2HD1 LEU 33 7.734 -16.210 -11.197 264 3HD1 LEU 33 3HD1 LEU 33 6.758 -15.368 -9.994 265 1HD2 LEU 33 1HD2 LEU 33 9.215 -12.650 -11.885 266 2HD2 LEU 33 2HD2 LEU 33 9.618 -13.771 -10.585 267 3HD2 LEU 33 3HD2 LEU 33 8.480 -12.455 -10.295 268 H ASP 34 HN ASP 34 6.830 -14.560 -15.889 269 HA ASP 34 HA ASP 34 9.445 -14.349 -17.249 270 1HB ASP 34 2HB ASP 34 7.904 -16.410 -16.947 271 2HB ASP 34 1HB ASP 34 6.923 -15.692 -18.225 272 H GLY 35 HN GLY 35 9.788 -13.154 -19.127 273 1HA GLY 35 2HA GLY 35 9.088 -12.107 -21.172 274 2HA GLY 35 1HA GLY 35 7.442 -12.041 -20.548 275 H LEU 36 HN LEU 36 7.971 -10.788 -18.047 276 HA LEU 36 HA LEU 36 8.001 -8.049 -18.964 277 1HB LEU 36 2HB LEU 36 6.647 -9.076 -17.097 278 2HB LEU 36 1HB LEU 36 8.129 -9.142 -16.141 279 HG LEU 36 HG LEU 36 7.323 -6.550 -17.422 280 1HD1 LEU 36 1HD1 LEU 36 5.679 -7.977 -15.593 281 2HD1 LEU 36 2HD1 LEU 36 5.491 -6.311 -16.141 282 3HD1 LEU 36 3HD1 LEU 36 6.435 -6.662 -14.693 283 1HD2 LEU 36 1HD2 LEU 36 9.032 -5.781 -16.166 284 2HD2 LEU 36 2HD2 LEU 36 9.401 -7.454 -15.748 285 3HD2 LEU 36 3HD2 LEU 36 8.345 -6.498 -14.709 286 H GLU 37 HN GLU 37 9.513 -6.406 -18.486 287 HA GLU 37 HA GLU 37 12.012 -7.082 -17.056 288 1HB GLU 37 2HB GLU 37 13.394 -6.468 -18.996 289 2HB GLU 37 1HB GLU 37 12.310 -7.790 -19.432 290 1HG GLU 37 2HG GLU 37 10.720 -6.131 -20.392 291 2HG GLU 37 1HG GLU 37 11.876 -4.849 -20.029 292 H THR 38 HN THR 38 13.390 -5.000 -16.889 293 HA THR 38 HA THR 38 11.820 -2.803 -15.948 294 HB THR 38 HB THR 38 14.305 -1.796 -16.594 295 HG1 THR 38 HG1 THR 38 15.603 -3.382 -16.946 296 1HG2 THR 38 1HG2 THR 38 14.477 -1.675 -14.352 297 2HG2 THR 38 2HG2 THR 38 14.339 -3.423 -14.169 298 3HG2 THR 38 3HG2 THR 38 12.891 -2.436 -14.320 299 H GLY 39 HN GLY 39 11.453 -0.717 -16.953 300 1HA GLY 39 2HA GLY 39 11.247 0.818 -18.739 301 2HA GLY 39 1HA GLY 39 12.221 -0.257 -19.736 302 H ALA 40 HN ALA 40 10.030 -2.289 -18.489 303 HA ALA 40 HA ALA 40 8.398 -2.414 -20.894 304 1HB ALA 40 1HB ALA 40 8.551 -3.761 -18.202 305 2HB ALA 40 2HB ALA 40 8.837 -4.455 -19.801 306 3HB ALA 40 3HB ALA 40 7.192 -4.094 -19.279 307 H SER 41 HN SER 41 6.035 -2.037 -20.922 308 HA SER 41 HA SER 41 5.207 0.045 -18.946 309 1HB SER 41 2HB SER 41 3.254 -0.063 -20.825 310 2HB SER 41 1HB SER 41 4.708 0.907 -21.006 311 HG SER 41 HG SER 41 5.563 -0.584 -22.320 312 H VAL 42 HN VAL 42 4.354 -1.016 -17.179 313 HA VAL 42 HA VAL 42 2.527 -3.322 -17.584 314 HB VAL 42 HB VAL 42 4.089 -2.089 -15.346 315 1HG1 VAL 42 1HG1 VAL 42 2.289 -2.118 -13.970 316 2HG1 VAL 42 2HG1 VAL 42 2.541 -3.863 -13.974 317 3HG1 VAL 42 3HG1 VAL 42 1.351 -3.140 -15.057 318 1HG2 VAL 42 1HG2 VAL 42 5.089 -4.106 -15.406 319 2HG2 VAL 42 2HG2 VAL 42 4.129 -4.456 -16.844 320 3HG2 VAL 42 3HG2 VAL 42 3.534 -4.924 -15.249 321 H ALA 43 HN ALA 43 0.350 -2.987 -17.582 322 HA ALA 43 HA ALA 43 -0.708 -0.319 -16.794 323 1HB ALA 43 1HB ALA 43 -2.357 -0.787 -18.297 324 2HB ALA 43 2HB ALA 43 -2.538 -2.440 -17.713 325 3HB ALA 43 3HB ALA 43 -1.262 -2.048 -18.866 326 H HIS 44 HN HIS 44 -1.341 -0.148 -14.692 327 HA HIS 44 HA HIS 44 -1.931 -2.591 -13.118 328 1HB HIS 44 2HB HIS 44 -1.281 0.285 -12.619 329 2HB HIS 44 1HB HIS 44 -2.214 -0.560 -11.384 330 HD1 HIS 44 HD1 HIS 44 0.482 -2.208 -13.499 331 HD2 HIS 44 HD2 HIS 44 -0.126 -0.947 -9.562 332 HE1 HIS 44 HE1 HIS 44 2.429 -3.101 -12.144 333 HE2 HIS 44 HE2 HIS 44 2.066 -2.331 -9.759 334 H ASN 45 HN ASN 45 -3.957 -3.282 -13.588 335 HA ASN 45 HA ASN 45 -6.265 -3.296 -13.954 336 1HB ASN 45 2HB ASN 45 -5.847 -1.840 -11.709 337 2HB ASN 45 1HB ASN 45 -6.629 -0.624 -12.726 338 1HD2 ASN 45 1HD2 ASN 45 -7.157 -3.554 -10.906 339 2HD2 ASN 45 2HD2 ASN 45 -8.795 -3.743 -11.286 340 H GLY 46 HN GLY 46 -4.178 -1.500 -15.577 341 1HA GLY 46 2HA GLY 46 -4.927 -1.090 -17.904 342 2HA GLY 46 1HA GLY 46 -6.339 -0.279 -17.235 343 H CYS 47 HN CYS 47 -3.929 0.754 -15.244 344 HA CYS 47 HA CYS 47 -3.562 3.240 -16.831 345 1HB CYS 47 2HB CYS 47 -4.223 3.175 -14.379 346 2HB CYS 47 1HB CYS 47 -2.611 2.551 -14.028 347 HG CYS 47 HG CYS 47 -1.788 4.855 -15.341 348 H CYS 48 HN CYS 48 -1.892 3.090 -18.290 349 HA CYS 48 HA CYS 48 0.170 1.106 -18.055 350 1HB CYS 48 2HB CYS 48 1.029 2.285 -20.103 351 2HB CYS 48 1HB CYS 48 -0.689 1.888 -20.190 352 HG CYS 48 HG CYS 48 0.468 4.701 -20.169 353 H LEU 49 HN LEU 49 2.090 1.232 -17.009 354 HA LEU 49 HA LEU 49 3.438 3.858 -16.767 355 1HB LEU 49 2HB LEU 49 3.913 3.242 -14.331 356 2HB LEU 49 1HB LEU 49 2.243 3.680 -14.691 357 HG LEU 49 HG LEU 49 2.856 0.815 -15.048 358 1HD1 LEU 49 1HD1 LEU 49 3.706 2.203 -12.659 359 2HD1 LEU 49 2HD1 LEU 49 3.868 0.490 -13.061 360 3HD1 LEU 49 3HD1 LEU 49 2.402 1.075 -12.273 361 1HD2 LEU 49 1HD2 LEU 49 0.620 0.692 -14.684 362 2HD2 LEU 49 2HD2 LEU 49 0.617 2.455 -14.717 363 3HD2 LEU 49 3HD2 LEU 49 0.749 1.603 -13.179 364 H THR 50 HN THR 50 5.787 3.561 -16.306 365 HA THR 50 HA THR 50 6.703 1.056 -17.613 366 HB THR 50 HB THR 50 8.322 3.538 -17.036 367 HG1 THR 50 HG1 THR 50 7.425 3.835 -19.392 368 1HG2 THR 50 1HG2 THR 50 9.529 2.869 -19.023 369 2HG2 THR 50 2HG2 THR 50 8.337 1.620 -19.382 370 3HG2 THR 50 3HG2 THR 50 9.390 1.455 -17.978 371 H VAL 51 HN VAL 51 8.465 -0.160 -16.796 372 HA VAL 51 HA VAL 51 8.556 -0.366 -13.897 373 HB VAL 51 HB VAL 51 10.290 -1.729 -15.986 374 1HG1 VAL 51 1HG1 VAL 51 9.797 -3.592 -14.147 375 2HG1 VAL 51 2HG1 VAL 51 9.582 -2.170 -13.125 376 3HG1 VAL 51 3HG1 VAL 51 11.108 -2.434 -13.953 377 1HG2 VAL 51 1HG2 VAL 51 7.472 -2.356 -15.061 378 2HG2 VAL 51 2HG2 VAL 51 8.489 -3.479 -15.965 379 3HG2 VAL 51 3HG2 VAL 51 7.990 -1.959 -16.698 380 H THR 52 HN THR 52 9.853 0.913 -12.665 381 HA THR 52 HA THR 52 12.176 2.350 -13.686 382 HB THR 52 HB THR 52 12.355 3.046 -11.355 383 HG1 THR 52 HG1 THR 52 11.057 2.010 -9.797 384 1HG2 THR 52 1HG2 THR 52 9.506 3.051 -11.210 385 2HG2 THR 52 2HG2 THR 52 9.965 3.208 -12.905 386 3HG2 THR 52 3HG2 THR 52 10.574 4.359 -11.715 387 H GLU 53 HN GLU 53 11.617 -0.584 -11.732 388 HA GLU 53 HA GLU 53 14.265 -1.646 -12.464 389 1HB GLU 53 2HB GLU 53 14.759 0.028 -10.715 390 2HB GLU 53 1HB GLU 53 13.598 -0.749 -9.639 391 1HG GLU 53 2HG GLU 53 14.933 -2.825 -9.693 392 2HG GLU 53 1HG GLU 53 16.096 -2.047 -10.767 393 H ILE 54 HN ILE 54 14.467 -3.882 -11.812 394 HA ILE 54 HA ILE 54 11.914 -5.116 -10.797 395 HB ILE 54 HB ILE 54 14.200 -6.144 -12.525 396 1HG1 ILE 54 2HG1 ILE 54 11.399 -6.267 -13.433 397 2HG1 ILE 54 1HG1 ILE 54 12.016 -4.632 -13.213 398 1HG2 ILE 54 1HG2 ILE 54 11.908 -7.878 -12.450 399 2HG2 ILE 54 2HG2 ILE 54 12.465 -7.594 -10.800 400 3HG2 ILE 54 3HG2 ILE 54 13.576 -8.245 -12.007 401 1HD1 ILE 54 1HD1 ILE 54 12.419 -6.193 -15.460 402 2HD1 ILE 54 2HD1 ILE 54 13.923 -6.409 -14.564 403 3HD1 ILE 54 3HD1 ILE 54 13.389 -4.788 -15.015 404 H ASN 55 HN ASN 55 12.023 -6.066 -8.849 405 HA ASN 55 HA ASN 55 14.687 -6.387 -7.541 406 1HB ASN 55 2HB ASN 55 11.856 -5.898 -6.686 407 2HB ASN 55 1HB ASN 55 12.945 -6.693 -5.548 408 1HD2 ASN 55 1HD2 ASN 55 12.756 -3.775 -7.652 409 2HD2 ASN 55 2HD2 ASN 55 13.711 -2.802 -6.640 410 H GLY 56 HN GLY 56 14.593 -8.373 -9.214 411 1HA GLY 56 2HA GLY 56 14.655 -10.748 -9.277 412 2HA GLY 56 1HA GLY 56 13.966 -10.780 -7.652 413 H ASN 57 HN ASN 57 11.868 -11.436 -7.535 414 HA ASN 57 HA ASN 57 10.255 -11.656 -9.973 415 1HB ASN 57 2HB ASN 57 9.157 -13.194 -8.709 416 2HB ASN 57 1HB ASN 57 10.434 -12.949 -7.540 417 1HD2 ASN 57 1HD2 ASN 57 7.361 -11.461 -8.519 418 2HD2 ASN 57 2HD2 ASN 57 6.850 -11.044 -6.956 419 H HIS 58 HN HIS 58 10.763 -9.389 -7.392 420 HA HIS 58 HA HIS 58 8.206 -8.031 -7.541 421 1HB HIS 58 2HB HIS 58 10.947 -7.504 -6.429 422 2HB HIS 58 1HB HIS 58 9.730 -6.231 -6.400 423 HD1 HIS 58 HD1 HIS 58 10.979 -8.524 -4.143 424 HD2 HIS 58 HD2 HIS 58 7.078 -7.748 -5.405 425 HE1 HIS 58 HE1 HIS 58 9.443 -9.411 -2.336 426 H VAL 59 HN VAL 59 7.918 -5.837 -8.392 427 HA VAL 59 HA VAL 59 10.017 -4.910 -10.265 428 HB VAL 59 HB VAL 59 7.131 -5.516 -10.928 429 1HG1 VAL 59 1HG1 VAL 59 7.224 -3.674 -12.243 430 2HG1 VAL 59 2HG1 VAL 59 8.353 -4.602 -13.234 431 3HG1 VAL 59 3HG1 VAL 59 8.962 -3.501 -12.000 432 1HG2 VAL 59 1HG2 VAL 59 8.818 -6.474 -12.904 433 2HG2 VAL 59 2HG2 VAL 59 8.167 -7.433 -11.574 434 3HG2 VAL 59 3HG2 VAL 59 9.770 -6.705 -11.435 435 H SER 60 HN SER 60 10.394 -2.816 -9.745 436 HA SER 60 HA SER 60 8.376 -1.181 -8.335 437 1HB SER 60 2HB SER 60 10.999 -1.398 -8.006 438 2HB SER 60 1HB SER 60 11.028 -0.201 -9.297 439 HG SER 60 HG SER 60 10.687 0.281 -6.789 440 H PHE 61 HN PHE 61 7.203 0.381 -9.380 441 HA PHE 61 HA PHE 61 8.036 1.141 -12.157 442 1HB PHE 61 2HB PHE 61 5.447 1.363 -12.457 443 2HB PHE 61 1HB PHE 61 6.175 -0.240 -12.518 444 HD1 PHE 61 HD1 PHE 61 6.230 -1.633 -10.383 445 HD2 PHE 61 HD2 PHE 61 3.809 1.893 -10.812 446 HE1 PHE 61 HE1 PHE 61 4.828 -2.366 -8.475 447 HE2 PHE 61 HE2 PHE 61 2.401 1.158 -8.906 448 HZ PHE 61 HZ PHE 61 2.911 -0.973 -7.736 449 H ASP 62 HN ASP 62 7.479 3.325 -12.756 450 HA ASP 62 HA ASP 62 7.743 5.097 -10.428 451 1HB ASP 62 2HB ASP 62 8.289 6.753 -12.158 452 2HB ASP 62 1HB ASP 62 9.122 5.240 -12.507 453 H LEU 63 HN LEU 63 6.453 6.893 -9.969 454 HA LEU 63 HA LEU 63 3.798 7.137 -11.263 455 1HB LEU 63 2HB LEU 63 4.467 5.508 -8.976 456 2HB LEU 63 1HB LEU 63 3.368 6.789 -8.485 457 HG LEU 63 HG LEU 63 2.635 5.530 -11.035 458 1HD1 LEU 63 1HD1 LEU 63 2.190 3.866 -8.569 459 2HD1 LEU 63 2HD1 LEU 63 3.681 3.686 -9.498 460 3HD1 LEU 63 3HD1 LEU 63 2.118 3.380 -10.263 461 1HD2 LEU 63 1HD2 LEU 63 1.365 7.109 -9.281 462 2HD2 LEU 63 2HD2 LEU 63 0.906 5.554 -8.591 463 3HD2 LEU 63 3HD2 LEU 63 0.487 5.935 -10.261 464 H MET 64 HN MET 64 4.161 9.387 -11.569 465 HA MET 64 HA MET 64 5.506 11.101 -9.746 466 1HB MET 64 2HB MET 64 4.999 11.606 -12.106 467 2HB MET 64 1HB MET 64 3.281 11.677 -11.727 468 1HG MET 64 2HG MET 64 3.695 13.552 -10.178 469 2HG MET 64 1HG MET 64 5.416 13.482 -10.556 470 1HE MET 64 1HE MET 64 6.188 13.162 -12.733 471 2HE MET 64 2HE MET 64 6.294 14.810 -13.349 472 3HE MET 64 3HE MET 64 5.414 13.590 -14.265 473 H LYS 65 HN LYS 65 4.788 12.245 -7.941 474 HA LYS 65 HA LYS 65 2.671 11.211 -6.395 475 1HB LYS 65 2HB LYS 65 4.615 12.482 -5.561 476 2HB LYS 65 1HB LYS 65 3.998 13.941 -6.338 477 1HG LYS 65 2HG LYS 65 1.979 13.856 -4.945 478 2HG LYS 65 1HG LYS 65 2.554 12.370 -4.184 479 1HD LYS 65 2HD LYS 65 3.133 14.151 -2.689 480 2HD LYS 65 1HD LYS 65 4.630 13.671 -3.490 481 1HE LYS 65 2HE LYS 65 3.227 15.700 -5.041 482 2HE LYS 65 1HE LYS 65 3.587 16.268 -3.398 483 1HZ LYS 65 1HZ LYS 65 5.824 15.921 -3.659 484 2HZ LYS 65 2HZ LYS 65 5.412 16.376 -5.244 485 3HZ LYS 65 3HZ LYS 65 5.625 14.735 -4.856 486 H GLU 66 HN GLU 66 2.734 14.153 -8.431 487 HA GLU 66 HA GLU 66 0.005 14.908 -7.830 488 1HB GLU 66 2HB GLU 66 1.748 16.447 -8.681 489 2HB GLU 66 1HB GLU 66 1.832 15.523 -10.181 490 1HG GLU 66 2HG GLU 66 -0.534 16.047 -10.643 491 2HG GLU 66 1HG GLU 66 -0.619 16.976 -9.146 492 H THR 67 HN THR 67 1.535 13.010 -10.419 493 HA THR 67 HA THR 67 -0.848 12.424 -11.926 494 HB THR 67 HB THR 67 1.669 10.808 -11.403 495 HG1 THR 67 HG1 THR 67 0.999 12.933 -13.079 496 1HG2 THR 67 1HG2 THR 67 -0.601 10.542 -13.355 497 2HG2 THR 67 2HG2 THR 67 0.181 9.294 -12.385 498 3HG2 THR 67 3HG2 THR 67 1.012 9.971 -13.784 499 H LEU 68 HN LEU 68 0.636 10.992 -9.047 500 HA LEU 68 HA LEU 68 -0.954 8.667 -8.801 501 1HB LEU 68 2HB LEU 68 1.152 9.312 -7.593 502 2HB LEU 68 1HB LEU 68 0.223 10.500 -6.685 503 HG LEU 68 HG LEU 68 -1.306 8.505 -6.046 504 1HD1 LEU 68 1HD1 LEU 68 1.007 7.208 -7.406 505 2HD1 LEU 68 2HD1 LEU 68 -0.664 6.662 -7.267 506 3HD1 LEU 68 3HD1 LEU 68 0.445 6.456 -5.912 507 1HD2 LEU 68 1HD2 LEU 68 -0.235 9.086 -4.142 508 2HD2 LEU 68 2HD2 LEU 68 1.235 9.492 -5.027 509 3HD2 LEU 68 3HD2 LEU 68 0.940 7.826 -4.524 510 H ARG 69 HN ARG 69 -1.396 11.964 -7.496 511 HA ARG 69 HA ARG 69 -3.974 11.442 -6.271 512 1HB ARG 69 2HB ARG 69 -2.431 13.252 -5.628 513 2HB ARG 69 1HB ARG 69 -2.615 13.981 -7.224 514 1HG ARG 69 2HG ARG 69 -5.029 14.279 -6.814 515 2HG ARG 69 1HG ARG 69 -4.846 13.553 -5.216 516 1HD ARG 69 2HD ARG 69 -3.256 15.355 -4.589 517 2HD ARG 69 1HD ARG 69 -3.508 16.104 -6.179 518 HE ARG 69 HE ARG 69 -5.627 16.837 -5.431 519 1HH1 ARG 69 1HH1 ARG 69 -4.399 14.263 -3.479 520 2HH1 ARG 69 2HH1 ARG 69 -5.696 14.340 -2.336 521 1HH2 ARG 69 1HH2 ARG 69 -7.324 16.941 -3.947 522 2HH2 ARG 69 2HH2 ARG 69 -7.350 15.851 -2.600 523 H ILE 70 HN ILE 70 -2.954 12.773 -9.415 524 HA ILE 70 HA ILE 70 -5.528 13.619 -10.283 525 HB ILE 70 HB ILE 70 -2.905 13.814 -11.042 526 1HG1 ILE 70 2HG1 ILE 70 -5.297 14.422 -12.792 527 2HG1 ILE 70 1HG1 ILE 70 -4.759 15.418 -11.438 528 1HG2 ILE 70 1HG2 ILE 70 -2.825 13.011 -13.420 529 2HG2 ILE 70 2HG2 ILE 70 -4.294 12.087 -13.101 530 3HG2 ILE 70 3HG2 ILE 70 -2.810 11.717 -12.224 531 1HD1 ILE 70 1HD1 ILE 70 -2.481 15.513 -12.606 532 2HD1 ILE 70 2HD1 ILE 70 -3.788 16.415 -13.374 533 3HD1 ILE 70 3HD1 ILE 70 -3.296 14.850 -14.022 534 H THR 71 HN THR 71 -3.697 10.648 -10.804 535 HA THR 71 HA THR 71 -5.908 9.320 -12.211 536 HB THR 71 HB THR 71 -4.312 7.478 -12.315 537 HG1 THR 71 HG1 THR 71 -3.181 8.910 -10.204 538 1HG2 THR 71 1HG2 THR 71 -3.937 9.703 -13.636 539 2HG2 THR 71 2HG2 THR 71 -2.650 8.496 -13.600 540 3HG2 THR 71 3HG2 THR 71 -2.563 9.909 -12.549 541 H ASN 72 HN ASN 72 -6.093 6.897 -11.150 542 HA ASN 72 HA ASN 72 -6.732 7.275 -8.254 543 1HB ASN 72 2HB ASN 72 -8.668 6.553 -9.364 544 2HB ASN 72 1HB ASN 72 -7.758 5.593 -10.519 545 1HD2 ASN 72 1HD2 ASN 72 -8.795 3.580 -10.149 546 2HD2 ASN 72 2HD2 ASN 72 -8.724 2.762 -8.664 547 H LEU 73 HN LEU 73 -4.066 6.783 -9.717 548 HA LEU 73 HA LEU 73 -3.226 4.076 -9.102 549 1HB LEU 73 2HB LEU 73 -1.809 6.719 -9.554 550 2HB LEU 73 1HB LEU 73 -0.953 5.192 -9.349 551 HG LEU 73 HG LEU 73 -3.086 5.637 -11.463 552 1HD1 LEU 73 1HD1 LEU 73 -0.692 6.915 -11.468 553 2HD1 LEU 73 2HD1 LEU 73 -1.510 6.380 -12.936 554 3HD1 LEU 73 3HD1 LEU 73 -0.234 5.390 -12.228 555 1HD2 LEU 73 1HD2 LEU 73 -2.924 3.345 -11.316 556 2HD2 LEU 73 2HD2 LEU 73 -1.305 3.400 -10.620 557 3HD2 LEU 73 3HD2 LEU 73 -1.526 3.628 -12.355 558 H GLY 74 HN GLY 74 -3.070 7.191 -7.344 559 1HA GLY 74 2HA GLY 74 -1.478 6.510 -5.185 560 2HA GLY 74 1HA GLY 74 -2.865 7.581 -5.043 561 H ASP 75 HN ASP 75 -4.611 5.231 -5.966 562 HA ASP 75 HA ASP 75 -5.521 4.462 -3.388 563 1HB ASP 75 2HB ASP 75 -7.008 3.023 -4.644 564 2HB ASP 75 1HB ASP 75 -6.745 4.479 -5.602 565 H LEU 76 HN LEU 76 -2.953 3.184 -5.326 566 HA LEU 76 HA LEU 76 -2.916 0.464 -4.522 567 1HB LEU 76 2HB LEU 76 -0.697 2.414 -5.164 568 2HB LEU 76 1HB LEU 76 -0.474 0.672 -5.069 569 HG LEU 76 HG LEU 76 -2.480 2.010 -6.902 570 1HD1 LEU 76 1HD1 LEU 76 -0.640 2.585 -8.108 571 2HD1 LEU 76 2HD1 LEU 76 -0.551 0.867 -8.498 572 3HD1 LEU 76 3HD1 LEU 76 0.413 1.521 -7.174 573 1HD2 LEU 76 1HD2 LEU 76 -1.558 -0.620 -7.656 574 2HD2 LEU 76 2HD2 LEU 76 -3.201 -0.089 -7.295 575 3HD2 LEU 76 3HD2 LEU 76 -2.150 -0.652 -5.995 576 H LYS 77 HN LYS 77 -2.054 -0.578 -2.760 577 HA LYS 77 HA LYS 77 -0.608 0.974 -0.676 578 1HB LYS 77 2HB LYS 77 -3.137 -0.654 -0.225 579 2HB LYS 77 1HB LYS 77 -2.184 0.120 1.043 580 1HG LYS 77 2HG LYS 77 -2.596 2.324 0.014 581 2HG LYS 77 1HG LYS 77 -3.553 1.554 -1.252 582 1HD LYS 77 2HD LYS 77 -5.126 0.702 0.450 583 2HD LYS 77 1HD LYS 77 -4.173 1.477 1.716 584 1HE LYS 77 2HE LYS 77 -4.812 3.378 -0.393 585 2HE LYS 77 1HE LYS 77 -6.282 2.655 0.291 586 1HZ LYS 77 1HZ LYS 77 -5.762 3.344 2.401 587 2HZ LYS 77 2HZ LYS 77 -5.144 4.644 1.498 588 3HZ LYS 77 3HZ LYS 77 -4.097 3.444 2.090 589 H VAL 78 HN VAL 78 0.795 -0.394 0.538 590 HA VAL 78 HA VAL 78 1.640 -2.777 -0.807 591 HB VAL 78 HB VAL 78 2.238 -1.869 2.028 592 1HG1 VAL 78 1HG1 VAL 78 3.010 -4.165 0.707 593 2HG1 VAL 78 2HG1 VAL 78 3.912 -3.407 2.023 594 3HG1 VAL 78 3HG1 VAL 78 4.344 -3.060 0.346 595 1HG2 VAL 78 1HG2 VAL 78 3.492 -1.084 -0.617 596 2HG2 VAL 78 2HG2 VAL 78 4.136 -0.665 0.969 597 3HG2 VAL 78 3HG2 VAL 78 2.581 -0.022 0.455 598 H GLY 79 HN GLY 79 1.437 -4.956 -0.173 599 1HA GLY 79 2HA GLY 79 0.499 -6.795 1.027 600 2HA GLY 79 1HA GLY 79 -0.387 -5.650 2.039 601 H ASP 80 HN ASP 80 -0.933 -4.315 -0.806 602 HA ASP 80 HA ASP 80 -3.458 -5.826 -1.267 603 1HB ASP 80 2HB ASP 80 -3.267 -3.293 -0.946 604 2HB ASP 80 1HB ASP 80 -2.487 -3.248 -2.524 605 H TRP 81 HN TRP 81 -4.023 -6.277 -3.568 606 HA TRP 81 HA TRP 81 -1.573 -6.793 -5.218 607 1HB TRP 81 2HB TRP 81 -4.198 -8.268 -4.920 608 2HB TRP 81 1HB TRP 81 -3.091 -8.587 -6.249 609 HD1 TRP 81 HD1 TRP 81 -2.421 -8.037 -2.466 610 HE1 TRP 81 HE1 TRP 81 -0.952 -9.967 -1.629 611 HE3 TRP 81 HE3 TRP 81 -2.087 -10.808 -6.745 612 HZ2 TRP 81 HZ2 TRP 81 0.204 -12.383 -2.623 613 HZ3 TRP 81 HZ3 TRP 81 -0.795 -12.927 -6.769 614 HH2 TRP 81 HH2 TRP 81 0.349 -13.715 -4.712 615 H VAL 82 HN VAL 82 -1.724 -6.267 -7.448 616 HA VAL 82 HA VAL 82 -3.987 -4.463 -8.198 617 HB VAL 82 HB VAL 82 -1.993 -3.181 -8.119 618 1HG1 VAL 82 1HG1 VAL 82 -0.751 -5.746 -8.954 619 2HG1 VAL 82 2HG1 VAL 82 -0.188 -4.555 -7.779 620 3HG1 VAL 82 3HG1 VAL 82 0.038 -4.269 -9.506 621 1HG2 VAL 82 1HG2 VAL 82 -1.549 -4.031 -10.924 622 2HG2 VAL 82 2HG2 VAL 82 -1.845 -2.415 -10.274 623 3HG2 VAL 82 3HG2 VAL 82 -3.193 -3.525 -10.529 624 H ASN 83 HN ASN 83 -4.737 -4.617 -10.375 625 HA ASN 83 HA ASN 83 -4.398 -7.210 -11.747 626 1HB ASN 83 2HB ASN 83 -6.150 -4.854 -11.783 627 2HB ASN 83 1HB ASN 83 -5.749 -5.412 -13.394 628 1HD2 ASN 83 1HD2 ASN 83 -8.274 -5.899 -13.132 629 2HD2 ASN 83 2HD2 ASN 83 -8.642 -7.469 -12.603 630 H VAL 84 HN VAL 84 -2.344 -7.364 -12.654 631 HA VAL 84 HA VAL 84 -1.268 -4.936 -14.020 632 HB VAL 84 HB VAL 84 0.869 -6.536 -13.906 633 1HG1 VAL 84 1HG1 VAL 84 0.380 -4.279 -12.831 634 2HG1 VAL 84 2HG1 VAL 84 1.515 -5.320 -11.966 635 3HG1 VAL 84 3HG1 VAL 84 -0.153 -5.178 -11.408 636 1HG2 VAL 84 1HG2 VAL 84 0.881 -7.958 -11.963 637 2HG2 VAL 84 2HG2 VAL 84 -0.526 -8.413 -12.925 638 3HG2 VAL 84 3HG2 VAL 84 -0.728 -7.415 -11.484 639 H GLU 85 HN GLU 85 -0.728 -4.956 -16.133 640 HA GLU 85 HA GLU 85 -0.989 -7.531 -17.657 641 1HB GLU 85 2HB GLU 85 -3.106 -6.266 -17.736 642 2HB GLU 85 1HB GLU 85 -2.238 -4.843 -18.315 643 1HG GLU 85 2HG GLU 85 -1.516 -6.091 -20.317 644 2HG GLU 85 1HG GLU 85 -2.387 -7.514 -19.743 645 H ARG 86 HN ARG 86 0.432 -7.686 -19.425 646 HA ARG 86 HA ARG 86 2.739 -5.910 -19.372 647 1HB ARG 86 2HB ARG 86 2.943 -8.310 -19.689 648 2HB ARG 86 1HB ARG 86 1.891 -8.250 -21.103 649 1HG ARG 86 2HG ARG 86 3.537 -6.836 -22.275 650 2HG ARG 86 1HG ARG 86 4.594 -6.895 -20.863 651 1HD ARG 86 2HD ARG 86 5.284 -8.572 -22.565 652 2HD ARG 86 1HD ARG 86 4.723 -9.372 -21.084 653 HE ARG 86 HE ARG 86 2.806 -10.121 -22.259 654 1HH1 ARG 86 1HH1 ARG 86 4.490 -7.631 -23.968 655 2HH1 ARG 86 2HH1 ARG 86 3.546 -7.808 -25.408 656 1HH2 ARG 86 1HH2 ARG 86 1.572 -10.354 -24.131 657 2HH2 ARG 86 2HH2 ARG 86 1.897 -9.344 -25.501 658 H ALA 87 HN ALA 87 3.082 -4.149 -20.665 659 HA ALA 87 HA ALA 87 1.509 -3.911 -23.205 660 1HB ALA 87 1HB ALA 87 0.937 -2.417 -21.133 661 2HB ALA 87 2HB ALA 87 1.089 -1.652 -22.715 662 3HB ALA 87 3HB ALA 87 2.417 -1.560 -21.560 663 H ALA 88 HN ALA 88 2.688 -3.125 -24.973 664 HA ALA 88 HA ALA 88 5.611 -2.586 -24.556 665 1HB ALA 88 1HB ALA 88 5.033 -4.059 -26.980 666 2HB ALA 88 2HB ALA 88 4.358 -4.903 -25.585 667 3HB ALA 88 3HB ALA 88 6.078 -4.516 -25.636 668 H LYS 89 HN LYS 89 6.462 -1.047 -25.970 669 HA LYS 89 HA LYS 89 4.755 0.849 -27.231 670 1HB LYS 89 2HB LYS 89 7.677 0.098 -27.530 671 2HB LYS 89 1HB LYS 89 6.975 1.535 -28.277 672 1HG LYS 89 2HG LYS 89 6.769 2.636 -26.285 673 2HG LYS 89 1HG LYS 89 6.371 1.164 -25.399 674 1HD LYS 89 2HD LYS 89 8.681 0.482 -25.344 675 2HD LYS 89 1HD LYS 89 9.146 1.791 -26.434 676 1HE LYS 89 2HE LYS 89 8.897 3.435 -24.780 677 2HE LYS 89 1HE LYS 89 7.790 2.434 -23.820 678 1HZ LYS 89 1HZ LYS 89 10.269 2.601 -23.120 679 2HZ LYS 89 2HZ LYS 89 10.518 1.478 -24.371 680 3HZ LYS 89 3HZ LYS 89 9.489 1.095 -23.074 681 H PHE 90 HN PHE 90 6.532 -1.941 -28.545 682 HA PHE 90 HA PHE 90 4.764 -1.831 -30.953 683 1HB PHE 90 2HB PHE 90 6.755 -2.282 -32.344 684 2HB PHE 90 1HB PHE 90 6.957 -0.780 -31.443 685 HD1 PHE 90 HD1 PHE 90 8.504 -0.630 -29.553 686 HD2 PHE 90 HD2 PHE 90 8.010 -4.297 -31.742 687 HE1 PHE 90 HE1 PHE 90 10.553 -1.542 -28.488 688 HE2 PHE 90 HE2 PHE 90 10.059 -5.208 -30.678 689 HZ PHE 90 HZ PHE 90 11.330 -3.831 -29.051 690 H SER 91 HN SER 91 4.518 -3.936 -31.962 691 HA SER 91 HA SER 91 5.596 -6.243 -30.392 692 1HB SER 91 2HB SER 91 2.754 -5.682 -31.278 693 2HB SER 91 1HB SER 91 3.294 -7.280 -30.770 694 HG SER 91 HG SER 91 3.588 -4.914 -29.226 695 H ASP 92 HN ASP 92 6.067 -8.072 -31.686 696 HA ASP 92 HA ASP 92 6.692 -7.693 -34.448 697 1HB ASP 92 2HB ASP 92 7.696 -9.380 -32.948 698 2HB ASP 92 1HB ASP 92 6.142 -10.209 -32.835 699 H GLU 93 HN GLU 93 3.866 -9.050 -32.807 700 HA GLU 93 HA GLU 93 1.664 -9.574 -33.662 701 1HB GLU 93 2HB GLU 93 2.803 -7.431 -35.458 702 2HB GLU 93 1HB GLU 93 1.167 -8.048 -35.696 703 1HG GLU 93 2HG GLU 93 2.232 -6.876 -33.109 704 2HG GLU 93 1HG GLU 93 1.189 -6.028 -34.252 705 H ILE 94 HN ILE 94 3.509 -11.506 -34.313 706 HA ILE 94 HA ILE 94 3.613 -12.217 -37.108 707 HB ILE 94 HB ILE 94 3.598 -13.776 -34.503 708 1HG1 ILE 94 2HG1 ILE 94 5.910 -13.391 -36.407 709 2HG1 ILE 94 1HG1 ILE 94 5.518 -12.159 -35.205 710 1HG2 ILE 94 1HG2 ILE 94 2.789 -15.104 -36.511 711 2HG2 ILE 94 2HG2 ILE 94 4.242 -15.735 -35.736 712 3HG2 ILE 94 3HG2 ILE 94 4.370 -14.821 -37.238 713 1HD1 ILE 94 1HD1 ILE 94 7.070 -13.527 -34.084 714 2HD1 ILE 94 2HD1 ILE 94 6.396 -15.007 -34.765 715 3HD1 ILE 94 3HD1 ILE 94 5.516 -14.132 -33.512 716 H GLY 95 HN GLY 95 1.289 -12.929 -34.491 717 1HA GLY 95 2HA GLY 95 -1.041 -13.275 -34.677 718 2HA GLY 95 1HA GLY 95 -0.896 -13.059 -36.422 719 H GLY 96 HN GLY 96 -0.432 -14.885 -37.726 720 1HA GLY 96 2HA GLY 96 0.141 -17.490 -36.606 721 2HA GLY 96 1HA GLY 96 -1.567 -17.335 -37.024 722 H HIS 97 HN HIS 97 -0.174 -19.211 -38.407 723 HA HIS 97 HA HIS 97 0.616 -17.945 -40.998 724 1HB HIS 97 2HB HIS 97 1.018 -20.696 -39.781 725 2HB HIS 97 1HB HIS 97 1.582 -20.238 -41.387 726 HD1 HIS 97 HD1 HIS 97 3.573 -18.587 -41.539 727 HD2 HIS 97 HD2 HIS 97 2.464 -19.502 -37.625 728 HE1 HIS 97 HE1 HIS 97 5.421 -17.707 -40.047 729 1H MET 1 1HT MET 1 0.675 -0.371 -28.270 730 2H MET 1 2HT MET 1 1.169 0.569 -29.597 731 3H MET 1 3HT MET 1 -0.056 -0.593 -29.784 732 HA MET 1 HA MET 1 -0.195 2.079 -28.580 733 1HB MET 1 2HB MET 1 -1.832 0.274 -30.377 734 2HB MET 1 1HB MET 1 -2.423 1.837 -29.810 735 1HG MET 1 2HG MET 1 0.134 1.387 -31.379 736 2HG MET 1 1HG MET 1 -1.365 2.052 -32.029 737 1HE MET 1 1HE MET 1 -1.916 5.331 -30.323 738 2HE MET 1 2HE MET 1 -2.290 3.923 -29.332 739 3HE MET 1 3HE MET 1 -2.598 3.878 -31.066 740 H PHE 2 HN PHE 2 -0.791 2.139 -26.457 741 HA PHE 2 HA PHE 2 -3.278 0.945 -25.618 742 1HB PHE 2 2HB PHE 2 -2.348 -0.560 -23.917 743 2HB PHE 2 1HB PHE 2 -1.721 -1.019 -25.501 744 HD1 PHE 2 HD1 PHE 2 -0.896 1.174 -22.565 745 HD2 PHE 2 HD2 PHE 2 0.601 -1.242 -25.792 746 HE1 PHE 2 HE1 PHE 2 1.420 1.520 -21.751 747 HE2 PHE 2 HE2 PHE 2 2.915 -0.891 -24.970 748 HZ PHE 2 HZ PHE 2 3.326 0.491 -22.955 749 H THR 3 HN THR 3 -3.863 1.816 -23.481 750 HA THR 3 HA THR 3 -1.895 3.504 -22.108 751 HB THR 3 HB THR 3 -3.407 5.509 -22.397 752 HG1 THR 3 HG1 THR 3 -4.619 3.774 -24.284 753 1HG2 THR 3 1HG2 THR 3 -2.603 6.055 -24.593 754 2HG2 THR 3 2HG2 THR 3 -2.474 4.351 -25.040 755 3HG2 THR 3 3HG2 THR 3 -1.380 5.035 -23.837 756 H GLY 4 HN GLY 4 -5.265 2.450 -22.464 757 1HA GLY 4 2HA GLY 4 -6.966 2.202 -20.871 758 2HA GLY 4 1HA GLY 4 -5.698 1.498 -19.863 759 H ILE 5 HN ILE 5 -5.357 4.766 -21.027 760 HA ILE 5 HA ILE 5 -5.202 5.755 -18.273 761 HB ILE 5 HB ILE 5 -5.157 7.150 -20.972 762 1HG1 ILE 5 2HG1 ILE 5 -2.865 6.362 -19.149 763 2HG1 ILE 5 1HG1 ILE 5 -3.377 5.407 -20.539 764 1HG2 ILE 5 1HG2 ILE 5 -3.980 8.184 -18.392 765 2HG2 ILE 5 2HG2 ILE 5 -5.661 8.518 -18.819 766 3HG2 ILE 5 3HG2 ILE 5 -4.357 9.076 -19.868 767 1HD1 ILE 5 1HD1 ILE 5 -3.146 7.715 -21.812 768 2HD1 ILE 5 2HD1 ILE 5 -1.721 6.720 -21.509 769 3HD1 ILE 5 3HD1 ILE 5 -2.069 8.102 -20.469 770 H VAL 6 HN VAL 6 -6.791 6.812 -17.150 771 HA VAL 6 HA VAL 6 -9.489 6.605 -18.271 772 HB VAL 6 HB VAL 6 -8.127 6.797 -15.643 773 1HG1 VAL 6 1HG1 VAL 6 -10.100 7.476 -14.415 774 2HG1 VAL 6 2HG1 VAL 6 -11.040 7.594 -15.901 775 3HG1 VAL 6 3HG1 VAL 6 -9.736 8.738 -15.590 776 1HG2 VAL 6 1HG2 VAL 6 -10.389 5.264 -16.912 777 2HG2 VAL 6 2HG2 VAL 6 -10.080 5.167 -15.180 778 3HG2 VAL 6 3HG2 VAL 6 -8.842 4.652 -16.325 779 H GLN 7 HN GLN 7 -10.834 8.261 -18.776 780 HA GLN 7 HA GLN 7 -9.783 10.908 -19.241 781 1HB GLN 7 2HB GLN 7 -12.525 9.629 -19.316 782 2HB GLN 7 1HB GLN 7 -12.231 11.289 -19.834 783 1HG GLN 7 2HG GLN 7 -10.685 10.555 -21.541 784 2HG GLN 7 1HG GLN 7 -10.740 8.897 -20.943 785 1HE2 GLN 7 1HE2 GLN 7 -11.480 9.692 -23.659 786 2HE2 GLN 7 2HE2 GLN 7 -13.128 9.330 -23.852 787 H GLY 8 HN GLY 8 -11.777 9.483 -16.651 788 1HA GLY 8 2HA GLY 8 -11.567 12.052 -15.156 789 2HA GLY 8 1HA GLY 8 -13.178 11.456 -15.554 790 H THR 9 HN THR 9 -12.669 11.750 -12.907 791 HA THR 9 HA THR 9 -11.969 8.994 -11.955 792 HB THR 9 HB THR 9 -11.476 10.398 -9.806 793 HG1 THR 9 HG1 THR 9 -10.716 12.551 -10.796 794 1HG2 THR 9 1HG2 THR 9 -9.886 9.351 -11.625 795 2HG2 THR 9 2HG2 THR 9 -9.243 10.497 -10.449 796 3HG2 THR 9 3HG2 THR 9 -9.631 11.035 -12.083 797 H ALA 10 HN ALA 10 -12.987 8.541 -9.743 798 HA ALA 10 HA ALA 10 -15.785 9.597 -9.507 799 1HB ALA 10 1HB ALA 10 -16.483 7.683 -10.509 800 2HB ALA 10 2HB ALA 10 -15.858 6.810 -9.111 801 3HB ALA 10 3HB ALA 10 -14.841 7.034 -10.537 802 H LYS 11 HN LYS 11 -16.603 9.371 -7.354 803 HA LYS 11 HA LYS 11 -14.505 8.650 -5.332 804 1HB LYS 11 2HB LYS 11 -15.229 10.971 -5.298 805 2HB LYS 11 1HB LYS 11 -16.916 10.475 -5.251 806 1HG LYS 11 2HG LYS 11 -16.579 9.397 -3.081 807 2HG LYS 11 1HG LYS 11 -14.866 9.810 -3.124 808 1HD LYS 11 2HD LYS 11 -15.241 11.961 -2.514 809 2HD LYS 11 1HD LYS 11 -16.677 12.100 -3.532 810 1HE LYS 11 2HE LYS 11 -17.947 10.729 -1.848 811 2HE LYS 11 1HE LYS 11 -16.517 10.783 -0.796 812 1HZ LYS 11 1HZ LYS 11 -17.675 13.238 -1.975 813 2HZ LYS 11 2HZ LYS 11 -16.612 13.100 -0.657 814 3HZ LYS 11 3HZ LYS 11 -18.234 12.623 -0.498 815 H LEU 12 HN LEU 12 -14.900 6.638 -4.488 816 HA LEU 12 HA LEU 12 -17.424 5.258 -4.506 817 1HB LEU 12 2HB LEU 12 -14.886 4.575 -3.994 818 2HB LEU 12 1HB LEU 12 -15.375 4.899 -2.351 819 HG LEU 12 HG LEU 12 -17.171 3.274 -2.500 820 1HD1 LEU 12 1HD1 LEU 12 -18.042 3.385 -4.657 821 2HD1 LEU 12 2HD1 LEU 12 -17.122 1.882 -4.749 822 3HD1 LEU 12 3HD1 LEU 12 -16.447 3.371 -5.410 823 1HD2 LEU 12 1HD2 LEU 12 -15.509 1.843 -1.933 824 2HD2 LEU 12 2HD2 LEU 12 -14.379 2.596 -3.059 825 3HD2 LEU 12 3HD2 LEU 12 -15.496 1.354 -3.626 826 H VAL 13 HN VAL 13 -19.177 5.656 -3.269 827 HA VAL 13 HA VAL 13 -18.795 7.255 -0.760 828 HB VAL 13 HB VAL 13 -19.890 8.637 -2.316 829 1HG1 VAL 13 1HG1 VAL 13 -20.949 6.094 -3.332 830 2HG1 VAL 13 2HG1 VAL 13 -20.548 7.580 -4.200 831 3HG1 VAL 13 3HG1 VAL 13 -22.100 7.430 -3.369 832 1HG2 VAL 13 1HG2 VAL 13 -22.288 8.700 -1.551 833 2HG2 VAL 13 2HG2 VAL 13 -21.119 8.634 -0.231 834 3HG2 VAL 13 3HG2 VAL 13 -21.997 7.180 -0.706 835 H SER 14 HN SER 14 -20.379 4.575 -2.361 836 HA SER 14 HA SER 14 -21.076 3.457 0.310 837 1HB SER 14 2HB SER 14 -22.876 4.822 -1.448 838 2HB SER 14 1HB SER 14 -23.349 3.128 -1.370 839 HG SER 14 HG SER 14 -22.829 4.827 0.851 840 H ILE 15 HN ILE 15 -21.274 1.196 0.304 841 HA ILE 15 HA ILE 15 -20.775 -0.181 -2.318 842 HB ILE 15 HB ILE 15 -20.365 -1.282 0.473 843 1HG1 ILE 15 2HG1 ILE 15 -18.433 0.193 -1.334 844 2HG1 ILE 15 1HG1 ILE 15 -18.983 0.687 0.262 845 1HG2 ILE 15 1HG2 ILE 15 -18.635 -2.616 -1.022 846 2HG2 ILE 15 2HG2 ILE 15 -19.704 -2.116 -2.332 847 3HG2 ILE 15 3HG2 ILE 15 -20.337 -3.084 -1.001 848 1HD1 ILE 15 1HD1 ILE 15 -18.014 -1.863 0.719 849 2HD1 ILE 15 2HD1 ILE 15 -17.142 -0.368 1.053 850 3HD1 ILE 15 3HD1 ILE 15 -16.879 -1.219 -0.468 851 H ASP 16 HN ASP 16 -22.290 -1.667 -2.975 852 HA ASP 16 HA ASP 16 -24.580 -2.220 -1.123 853 1HB ASP 16 2HB ASP 16 -24.273 -1.970 -4.107 854 2HB ASP 16 1HB ASP 16 -25.642 -2.847 -3.424 855 H GLU 17 HN GLU 17 -24.295 -4.219 -0.206 856 HA GLU 17 HA GLU 17 -22.729 -6.267 -1.690 857 1HB GLU 17 2HB GLU 17 -22.224 -5.516 0.671 858 2HB GLU 17 1HB GLU 17 -23.761 -6.226 1.164 859 1HG GLU 17 2HG GLU 17 -23.021 -8.426 0.339 860 2HG GLU 17 1HG GLU 17 -21.485 -7.723 -0.168 861 H LYS 18 HN LYS 18 -23.992 -7.581 -2.960 862 HA LYS 18 HA LYS 18 -26.595 -8.552 -1.820 863 1HB LYS 18 2HB LYS 18 -25.814 -8.765 -4.723 864 2HB LYS 18 1HB LYS 18 -27.423 -8.640 -4.019 865 1HG LYS 18 2HG LYS 18 -26.196 -6.276 -3.226 866 2HG LYS 18 1HG LYS 18 -25.603 -6.515 -4.870 867 1HD LYS 18 2HD LYS 18 -28.519 -6.933 -4.320 868 2HD LYS 18 1HD LYS 18 -27.909 -5.282 -4.442 869 1HE LYS 18 2HE LYS 18 -27.494 -5.463 -6.693 870 2HE LYS 18 1HE LYS 18 -27.008 -7.164 -6.567 871 1HZ LYS 18 1HZ LYS 18 -29.689 -6.012 -6.795 872 2HZ LYS 18 2HZ LYS 18 -29.511 -7.402 -5.833 873 3HZ LYS 18 3HZ LYS 18 -29.065 -7.436 -7.472 874 HA PRO 19 HA PRO 19 -24.543 -12.395 -1.171 875 1HB PRO 19 2HB PRO 19 -26.847 -13.957 -1.682 876 2HB PRO 19 1HB PRO 19 -26.314 -13.351 -0.104 877 1HG PRO 19 2HG PRO 19 -28.358 -12.264 -1.956 878 2HG PRO 19 1HG PRO 19 -28.302 -12.231 -0.186 879 1HD PRO 19 2HD PRO 19 -27.787 -10.041 -1.642 880 2HD PRO 19 1HD PRO 19 -26.906 -10.380 -0.132 881 H ASN 20 HN ASN 20 -26.733 -12.028 -3.962 882 HA ASN 20 HA ASN 20 -25.529 -14.147 -5.537 883 1HB ASN 20 2HB ASN 20 -26.970 -11.685 -6.547 884 2HB ASN 20 1HB ASN 20 -26.971 -13.307 -7.241 885 1HD2 ASN 20 1HD2 ASN 20 -28.676 -11.204 -5.157 886 2HD2 ASN 20 2HD2 ASN 20 -29.709 -12.351 -4.458 887 H PHE 21 HN PHE 21 -25.066 -10.626 -5.323 888 HA PHE 21 HA PHE 21 -22.440 -10.886 -6.705 889 1HB PHE 21 2HB PHE 21 -24.780 -9.191 -7.636 890 2HB PHE 21 1HB PHE 21 -23.168 -9.173 -8.353 891 HD1 PHE 21 HD1 PHE 21 -26.351 -10.911 -8.161 892 HD2 PHE 21 HD2 PHE 21 -22.252 -11.276 -9.404 893 HE1 PHE 21 HE1 PHE 21 -26.953 -12.863 -9.572 894 HE2 PHE 21 HE2 PHE 21 -22.853 -13.228 -10.815 895 HZ PHE 21 HZ PHE 21 -25.203 -14.022 -10.898 896 H ARG 22 HN ARG 22 -21.050 -9.075 -6.291 897 HA ARG 22 HA ARG 22 -21.911 -7.333 -4.049 898 1HB ARG 22 2HB ARG 22 -19.730 -8.526 -4.002 899 2HB ARG 22 1HB ARG 22 -19.244 -7.642 -5.447 900 1HG ARG 22 2HG ARG 22 -19.346 -5.535 -4.290 901 2HG ARG 22 1HG ARG 22 -20.092 -6.286 -2.880 902 1HD ARG 22 2HD ARG 22 -18.061 -7.544 -2.401 903 2HD ARG 22 1HD ARG 22 -17.308 -6.959 -3.899 904 HE ARG 22 HE ARG 22 -18.022 -4.620 -2.668 905 1HH1 ARG 22 1HH1 ARG 22 -16.369 -7.468 -1.615 906 2HH1 ARG 22 2HH1 ARG 22 -15.402 -6.629 -0.450 907 1HH2 ARG 22 1HH2 ARG 22 -16.762 -3.520 -1.153 908 2HH2 ARG 22 2HH2 ARG 22 -15.624 -4.399 -0.188 909 H THR 23 HN THR 23 -22.098 -5.133 -4.260 910 HA THR 23 HA THR 23 -21.956 -4.021 -7.043 911 HB THR 23 HB THR 23 -24.020 -3.642 -4.846 912 HG1 THR 23 HG1 THR 23 -23.807 -5.641 -6.303 913 1HG2 THR 23 1HG2 THR 23 -25.142 -2.694 -7.145 914 2HG2 THR 23 2HG2 THR 23 -23.459 -2.225 -7.380 915 3HG2 THR 23 3HG2 THR 23 -24.336 -1.676 -5.952 916 H HIS 24 HN HIS 24 -21.098 -1.927 -7.180 917 HA HIS 24 HA HIS 24 -20.429 -0.586 -4.585 918 1HB HIS 24 2HB HIS 24 -18.768 -1.713 -6.697 919 2HB HIS 24 1HB HIS 24 -18.384 -0.020 -6.377 920 HD1 HIS 24 HD1 HIS 24 -17.125 -3.060 -5.345 921 HD2 HIS 24 HD2 HIS 24 -18.698 0.128 -3.172 922 HE1 HIS 24 HE1 HIS 24 -16.277 -3.321 -2.970 923 H VAL 25 HN VAL 25 -20.779 1.625 -4.568 924 HA VAL 25 HA VAL 25 -21.602 2.859 -7.173 925 HB VAL 25 HB VAL 25 -22.498 3.650 -4.409 926 1HG1 VAL 25 1HG1 VAL 25 -24.112 4.925 -5.480 927 2HG1 VAL 25 2HG1 VAL 25 -24.118 3.898 -6.913 928 3HG1 VAL 25 3HG1 VAL 25 -22.793 5.031 -6.646 929 1HG2 VAL 25 1HG2 VAL 25 -23.059 1.195 -5.759 930 2HG2 VAL 25 2HG2 VAL 25 -24.522 2.179 -5.802 931 3HG2 VAL 25 3HG2 VAL 25 -23.765 1.792 -4.257 932 H VAL 26 HN VAL 26 -20.515 4.640 -7.776 933 HA VAL 26 HA VAL 26 -18.688 5.941 -5.790 934 HB VAL 26 HB VAL 26 -17.364 6.518 -7.784 935 1HG1 VAL 26 1HG1 VAL 26 -17.634 3.828 -8.649 936 2HG1 VAL 26 2HG1 VAL 26 -17.962 3.841 -6.918 937 3HG1 VAL 26 3HG1 VAL 26 -16.437 4.479 -7.532 938 1HG2 VAL 26 1HG2 VAL 26 -19.351 6.806 -9.288 939 2HG2 VAL 26 2HG2 VAL 26 -19.506 5.051 -9.352 940 3HG2 VAL 26 3HG2 VAL 26 -18.070 5.834 -10.012 941 H GLU 27 HN GLU 27 -18.278 8.340 -6.531 942 HA GLU 27 HA GLU 27 -20.917 9.649 -7.042 943 1HB GLU 27 2HB GLU 27 -19.185 9.860 -4.976 944 2HB GLU 27 1HB GLU 27 -18.488 11.048 -6.070 945 1HG GLU 27 2HG GLU 27 -20.393 12.406 -6.028 946 2HG GLU 27 1HG GLU 27 -21.435 11.090 -5.493 947 H LEU 28 HN LEU 28 -21.073 10.307 -9.140 948 HA LEU 28 HA LEU 28 -18.739 10.423 -10.852 949 1HB LEU 28 2HB LEU 28 -21.280 9.750 -11.199 950 2HB LEU 28 1HB LEU 28 -21.455 11.456 -11.595 951 HG LEU 28 HG LEU 28 -19.806 11.278 -13.365 952 1HD1 LEU 28 1HD1 LEU 28 -18.138 9.781 -13.084 953 2HD1 LEU 28 2HD1 LEU 28 -19.274 8.532 -13.590 954 3HD1 LEU 28 3HD1 LEU 28 -19.064 8.890 -11.876 955 1HD2 LEU 28 1HD2 LEU 28 -21.932 9.139 -13.295 956 2HD2 LEU 28 2HD2 LEU 28 -20.885 9.325 -14.703 957 3HD2 LEU 28 3HD2 LEU 28 -21.926 10.654 -14.197 958 HA PRO 29 HA PRO 29 -17.823 14.684 -9.971 959 1HB PRO 29 2HB PRO 29 -16.100 15.023 -12.099 960 2HB PRO 29 1HB PRO 29 -15.638 14.342 -10.532 961 1HG PRO 29 2HG PRO 29 -16.237 12.964 -13.089 962 2HG PRO 29 1HG PRO 29 -15.077 12.543 -11.819 963 1HD PRO 29 2HD PRO 29 -17.443 11.260 -12.152 964 2HD PRO 29 1HD PRO 29 -16.642 11.426 -10.576 965 H ASP 30 HN ASP 30 -17.788 16.770 -11.362 966 HA ASP 30 HA ASP 30 -20.321 17.109 -12.563 967 1HB ASP 30 2HB ASP 30 -19.415 19.312 -13.179 968 2HB ASP 30 1HB ASP 30 -18.871 18.862 -11.562 969 H HIS 31 HN HIS 31 -17.154 16.477 -14.098 970 HA HIS 31 HA HIS 31 -18.360 16.761 -16.769 971 1HB HIS 31 2HB HIS 31 -16.074 16.578 -17.529 972 2HB HIS 31 1HB HIS 31 -16.089 17.614 -16.109 973 HD1 HIS 31 HD1 HIS 31 -16.503 14.719 -14.378 974 HD2 HIS 31 HD2 HIS 31 -13.321 16.047 -16.711 975 HE1 HIS 31 HE1 HIS 31 -14.463 13.421 -13.616 976 H MET 32 HN MET 32 -18.330 14.296 -14.566 977 HA MET 32 HA MET 32 -18.448 12.236 -16.745 978 1HB MET 32 2HB MET 32 -17.867 12.068 -13.779 979 2HB MET 32 1HB MET 32 -18.247 10.643 -14.746 980 1HG MET 32 2HG MET 32 -15.968 12.572 -15.276 981 2HG MET 32 1HG MET 32 -15.808 10.959 -14.578 982 1HE MET 32 1HE MET 32 -17.691 8.896 -17.128 983 2HE MET 32 2HE MET 32 -17.251 9.199 -15.449 984 3HE MET 32 3HE MET 32 -16.064 8.507 -16.553 985 H LEU 33 HN LEU 33 -20.221 14.128 -14.529 986 HA LEU 33 HA LEU 33 -22.460 12.423 -13.952 987 1HB LEU 33 2HB LEU 33 -21.861 15.360 -14.071 988 2HB LEU 33 1HB LEU 33 -23.539 14.847 -13.890 989 HG LEU 33 HG LEU 33 -21.328 13.790 -12.111 990 1HD1 LEU 33 1HD1 LEU 33 -21.232 15.858 -11.195 991 2HD1 LEU 33 2HD1 LEU 33 -22.870 15.558 -10.614 992 3HD1 LEU 33 3HD1 LEU 33 -22.617 16.417 -12.134 993 1HD2 LEU 33 1HD2 LEU 33 -24.167 14.064 -11.276 994 2HD2 LEU 33 2HD2 LEU 33 -23.018 12.765 -10.952 995 3HD2 LEU 33 3HD2 LEU 33 -23.831 12.855 -12.514 996 H ASP 34 HN ASP 34 -21.573 14.380 -16.745 997 HA ASP 34 HA ASP 34 -24.229 14.035 -17.994 998 1HB ASP 34 2HB ASP 34 -22.695 16.121 -17.930 999 2HB ASP 34 1HB ASP 34 -21.751 15.295 -19.170 1000 H GLY 35 HN GLY 35 -24.624 12.673 -19.742 1001 1HA GLY 35 2HA GLY 35 -23.984 11.447 -21.706 1002 2HA GLY 35 1HA GLY 35 -22.317 11.446 -21.133 1003 H LEU 36 HN LEU 36 -22.755 10.423 -18.514 1004 HA LEU 36 HA LEU 36 -22.793 7.613 -19.176 1005 1HB LEU 36 2HB LEU 36 -21.388 8.811 -17.457 1006 2HB LEU 36 1HB LEU 36 -22.838 8.957 -16.461 1007 HG LEU 36 HG LEU 36 -22.055 6.263 -17.528 1008 1HD1 LEU 36 1HD1 LEU 36 -20.062 7.426 -16.390 1009 2HD1 LEU 36 2HD1 LEU 36 -20.546 5.862 -15.737 1010 3HD1 LEU 36 3HD1 LEU 36 -21.013 7.346 -14.907 1011 1HD2 LEU 36 1HD2 LEU 36 -22.955 6.222 -14.847 1012 2HD2 LEU 36 2HD2 LEU 36 -23.860 5.741 -16.281 1013 3HD2 LEU 36 3HD2 LEU 36 -23.971 7.397 -15.682 1014 H GLU 37 HN GLU 37 -24.277 6.013 -18.502 1015 HA GLU 37 HA GLU 37 -26.733 6.804 -17.056 1016 1HB GLU 37 2HB GLU 37 -28.172 6.010 -18.885 1017 2HB GLU 37 1HB GLU 37 -27.114 7.292 -19.475 1018 1HG GLU 37 2HG GLU 37 -25.543 5.559 -20.333 1019 2HG GLU 37 1HG GLU 37 -26.677 4.311 -19.817 1020 H THR 38 HN THR 38 -28.090 4.739 -16.655 1021 HA THR 38 HA THR 38 -26.472 2.645 -15.572 1022 HB THR 38 HB THR 38 -28.969 1.571 -16.038 1023 HG1 THR 38 HG1 THR 38 -30.168 3.657 -15.410 1024 1HG2 THR 38 1HG2 THR 38 -27.601 2.994 -13.868 1025 2HG2 THR 38 2HG2 THR 38 -28.504 1.480 -13.828 1026 3HG2 THR 38 3HG2 THR 38 -29.360 3.019 -13.750 1027 H GLY 39 HN GLY 39 -26.122 0.477 -16.393 1028 1HA GLY 39 2HA GLY 39 -25.963 -1.214 -18.039 1029 2HA GLY 39 1HA GLY 39 -26.978 -0.238 -19.097 1030 H ALA 40 HN ALA 40 -24.763 1.910 -18.112 1031 HA ALA 40 HA ALA 40 -23.211 1.820 -20.572 1032 1HB ALA 40 1HB ALA 40 -23.287 3.409 -18.012 1033 2HB ALA 40 2HB ALA 40 -23.630 3.953 -19.657 1034 3HB ALA 40 3HB ALA 40 -21.966 3.648 -19.156 1035 H SER 41 HN SER 41 -20.863 1.445 -20.637 1036 HA SER 41 HA SER 41 -19.938 -0.436 -18.516 1037 1HB SER 41 2HB SER 41 -18.051 -0.481 -20.460 1038 2HB SER 41 1HB SER 41 -19.499 -1.478 -20.504 1039 HG SER 41 HG SER 41 -20.382 -0.163 -21.956 1040 H VAL 42 HN VAL 42 -19.041 0.783 -16.878 1041 HA VAL 42 HA VAL 42 -17.242 3.054 -17.555 1042 HB VAL 42 HB VAL 42 -18.721 2.024 -15.163 1043 1HG1 VAL 42 1HG1 VAL 42 -16.884 2.189 -13.852 1044 2HG1 VAL 42 2HG1 VAL 42 -17.138 3.927 -14.018 1045 3HG1 VAL 42 3HG1 VAL 42 -15.982 3.099 -15.062 1046 1HG2 VAL 42 1HG2 VAL 42 -19.748 4.013 -15.394 1047 2HG2 VAL 42 2HG2 VAL 42 -18.807 4.255 -16.868 1048 3HG2 VAL 42 3HG2 VAL 42 -18.199 4.854 -15.323 1049 H ALA 43 HN ALA 43 -15.062 2.734 -17.596 1050 HA ALA 43 HA ALA 43 -13.960 0.151 -16.605 1051 1HB ALA 43 1HB ALA 43 -12.111 0.661 -17.978 1052 2HB ALA 43 2HB ALA 43 -12.449 2.392 -17.943 1053 3HB ALA 43 3HB ALA 43 -13.471 1.312 -18.892 1054 H HIS 44 HN HIS 44 -13.258 0.171 -14.513 1055 HA HIS 44 HA HIS 44 -12.636 2.753 -13.194 1056 1HB HIS 44 2HB HIS 44 -13.247 -0.068 -12.413 1057 2HB HIS 44 1HB HIS 44 -12.280 0.891 -11.292 1058 HD1 HIS 44 HD1 HIS 44 -15.058 2.325 -13.456 1059 HD2 HIS 44 HD2 HIS 44 -14.311 1.432 -9.443 1060 HE1 HIS 44 HE1 HIS 44 -16.965 3.330 -12.123 1061 HE2 HIS 44 HE2 HIS 44 -16.519 2.783 -9.692 1062 H ASN 45 HN ASN 45 -10.634 3.407 -13.800 1063 HA ASN 45 HA ASN 45 -8.335 3.398 -14.240 1064 1HB ASN 45 2HB ASN 45 -8.670 2.156 -11.854 1065 2HB ASN 45 1HB ASN 45 -7.914 0.854 -12.778 1066 1HD2 ASN 45 1HD2 ASN 45 -7.346 3.938 -11.255 1067 2HD2 ASN 45 2HD2 ASN 45 -5.720 4.093 -11.695 1068 H GLY 46 HN GLY 46 -10.462 1.454 -15.616 1069 1HA GLY 46 2HA GLY 46 -9.790 0.837 -17.918 1070 2HA GLY 46 1HA GLY 46 -8.347 0.099 -17.229 1071 H CYS 47 HN CYS 47 -10.688 -0.756 -15.074 1072 HA CYS 47 HA CYS 47 -11.083 -3.383 -16.412 1073 1HB CYS 47 2HB CYS 47 -10.343 -3.092 -14.000 1074 2HB CYS 47 1HB CYS 47 -11.946 -2.446 -13.653 1075 HG CYS 47 HG CYS 47 -11.718 -5.292 -14.905 1076 H CYS 48 HN CYS 48 -12.801 -3.374 -17.823 1077 HA CYS 48 HA CYS 48 -14.869 -1.387 -17.701 1078 1HB CYS 48 2HB CYS 48 -15.783 -2.749 -19.609 1079 2HB CYS 48 1HB CYS 48 -14.070 -2.357 -19.782 1080 HG CYS 48 HG CYS 48 -15.053 -5.106 -19.851 1081 H LEU 49 HN LEU 49 -16.755 -1.423 -16.591 1082 HA LEU 49 HA LEU 49 -18.073 -4.025 -16.061 1083 1HB LEU 49 2HB LEU 49 -18.473 -3.192 -13.676 1084 2HB LEU 49 1HB LEU 49 -16.812 -3.654 -14.049 1085 HG LEU 49 HG LEU 49 -17.456 -0.836 -14.647 1086 1HD1 LEU 49 1HD1 LEU 49 -18.373 -0.304 -12.661 1087 2HD1 LEU 49 2HD1 LEU 49 -16.905 -0.871 -11.864 1088 3HD1 LEU 49 3HD1 LEU 49 -18.254 -1.980 -12.127 1089 1HD2 LEU 49 1HD2 LEU 49 -15.198 -2.448 -14.198 1090 2HD2 LEU 49 2HD2 LEU 49 -15.286 -1.393 -12.788 1091 3HD2 LEU 49 3HD2 LEU 49 -15.211 -0.696 -14.406 1092 H THR 50 HN THR 50 -20.407 -3.698 -15.550 1093 HA THR 50 HA THR 50 -21.384 -1.327 -17.050 1094 HB THR 50 HB THR 50 -22.964 -3.753 -16.194 1095 HG1 THR 50 HG1 THR 50 -21.665 -3.690 -18.653 1096 1HG2 THR 50 1HG2 THR 50 -24.173 -1.879 -17.251 1097 2HG2 THR 50 2HG2 THR 50 -24.151 -3.288 -18.311 1098 3HG2 THR 50 3HG2 THR 50 -23.064 -1.934 -18.621 1099 H VAL 51 HN VAL 51 -23.137 -0.048 -16.289 1100 HA VAL 51 HA VAL 51 -23.125 0.420 -13.419 1101 HB VAL 51 HB VAL 51 -24.934 1.575 -15.567 1102 1HG1 VAL 51 1HG1 VAL 51 -24.454 3.604 -13.945 1103 2HG1 VAL 51 2HG1 VAL 51 -24.117 2.315 -12.789 1104 3HG1 VAL 51 3HG1 VAL 51 -25.700 2.418 -13.557 1105 1HG2 VAL 51 1HG2 VAL 51 -23.061 3.379 -15.557 1106 2HG2 VAL 51 2HG2 VAL 51 -22.791 1.897 -16.475 1107 3HG2 VAL 51 3HG2 VAL 51 -22.045 2.101 -14.889 1108 H THR 52 HN THR 52 -24.365 -0.753 -12.029 1109 HA THR 52 HA THR 52 -26.713 -2.283 -12.840 1110 HB THR 52 HB THR 52 -26.813 -2.764 -10.450 1111 HG1 THR 52 HG1 THR 52 -26.012 -1.430 -9.023 1112 1HG2 THR 52 1HG2 THR 52 -23.938 -2.497 -11.366 1113 2HG2 THR 52 2HG2 THR 52 -25.012 -3.840 -11.757 1114 3HG2 THR 52 3HG2 THR 52 -24.522 -3.562 -10.086 1115 H GLU 53 HN GLU 53 -26.122 0.819 -11.178 1116 HA GLU 53 HA GLU 53 -28.793 1.799 -11.917 1117 1HB GLU 53 2HB GLU 53 -29.218 0.288 -10.009 1118 2HB GLU 53 1HB GLU 53 -28.028 1.163 -9.046 1119 1HG GLU 53 2HG GLU 53 -29.379 3.221 -9.243 1120 2HG GLU 53 1HG GLU 53 -30.571 2.344 -10.203 1121 H ILE 54 HN ILE 54 -28.990 4.083 -11.465 1122 HA ILE 54 HA ILE 54 -26.421 5.420 -10.648 1123 HB ILE 54 HB ILE 54 -28.764 6.273 -12.388 1124 1HG1 ILE 54 2HG1 ILE 54 -25.996 6.324 -13.398 1125 2HG1 ILE 54 1HG1 ILE 54 -26.594 4.713 -13.008 1126 1HG2 ILE 54 1HG2 ILE 54 -26.756 8.126 -12.745 1127 2HG2 ILE 54 2HG2 ILE 54 -26.673 7.818 -11.011 1128 3HG2 ILE 54 3HG2 ILE 54 -28.182 8.368 -11.737 1129 1HD1 ILE 54 1HD1 ILE 54 -27.078 6.050 -15.376 1130 2HD1 ILE 54 2HD1 ILE 54 -28.549 6.363 -14.455 1131 3HD1 ILE 54 3HD1 ILE 54 -28.039 4.701 -14.764 1132 H ASN 55 HN ASN 55 -26.461 6.539 -8.793 1133 HA ASN 55 HA ASN 55 -29.090 6.965 -7.435 1134 1HB ASN 55 2HB ASN 55 -26.230 6.570 -6.632 1135 2HB ASN 55 1HB ASN 55 -27.287 7.460 -5.535 1136 1HD2 ASN 55 1HD2 ASN 55 -27.145 4.363 -7.371 1137 2HD2 ASN 55 2HD2 ASN 55 -28.059 3.481 -6.244 1138 H GLY 56 HN GLY 56 -29.064 8.791 -9.283 1139 1HA GLY 56 2HA GLY 56 -29.149 11.150 -9.558 1140 2HA GLY 56 1HA GLY 56 -28.407 11.332 -7.965 1141 H ASN 57 HN ASN 57 -26.312 12.006 -7.979 1142 HA ASN 57 HA ASN 57 -24.780 12.012 -10.480 1143 1HB ASN 57 2HB ASN 57 -23.653 13.663 -9.397 1144 2HB ASN 57 1HB ASN 57 -24.890 13.520 -8.169 1145 1HD2 ASN 57 1HD2 ASN 57 -21.840 11.963 -9.112 1146 2HD2 ASN 57 2HD2 ASN 57 -21.275 11.692 -7.535 1147 H HIS 58 HN HIS 58 -25.178 9.994 -7.690 1148 HA HIS 58 HA HIS 58 -22.626 8.630 -7.797 1149 1HB HIS 58 2HB HIS 58 -25.325 8.197 -6.551 1150 2HB HIS 58 1HB HIS 58 -24.098 6.936 -6.448 1151 HD1 HIS 58 HD1 HIS 58 -25.290 9.419 -4.368 1152 HD2 HIS 58 HD2 HIS 58 -21.426 8.548 -5.684 1153 HE1 HIS 58 HE1 HIS 58 -23.703 10.474 -2.702 1154 H VAL 59 HN VAL 59 -22.344 6.371 -8.455 1155 HA VAL 59 HA VAL 59 -24.501 5.269 -10.168 1156 HB VAL 59 HB VAL 59 -21.640 5.825 -10.976 1157 1HG1 VAL 59 1HG1 VAL 59 -22.358 4.653 -13.121 1158 2HG1 VAL 59 2HG1 VAL 59 -23.731 4.042 -12.205 1159 3HG1 VAL 59 3HG1 VAL 59 -22.097 3.594 -11.734 1160 1HG2 VAL 59 1HG2 VAL 59 -23.398 6.591 -12.976 1161 2HG2 VAL 59 2HG2 VAL 59 -22.715 7.670 -11.760 1162 3HG2 VAL 59 3HG2 VAL 59 -24.306 6.948 -11.503 1163 H SER 60 HN SER 60 -24.858 3.229 -9.454 1164 HA SER 60 HA SER 60 -22.771 1.742 -7.962 1165 1HB SER 60 2HB SER 60 -25.383 1.971 -7.567 1166 2HB SER 60 1HB SER 60 -25.444 0.661 -8.741 1167 HG SER 60 HG SER 60 -23.675 -0.224 -7.265 1168 H PHE 61 HN PHE 61 -21.616 0.096 -8.884 1169 HA PHE 61 HA PHE 61 -22.539 -0.921 -11.562 1170 1HB PHE 61 2HB PHE 61 -19.959 -1.158 -11.930 1171 2HB PHE 61 1HB PHE 61 -20.700 0.430 -12.113 1172 HD1 PHE 61 HD1 PHE 61 -20.695 2.011 -10.112 1173 HD2 PHE 61 HD2 PHE 61 -18.262 -1.527 -10.300 1174 HE1 PHE 61 HE1 PHE 61 -19.236 2.920 -8.325 1175 HE2 PHE 61 HE2 PHE 61 -16.799 -0.615 -8.515 1176 HZ PHE 61 HZ PHE 61 -17.286 1.610 -7.527 1177 H ASP 62 HN ASP 62 -21.985 -3.157 -11.973 1178 HA ASP 62 HA ASP 62 -22.159 -4.704 -9.493 1179 1HB ASP 62 2HB ASP 62 -22.747 -6.512 -11.049 1180 2HB ASP 62 1HB ASP 62 -23.602 -5.041 -11.505 1181 H LEU 63 HN LEU 63 -20.843 -6.445 -8.917 1182 HA LEU 63 HA LEU 63 -18.228 -6.791 -10.272 1183 1HB LEU 63 2HB LEU 63 -18.833 -4.966 -8.121 1184 2HB LEU 63 1HB LEU 63 -17.709 -6.191 -7.552 1185 HG LEU 63 HG LEU 63 -17.069 -5.166 -10.229 1186 1HD1 LEU 63 1HD1 LEU 63 -16.658 -3.296 -7.893 1187 2HD1 LEU 63 2HD1 LEU 63 -18.075 -3.172 -8.939 1188 3HD1 LEU 63 3HD1 LEU 63 -16.455 -2.957 -9.612 1189 1HD2 LEU 63 1HD2 LEU 63 -14.896 -5.494 -9.494 1190 2HD2 LEU 63 2HD2 LEU 63 -15.731 -6.569 -8.374 1191 3HD2 LEU 63 3HD2 LEU 63 -15.258 -4.952 -7.855 1192 H MET 64 HN MET 64 -18.582 -9.062 -10.360 1193 HA MET 64 HA MET 64 -19.854 -10.608 -8.345 1194 1HB MET 64 2HB MET 64 -19.421 -11.323 -10.666 1195 2HB MET 64 1HB MET 64 -17.690 -11.353 -10.339 1196 1HG MET 64 2HG MET 64 -18.040 -13.081 -8.613 1197 2HG MET 64 1HG MET 64 -19.773 -13.053 -8.939 1198 1HE MET 64 1HE MET 64 -20.807 -14.556 -11.401 1199 2HE MET 64 2HE MET 64 -19.919 -13.691 -12.652 1200 3HE MET 64 3HE MET 64 -20.516 -12.818 -11.243 1201 H LYS 65 HN LYS 65 -19.069 -11.580 -6.470 1202 HA LYS 65 HA LYS 65 -16.912 -10.400 -5.094 1203 1HB LYS 65 2HB LYS 65 -18.817 -11.599 -4.084 1204 2HB LYS 65 1HB LYS 65 -18.214 -13.120 -4.747 1205 1HG LYS 65 2HG LYS 65 -16.152 -12.899 -3.434 1206 2HG LYS 65 1HG LYS 65 -16.712 -11.353 -2.792 1207 1HD LYS 65 2HD LYS 65 -17.229 -12.994 -1.123 1208 2HD LYS 65 1HD LYS 65 -18.755 -12.594 -1.914 1209 1HE LYS 65 2HE LYS 65 -17.389 -14.749 -3.321 1210 2HE LYS 65 1HE LYS 65 -17.690 -15.167 -1.622 1211 1HZ LYS 65 1HZ LYS 65 -19.725 -15.640 -2.529 1212 2HZ LYS 65 2HZ LYS 65 -19.607 -14.439 -3.725 1213 3HZ LYS 65 3HZ LYS 65 -19.965 -14.011 -2.120 1214 H GLU 66 HN GLU 66 -17.019 -13.516 -6.853 1215 HA GLU 66 HA GLU 66 -14.265 -14.200 -6.276 1216 1HB GLU 66 2HB GLU 66 -16.024 -15.819 -6.925 1217 2HB GLU 66 1HB GLU 66 -16.163 -15.035 -8.499 1218 1HG GLU 66 2HG GLU 66 -13.810 -15.588 -8.989 1219 2HG GLU 66 1HG GLU 66 -13.668 -16.376 -7.418 1220 H THR 67 HN THR 67 -15.893 -12.552 -8.973 1221 HA THR 67 HA THR 67 -13.565 -12.095 -10.606 1222 HB THR 67 HB THR 67 -16.076 -10.450 -10.149 1223 HG1 THR 67 HG1 THR 67 -16.044 -12.791 -10.945 1224 1HG2 THR 67 1HG2 THR 67 -14.936 -8.965 -11.433 1225 2HG2 THR 67 2HG2 THR 67 -15.321 -10.072 -12.750 1226 3HG2 THR 67 3HG2 THR 67 -13.755 -10.171 -11.945 1227 H LEU 68 HN LEU 68 -14.978 -10.414 -7.817 1228 HA LEU 68 HA LEU 68 -13.387 -8.068 -7.840 1229 1HB LEU 68 2HB LEU 68 -15.446 -8.611 -6.509 1230 2HB LEU 68 1HB LEU 68 -14.476 -9.706 -5.530 1231 HG LEU 68 HG LEU 68 -12.944 -7.656 -5.124 1232 1HD1 LEU 68 1HD1 LEU 68 -13.661 -5.963 -6.532 1233 2HD1 LEU 68 2HD1 LEU 68 -14.650 -5.594 -5.119 1234 3HD1 LEU 68 3HD1 LEU 68 -15.343 -6.486 -6.473 1235 1HD2 LEU 68 1HD2 LEU 68 -15.616 -8.332 -4.001 1236 2HD2 LEU 68 2HD2 LEU 68 -14.890 -6.813 -3.467 1237 3HD2 LEU 68 3HD2 LEU 68 -14.036 -8.337 -3.217 1238 H ARG 69 HN ARG 69 -12.875 -11.234 -6.263 1239 HA ARG 69 HA ARG 69 -10.264 -10.588 -5.172 1240 1HB ARG 69 2HB ARG 69 -11.771 -12.340 -4.315 1241 2HB ARG 69 1HB ARG 69 -11.634 -13.211 -5.844 1242 1HG ARG 69 2HG ARG 69 -9.206 -13.458 -5.489 1243 2HG ARG 69 1HG ARG 69 -9.342 -12.591 -3.958 1244 1HD ARG 69 2HD ARG 69 -10.897 -14.336 -3.117 1245 2HD ARG 69 1HD ARG 69 -10.691 -15.225 -4.640 1246 HE ARG 69 HE ARG 69 -8.543 -15.877 -3.900 1247 1HH1 ARG 69 1HH1 ARG 69 -9.727 -13.142 -2.149 1248 2HH1 ARG 69 2HH1 ARG 69 -8.391 -13.109 -1.049 1249 1HH2 ARG 69 1HH2 ARG 69 -6.798 -15.838 -2.469 1250 2HH2 ARG 69 2HH2 ARG 69 -6.736 -14.630 -1.229 1251 H ILE 70 HN ILE 70 -11.387 -12.209 -8.146 1252 HA ILE 70 HA ILE 70 -8.827 -13.115 -9.018 1253 HB ILE 70 HB ILE 70 -11.470 -13.391 -9.669 1254 1HG1 ILE 70 2HG1 ILE 70 -9.132 -14.143 -11.434 1255 2HG1 ILE 70 1HG1 ILE 70 -9.619 -15.014 -9.979 1256 1HG2 ILE 70 1HG2 ILE 70 -11.610 -12.812 -12.120 1257 2HG2 ILE 70 2HG2 ILE 70 -10.162 -11.829 -11.903 1258 3HG2 ILE 70 3HG2 ILE 70 -11.643 -11.424 -11.036 1259 1HD1 ILE 70 1HD1 ILE 70 -11.970 -14.712 -11.503 1260 2HD1 ILE 70 2HD1 ILE 70 -11.057 -16.199 -11.242 1261 3HD1 ILE 70 3HD1 ILE 70 -10.718 -15.192 -12.649 1262 H THR 71 HN THR 71 -10.708 -10.212 -9.742 1263 HA THR 71 HA THR 71 -8.543 -9.007 -11.340 1264 HB THR 71 HB THR 71 -10.156 -7.190 -11.555 1265 HG1 THR 71 HG1 THR 71 -12.195 -8.107 -10.128 1266 1HG2 THR 71 1HG2 THR 71 -10.550 -9.524 -12.657 1267 2HG2 THR 71 2HG2 THR 71 -11.847 -8.329 -12.690 1268 3HG2 THR 71 3HG2 THR 71 -11.888 -9.642 -11.513 1269 H ASN 72 HN ASN 72 -8.345 -6.496 -10.506 1270 HA ASN 72 HA ASN 72 -7.605 -6.606 -7.615 1271 1HB ASN 72 2HB ASN 72 -5.712 -5.981 -8.847 1272 2HB ASN 72 1HB ASN 72 -6.663 -5.137 -10.055 1273 1HD2 ASN 72 1HD2 ASN 72 -5.652 -3.075 -9.913 1274 2HD2 ASN 72 2HD2 ASN 72 -5.666 -2.137 -8.494 1275 H LEU 73 HN LEU 73 -10.321 -6.262 -9.027 1276 HA LEU 73 HA LEU 73 -11.159 -3.514 -8.632 1277 1HB LEU 73 2HB LEU 73 -12.570 -6.194 -8.795 1278 2HB LEU 73 1HB LEU 73 -13.432 -4.659 -8.702 1279 HG LEU 73 HG LEU 73 -11.365 -5.284 -10.836 1280 1HD1 LEU 73 1HD1 LEU 73 -13.808 -6.517 -10.618 1281 2HD1 LEU 73 2HD1 LEU 73 -12.960 -6.235 -12.138 1282 3HD1 LEU 73 3HD1 LEU 73 -14.203 -5.106 -11.599 1283 1HD2 LEU 73 1HD2 LEU 73 -12.574 -3.351 -11.953 1284 2HD2 LEU 73 2HD2 LEU 73 -11.658 -2.913 -10.511 1285 3HD2 LEU 73 3HD2 LEU 73 -13.410 -3.084 -10.424 1286 H GLY 74 HN GLY 74 -11.234 -6.457 -6.594 1287 1HA GLY 74 2HA GLY 74 -12.760 -5.589 -4.455 1288 2HA GLY 74 1HA GLY 74 -11.362 -6.637 -4.262 1289 H ASP 75 HN ASP 75 -9.664 -4.373 -5.452 1290 HA ASP 75 HA ASP 75 -8.676 -3.368 -2.986 1291 1HB ASP 75 2HB ASP 75 -7.242 -2.043 -4.416 1292 2HB ASP 75 1HB ASP 75 -7.526 -3.581 -5.229 1293 H LEU 76 HN LEU 76 -11.317 -2.284 -4.947 1294 HA LEU 76 HA LEU 76 -11.348 0.498 -4.392 1295 1HB LEU 76 2HB LEU 76 -13.571 -1.514 -4.780 1296 2HB LEU 76 1HB LEU 76 -13.805 0.229 -4.836 1297 HG LEU 76 HG LEU 76 -11.849 -1.261 -6.606 1298 1HD1 LEU 76 1HD1 LEU 76 -14.734 -0.484 -6.983 1299 2HD1 LEU 76 2HD1 LEU 76 -13.934 -1.999 -7.399 1300 3HD1 LEU 76 3HD1 LEU 76 -13.646 -0.554 -8.368 1301 1HD2 LEU 76 1HD2 LEU 76 -12.717 1.229 -7.665 1302 2HD2 LEU 76 2HD2 LEU 76 -11.111 0.820 -7.062 1303 3HD2 LEU 76 3HD2 LEU 76 -12.313 1.509 -5.970 1304 H LYS 77 HN LYS 77 -12.161 1.691 -2.707 1305 HA LYS 77 HA LYS 77 -13.526 0.329 -0.442 1306 1HB LYS 77 2HB LYS 77 -10.995 2.002 -0.224 1307 2HB LYS 77 1HB LYS 77 -11.900 1.344 1.141 1308 1HG LYS 77 2HG LYS 77 -11.504 -0.943 0.303 1309 2HG LYS 77 1HG LYS 77 -10.595 -0.287 -1.059 1310 1HD LYS 77 2HD LYS 77 -8.975 0.724 0.505 1311 2HD LYS 77 1HD LYS 77 -9.880 0.062 1.867 1312 1HE LYS 77 2HE LYS 77 -9.295 -2.020 -0.080 1313 2HE LYS 77 1HE LYS 77 -7.809 -1.231 0.485 1314 1HZ LYS 77 1HZ LYS 77 -9.954 -1.923 2.388 1315 2HZ LYS 77 2HZ LYS 77 -8.299 -1.675 2.687 1316 3HZ LYS 77 3HZ LYS 77 -8.823 -3.097 1.919 1317 H VAL 78 HN VAL 78 -14.908 1.794 0.688 1318 HA VAL 78 HA VAL 78 -15.804 4.044 -0.838 1319 HB VAL 78 HB VAL 78 -16.303 3.395 2.087 1320 1HG1 VAL 78 1HG1 VAL 78 -17.138 5.555 0.581 1321 2HG1 VAL 78 2HG1 VAL 78 -17.981 4.923 1.999 1322 3HG1 VAL 78 3HG1 VAL 78 -18.476 4.413 0.382 1323 1HG2 VAL 78 1HG2 VAL 78 -16.895 1.928 -0.330 1324 2HG2 VAL 78 2HG2 VAL 78 -18.389 2.453 0.446 1325 3HG2 VAL 78 3HG2 VAL 78 -17.223 1.481 1.345 1326 H GLY 79 HN GLY 79 -15.603 6.266 -0.415 1327 1HA GLY 79 2HA GLY 79 -14.636 8.216 0.582 1328 2HA GLY 79 1HA GLY 79 -13.711 7.174 1.666 1329 H ASP 80 HN ASP 80 -13.249 5.596 -1.060 1330 HA ASP 80 HA ASP 80 -10.747 7.060 -1.741 1331 1HB ASP 80 2HB ASP 80 -10.909 4.567 -1.184 1332 2HB ASP 80 1HB ASP 80 -11.738 4.374 -2.725 1333 H TRP 81 HN TRP 81 -10.261 7.302 -4.090 1334 HA TRP 81 HA TRP 81 -12.767 7.656 -5.697 1335 1HB TRP 81 2HB TRP 81 -10.144 9.163 -5.622 1336 2HB TRP 81 1HB TRP 81 -11.296 9.355 -6.938 1337 HD1 TRP 81 HD1 TRP 81 -11.839 9.148 -3.101 1338 HE1 TRP 81 HE1 TRP 81 -13.294 11.140 -2.394 1339 HE3 TRP 81 HE3 TRP 81 -12.333 11.518 -7.600 1340 HZ2 TRP 81 HZ2 TRP 81 -14.501 13.450 -3.565 1341 HZ3 TRP 81 HZ3 TRP 81 -13.641 13.619 -7.773 1342 HH2 TRP 81 HH2 TRP 81 -14.725 14.585 -5.760 1343 H VAL 82 HN VAL 82 -12.695 6.938 -7.876 1344 HA VAL 82 HA VAL 82 -10.432 5.077 -8.536 1345 HB VAL 82 HB VAL 82 -12.406 3.794 -8.275 1346 1HG1 VAL 82 1HG1 VAL 82 -13.704 6.267 -9.297 1347 2HG1 VAL 82 2HG1 VAL 82 -14.214 5.190 -7.995 1348 3HG1 VAL 82 3HG1 VAL 82 -14.499 4.740 -9.678 1349 1HG2 VAL 82 1HG2 VAL 82 -12.632 2.839 -10.346 1350 2HG2 VAL 82 2HG2 VAL 82 -11.295 3.922 -10.741 1351 3HG2 VAL 82 3HG2 VAL 82 -12.955 4.390 -11.127 1352 H ASN 83 HN ASN 83 -9.758 5.034 -10.735 1353 HA ASN 83 HA ASN 83 -10.158 7.490 -12.328 1354 1HB ASN 83 2HB ASN 83 -8.395 5.157 -12.184 1355 2HB ASN 83 1HB ASN 83 -8.847 5.534 -13.829 1356 1HD2 ASN 83 1HD2 ASN 83 -6.321 6.073 -13.714 1357 2HD2 ASN 83 2HD2 ASN 83 -5.946 7.687 -13.345 1358 H VAL 84 HN VAL 84 -12.247 7.554 -13.174 1359 HA VAL 84 HA VAL 84 -13.346 5.004 -14.279 1360 HB VAL 84 HB VAL 84 -15.490 6.597 -14.240 1361 1HG1 VAL 84 1HG1 VAL 84 -14.937 4.450 -12.979 1362 2HG1 VAL 84 2HG1 VAL 84 -16.066 5.552 -12.187 1363 3HG1 VAL 84 3HG1 VAL 84 -14.382 5.484 -11.660 1364 1HG2 VAL 84 1HG2 VAL 84 -14.074 8.561 -13.481 1365 2HG2 VAL 84 2HG2 VAL 84 -13.824 7.701 -11.962 1366 3HG2 VAL 84 3HG2 VAL 84 -15.449 8.193 -12.439 1367 H GLU 85 HN GLU 85 -13.968 4.833 -16.371 1368 HA GLU 85 HA GLU 85 -13.763 7.256 -18.127 1369 1HB GLU 85 2HB GLU 85 -11.641 5.999 -18.161 1370 2HB GLU 85 1HB GLU 85 -12.516 4.526 -18.578 1371 1HG GLU 85 2HG GLU 85 -13.312 5.584 -20.661 1372 2HG GLU 85 1HG GLU 85 -12.433 7.056 -20.248 1373 H ARG 86 HN ARG 86 -15.242 7.243 -19.850 1374 HA ARG 86 HA ARG 86 -17.533 5.468 -19.564 1375 1HB ARG 86 2HB ARG 86 -17.765 7.829 -20.089 1376 2HB ARG 86 1HB ARG 86 -16.759 7.646 -21.526 1377 1HG ARG 86 2HG ARG 86 -18.432 6.122 -22.510 1378 2HG ARG 86 1HG ARG 86 -19.443 6.306 -21.075 1379 1HD ARG 86 2HD ARG 86 -20.199 7.817 -22.898 1380 2HD ARG 86 1HD ARG 86 -19.598 8.752 -21.515 1381 HE ARG 86 HE ARG 86 -17.725 9.399 -22.816 1382 1HH1 ARG 86 1HH1 ARG 86 -19.445 6.756 -24.236 1383 2HH1 ARG 86 2HH1 ARG 86 -18.550 6.805 -25.717 1384 1HH2 ARG 86 1HH2 ARG 86 -16.555 9.466 -24.742 1385 2HH2 ARG 86 2HH2 ARG 86 -16.916 8.334 -26.003 1386 H ALA 87 HN ALA 87 -17.909 3.602 -20.681 1387 HA ALA 87 HA ALA 87 -16.413 3.123 -23.246 1388 1HB ALA 87 1HB ALA 87 -17.259 0.888 -21.446 1389 2HB ALA 87 2HB ALA 87 -15.841 1.834 -20.993 1390 3HB ALA 87 3HB ALA 87 -15.879 0.984 -22.538 1391 H ALA 88 HN ALA 88 -17.642 2.182 -24.885 1392 HA ALA 88 HA ALA 88 -20.549 1.676 -24.328 1393 1HB ALA 88 1HB ALA 88 -20.484 3.880 -25.170 1394 2HB ALA 88 2HB ALA 88 -20.784 2.913 -26.616 1395 3HB ALA 88 3HB ALA 88 -19.156 3.504 -26.272 1396 H LYS 89 HN LYS 89 -21.433 0.008 -25.565 1397 HA LYS 89 HA LYS 89 -19.753 -1.986 -26.704 1398 1HB LYS 89 2HB LYS 89 -22.688 -1.280 -26.974 1399 2HB LYS 89 1HB LYS 89 -21.999 -2.776 -27.609 1400 1HG LYS 89 2HG LYS 89 -21.721 -3.690 -25.534 1401 2HG LYS 89 1HG LYS 89 -21.305 -2.140 -24.798 1402 1HD LYS 89 2HD LYS 89 -23.618 -1.468 -24.730 1403 2HD LYS 89 1HD LYS 89 -24.108 -2.873 -25.681 1404 1HE LYS 89 2HE LYS 89 -23.794 -4.357 -23.892 1405 2HE LYS 89 1HE LYS 89 -22.662 -3.269 -23.065 1406 1HZ LYS 89 1HZ LYS 89 -25.249 -3.426 -22.439 1407 2HZ LYS 89 2HZ LYS 89 -25.303 -2.187 -23.601 1408 3HZ LYS 89 3HZ LYS 89 -24.323 -2.022 -22.223 1409 H PHE 90 HN PHE 90 -21.593 0.665 -28.207 1410 HA PHE 90 HA PHE 90 -19.903 0.342 -30.652 1411 1HB PHE 90 2HB PHE 90 -21.942 0.657 -32.011 1412 2HB PHE 90 1HB PHE 90 -22.102 -0.758 -30.972 1413 HD1 PHE 90 HD1 PHE 90 -23.587 -0.743 -29.025 1414 HD2 PHE 90 HD2 PHE 90 -23.192 2.712 -31.553 1415 HE1 PHE 90 HE1 PHE 90 -25.606 0.252 -27.980 1416 HE2 PHE 90 HE2 PHE 90 -25.212 3.708 -30.509 1417 HZ PHE 90 HZ PHE 90 -26.419 2.478 -28.722 1418 H SER 91 HN SER 91 -19.707 2.348 -31.855 1419 HA SER 91 HA SER 91 -20.750 4.784 -30.466 1420 1HB SER 91 2HB SER 91 -17.934 4.160 -31.387 1421 2HB SER 91 1HB SER 91 -18.469 5.795 -31.011 1422 HG SER 91 HG SER 91 -18.858 5.166 -28.922 1423 H ASP 92 HN ASP 92 -21.278 6.487 -31.905 1424 HA ASP 92 HA ASP 92 -21.989 5.852 -34.596 1425 1HB ASP 92 2HB ASP 92 -22.955 7.667 -33.225 1426 2HB ASP 92 1HB ASP 92 -21.405 8.508 -33.242 1427 H GLU 93 HN GLU 93 -19.114 7.439 -33.214 1428 HA GLU 93 HA GLU 93 -17.896 7.502 -35.943 1429 1HB GLU 93 2HB GLU 93 -17.149 8.941 -33.376 1430 2HB GLU 93 1HB GLU 93 -16.512 9.279 -34.987 1431 1HG GLU 93 2HG GLU 93 -18.750 9.917 -35.764 1432 2HG GLU 93 1HG GLU 93 -19.425 9.531 -34.181 1433 H ILE 94 HN ILE 94 -17.840 4.989 -34.856 1434 HA ILE 94 HA ILE 94 -15.541 4.340 -33.253 1435 HB ILE 94 HB ILE 94 -17.088 2.883 -35.423 1436 1HG1 ILE 94 2HG1 ILE 94 -17.069 2.305 -32.459 1437 2HG1 ILE 94 1HG1 ILE 94 -18.118 3.552 -33.132 1438 1HG2 ILE 94 1HG2 ILE 94 -15.978 0.854 -34.148 1439 2HG2 ILE 94 2HG2 ILE 94 -14.737 2.044 -33.758 1440 3HG2 ILE 94 3HG2 ILE 94 -15.103 1.671 -35.443 1441 1HD1 ILE 94 1HD1 ILE 94 -18.505 0.711 -33.129 1442 2HD1 ILE 94 2HD1 ILE 94 -18.369 1.264 -34.799 1443 3HD1 ILE 94 3HD1 ILE 94 -19.588 1.964 -33.734 1444 H GLY 95 HN GLY 95 -15.997 4.727 -36.766 1445 1HA GLY 95 2HA GLY 95 -14.430 5.085 -38.474 1446 2HA GLY 95 1HA GLY 95 -13.452 5.841 -37.217 1447 H GLY 96 HN GLY 96 -14.281 2.647 -38.573 1448 1HA GLY 96 2HA GLY 96 -11.619 1.804 -38.899 1449 2HA GLY 96 1HA GLY 96 -12.112 1.247 -37.299 1450 H HIS 97 HN HIS 97 -11.577 -0.804 -38.816 1451 HA HIS 97 HA HIS 97 -14.247 -1.816 -39.725 1452 1HB HIS 97 2HB HIS 97 -11.550 -2.193 -41.070 1453 2HB HIS 97 1HB HIS 97 -13.081 -2.863 -41.633 1454 HD1 HIS 97 HD1 HIS 97 -14.940 -1.071 -42.362 1455 HD2 HIS 97 HD2 HIS 97 -11.096 0.453 -41.841 1456 HE1 HIS 97 HE1 HIS 97 -14.914 1.204 -43.475 1457 HN3 RBF 98 HN3 RBF 98 3.946 6.426 -13.292 1458 HC6 RBF 98 HC6 RBF 98 3.321 4.965 -20.071 1459 1HC7 RBF 98 1HC7 RBF 98 2.711 4.646 -22.310 1460 2HC7 RBF 98 2HC7 RBF 98 2.814 6.221 -23.127 1461 3HC7 RBF 98 3HC7 RBF 98 1.240 5.421 -22.935 1462 1HC8 RBF 98 1HC8 RBF 98 0.220 7.083 -22.946 1463 2HC8 RBF 98 2HC8 RBF 98 1.097 8.623 -22.822 1464 3HC8 RBF 98 3HC8 RBF 98 -0.465 8.421 -21.998 1465 HC9 RBF 98 HC9 RBF 98 0.339 8.923 -19.768 1466 1HC1 RBF 98 1HC1 RBF 98 0.768 10.060 -18.186 1467 2HC1 RBF 98 2HC1 RBF 98 0.816 9.925 -16.416 1468 HC2* RBF 98 HC2* RBF 98 -1.124 8.537 -16.364 1469 HO2* RBF 98 HO2* RBF 98 -1.589 7.220 -17.976 1470 HC3* RBF 98 HC3* RBF 98 -2.779 9.821 -17.825 1471 HO3* RBF 98 HO3* RBF 98 -0.918 10.267 -19.399 1472 HC4* RBF 98 HC4* RBF 98 -0.769 11.316 -16.097 1473 HO4* RBF 98 HO4* RBF 98 -1.860 9.727 -14.929 1474 1HC5 RBF 98 1HC5 RBF 98 -1.971 12.936 -17.439 1475 2HC5 RBF 98 2HC5 RBF 98 -3.514 12.111 -17.142 1476 HO5* RBF 98 HO5* RBF 98 -1.879 13.518 -15.252 1477 HN3 RBF 99 HN3 RBF 99 -18.446 -6.273 -12.351 1478 HC6 RBF 99 HC6 RBF 99 -18.054 -5.427 -19.252 1479 1HC7 RBF 99 1HC7 RBF 99 -17.520 -5.312 -21.530 1480 2HC7 RBF 99 2HC7 RBF 99 -17.638 -6.955 -22.196 1481 3HC7 RBF 99 3HC7 RBF 99 -16.064 -6.133 -22.130 1482 1HC8 RBF 99 1HC8 RBF 99 -15.033 -7.784 -22.024 1483 2HC8 RBF 99 2HC8 RBF 99 -15.894 -9.310 -21.732 1484 3HC8 RBF 99 3HC8 RBF 99 -14.308 -9.028 -20.983 1485 HC9 RBF 99 HC9 RBF 99 -15.034 -9.329 -18.690 1486 1HC1 RBF 99 1HC1 RBF 99 -15.402 -10.319 -16.998 1487 2HC1 RBF 99 2HC1 RBF 99 -15.394 -10.023 -15.247 1488 HC2* RBF 99 HC2* RBF 99 -13.466 -8.626 -15.382 1489 HO2* RBF 99 HO2* RBF 99 -13.062 -7.460 -17.124 1490 HC3* RBF 99 HC3* RBF 99 -11.847 -10.030 -16.779 1491 HO3* RBF 99 HO3* RBF 99 -13.756 -10.627 -18.242 1492 HC4* RBF 99 HC4* RBF 99 -13.789 -11.372 -14.855 1493 HO4* RBF 99 HO4* RBF 99 -12.673 -9.679 -13.874 1494 1HC5 RBF 99 1HC5 RBF 99 -12.619 -13.102 -16.086 1495 2HC5 RBF 99 2HC5 RBF 99 -11.073 -12.246 -15.915 1496 HO5* RBF 99 HO5* RBF 99 -12.635 -13.482 -13.852 Start of MODEL 15 1 1H MET 1 1HT MET 1 -16.156 -1.100 -27.826 2 2H MET 1 2HT MET 1 -16.373 -1.691 -29.404 3 3H MET 1 3HT MET 1 -15.169 -0.534 -29.085 4 HA MET 1 HA MET 1 -15.211 -3.374 -28.205 5 1HB MET 1 2HB MET 1 -13.548 -1.644 -30.056 6 2HB MET 1 1HB MET 1 -13.059 -3.264 -29.562 7 1HG MET 1 2HG MET 1 -15.149 -4.185 -30.488 8 2HG MET 1 1HG MET 1 -15.645 -2.567 -30.985 9 1HE MET 1 1HE MET 1 -12.043 -4.952 -32.553 10 2HE MET 1 2HE MET 1 -13.309 -5.570 -31.495 11 3HE MET 1 3HE MET 1 -12.194 -4.342 -30.899 12 H PHE 2 HN PHE 2 -14.359 -3.598 -26.173 13 HA PHE 2 HA PHE 2 -11.843 -2.515 -25.416 14 1HB PHE 2 2HB PHE 2 -12.537 -0.793 -23.869 15 2HB PHE 2 1HB PHE 2 -13.311 -0.445 -25.407 16 HD1 PHE 2 HD1 PHE 2 -13.912 -2.273 -22.185 17 HD2 PHE 2 HD2 PHE 2 -15.643 -0.081 -25.461 18 HE1 PHE 2 HE1 PHE 2 -16.130 -2.363 -21.081 19 HE2 PHE 2 HE2 PHE 2 -17.853 -0.198 -24.361 20 HZ PHE 2 HZ PHE 2 -18.102 -1.333 -22.176 21 H THR 3 HN THR 3 -11.128 -3.700 -23.612 22 HA THR 3 HA THR 3 -13.216 -5.294 -22.168 23 HB THR 3 HB THR 3 -11.879 -7.248 -22.499 24 HG1 THR 3 HG1 THR 3 -9.772 -7.159 -22.908 25 1HG2 THR 3 1HG2 THR 3 -11.127 -6.142 -25.111 26 2HG2 THR 3 2HG2 THR 3 -12.802 -5.800 -24.676 27 3HG2 THR 3 3HG2 THR 3 -12.222 -7.467 -24.727 28 H GLY 4 HN GLY 4 -9.969 -3.867 -22.147 29 1HA GLY 4 2HA GLY 4 -8.562 -3.295 -20.357 30 2HA GLY 4 1HA GLY 4 -10.058 -2.964 -19.481 31 H ILE 5 HN ILE 5 -9.605 -6.138 -20.761 32 HA ILE 5 HA ILE 5 -9.787 -7.272 -18.068 33 HB ILE 5 HB ILE 5 -9.325 -8.609 -20.756 34 1HG1 ILE 5 2HG1 ILE 5 -11.241 -7.018 -20.792 35 2HG1 ILE 5 1HG1 ILE 5 -11.761 -8.691 -20.961 36 1HG2 ILE 5 1HG2 ILE 5 -9.839 -9.550 -18.047 37 2HG2 ILE 5 2HG2 ILE 5 -9.379 -10.469 -19.481 38 3HG2 ILE 5 3HG2 ILE 5 -11.076 -10.098 -19.178 39 1HD1 ILE 5 1HD1 ILE 5 -11.637 -7.369 -18.253 40 2HD1 ILE 5 2HD1 ILE 5 -12.568 -8.782 -18.747 41 3HD1 ILE 5 3HD1 ILE 5 -13.048 -7.176 -19.292 42 H VAL 6 HN VAL 6 -8.047 -7.685 -16.799 43 HA VAL 6 HA VAL 6 -5.365 -7.254 -17.830 44 HB VAL 6 HB VAL 6 -6.746 -7.665 -15.212 45 1HG1 VAL 6 1HG1 VAL 6 -4.438 -7.602 -14.106 46 2HG1 VAL 6 2HG1 VAL 6 -3.784 -8.089 -15.670 47 3HG1 VAL 6 3HG1 VAL 6 -4.907 -9.147 -14.816 48 1HG2 VAL 6 1HG2 VAL 6 -4.671 -5.718 -15.203 49 2HG2 VAL 6 2HG2 VAL 6 -6.414 -5.441 -15.218 50 3HG2 VAL 6 3HG2 VAL 6 -5.526 -5.568 -16.737 51 H GLN 7 HN GLN 7 -3.717 -8.720 -18.078 52 HA GLN 7 HA GLN 7 -4.327 -11.506 -18.550 53 1HB GLN 7 2HB GLN 7 -1.793 -9.865 -18.305 54 2HB GLN 7 1HB GLN 7 -1.791 -11.567 -18.766 55 1HG GLN 7 2HG GLN 7 -3.405 -9.457 -20.218 56 2HG GLN 7 1HG GLN 7 -1.787 -9.952 -20.714 57 1HE2 GLN 7 1HE2 GLN 7 -4.700 -10.413 -21.843 58 2HE2 GLN 7 2HE2 GLN 7 -4.696 -12.072 -22.202 59 H GLY 8 HN GLY 8 -2.866 -9.700 -15.823 60 1HA GLY 8 2HA GLY 8 -3.235 -12.044 -14.076 61 2HA GLY 8 1HA GLY 8 -1.553 -11.673 -14.453 62 H THR 9 HN THR 9 -2.149 -11.511 -11.847 63 HA THR 9 HA THR 9 -2.693 -8.615 -11.306 64 HB THR 9 HB THR 9 -3.188 -9.640 -8.970 65 HG1 THR 9 HG1 THR 9 -2.173 -11.675 -9.714 66 1HG2 THR 9 1HG2 THR 9 -5.300 -9.304 -9.661 67 2HG2 THR 9 2HG2 THR 9 -5.261 -10.815 -10.572 68 3HG2 THR 9 3HG2 THR 9 -4.733 -9.313 -11.331 69 H ALA 10 HN ALA 10 -1.596 -7.938 -9.152 70 HA ALA 10 HA ALA 10 1.166 -9.055 -8.873 71 1HB ALA 10 1HB ALA 10 0.274 -6.544 -10.099 72 2HB ALA 10 2HB ALA 10 1.863 -7.312 -10.150 73 3HB ALA 10 3HB ALA 10 1.428 -6.280 -8.789 74 H LYS 11 HN LYS 11 2.050 -8.664 -6.790 75 HA LYS 11 HA LYS 11 0.064 -7.677 -4.772 76 1HB LYS 11 2HB LYS 11 0.949 -9.956 -4.515 77 2HB LYS 11 1HB LYS 11 2.590 -9.323 -4.534 78 1HG LYS 11 2HG LYS 11 2.199 -8.062 -2.500 79 2HG LYS 11 1HG LYS 11 0.495 -8.515 -2.505 80 1HD LYS 11 2HD LYS 11 0.911 -10.604 -1.694 81 2HD LYS 11 1HD LYS 11 2.414 -10.770 -2.607 82 1HE LYS 11 2HE LYS 11 3.398 -9.021 -0.980 83 2HE LYS 11 1HE LYS 11 1.978 -9.355 0.032 84 1HZ LYS 11 1HZ LYS 11 3.274 -11.698 -1.069 85 2HZ LYS 11 2HZ LYS 11 2.682 -11.420 0.500 86 3HZ LYS 11 3HZ LYS 11 4.215 -10.842 0.052 87 H LEU 12 HN LEU 12 0.424 -5.590 -4.136 88 HA LEU 12 HA LEU 12 2.887 -4.119 -4.443 89 1HB LEU 12 2HB LEU 12 0.393 -3.412 -3.934 90 2HB LEU 12 1HB LEU 12 0.855 -3.684 -2.268 91 HG LEU 12 HG LEU 12 2.642 -2.054 -2.432 92 1HD1 LEU 12 1HD1 LEU 12 3.616 -2.054 -4.504 93 2HD1 LEU 12 2HD1 LEU 12 2.465 -0.757 -4.818 94 3HD1 LEU 12 3HD1 LEU 12 2.097 -2.405 -5.328 95 1HD2 LEU 12 1HD2 LEU 12 0.824 -0.298 -3.783 96 2HD2 LEU 12 2HD2 LEU 12 1.098 -0.456 -2.049 97 3HD2 LEU 12 3HD2 LEU 12 -0.126 -1.449 -2.843 98 H VAL 13 HN VAL 13 4.704 -4.370 -3.246 99 HA VAL 13 HA VAL 13 4.467 -5.759 -0.604 100 HB VAL 13 HB VAL 13 5.262 -7.366 -2.137 101 1HG1 VAL 13 1HG1 VAL 13 7.555 -6.325 -3.360 102 2HG1 VAL 13 2HG1 VAL 13 6.329 -5.075 -3.536 103 3HG1 VAL 13 3HG1 VAL 13 6.019 -6.705 -4.140 104 1HG2 VAL 13 1HG2 VAL 13 6.643 -7.344 -0.157 105 2HG2 VAL 13 2HG2 VAL 13 7.614 -6.020 -0.799 106 3HG2 VAL 13 3HG2 VAL 13 7.699 -7.616 -1.542 107 H SER 14 HN SER 14 6.160 -3.426 -2.617 108 HA SER 14 HA SER 14 7.297 -2.237 -0.105 109 1HB SER 14 2HB SER 14 8.727 -3.905 -1.651 110 2HB SER 14 1HB SER 14 9.030 -2.403 -2.514 111 HG SER 14 HG SER 14 10.523 -2.880 -0.766 112 H ILE 15 HN ILE 15 7.357 0.002 -0.154 113 HA ILE 15 HA ILE 15 6.753 1.337 -2.776 114 HB ILE 15 HB ILE 15 6.439 2.501 0.001 115 1HG1 ILE 15 2HG1 ILE 15 4.450 1.004 -1.723 116 2HG1 ILE 15 1HG1 ILE 15 5.033 0.547 -0.125 117 1HG2 ILE 15 1HG2 ILE 15 5.819 3.307 -2.803 118 2HG2 ILE 15 2HG2 ILE 15 6.331 4.297 -1.438 119 3HG2 ILE 15 3HG2 ILE 15 4.651 3.767 -1.564 120 1HD1 ILE 15 1HD1 ILE 15 2.834 2.280 -0.795 121 2HD1 ILE 15 2HD1 ILE 15 4.047 3.198 0.100 122 3HD1 ILE 15 3HD1 ILE 15 3.356 1.737 0.798 123 H ASP 16 HN ASP 16 8.361 2.566 -3.575 124 HA ASP 16 HA ASP 16 10.621 3.344 -1.788 125 1HB ASP 16 2HB ASP 16 10.342 2.759 -4.731 126 2HB ASP 16 1HB ASP 16 11.724 3.670 -4.121 127 H GLU 17 HN GLU 17 10.346 5.444 -1.123 128 HA GLU 17 HA GLU 17 8.819 7.301 -2.874 129 1HB GLU 17 2HB GLU 17 8.159 6.964 -0.521 130 2HB GLU 17 1HB GLU 17 9.768 7.464 0.004 131 1HG GLU 17 2HG GLU 17 9.417 9.681 -1.019 132 2HG GLU 17 1HG GLU 17 7.807 9.184 -1.544 133 H LYS 18 HN LYS 18 10.132 8.399 -4.301 134 HA LYS 18 HA LYS 18 12.703 9.530 -3.246 135 1HB LYS 18 2HB LYS 18 11.943 9.424 -6.158 136 2HB LYS 18 1HB LYS 18 13.546 9.379 -5.433 137 1HG LYS 18 2HG LYS 18 12.306 7.102 -4.415 138 2HG LYS 18 1HG LYS 18 11.748 7.173 -6.088 139 1HD LYS 18 2HD LYS 18 14.454 7.821 -6.260 140 2HD LYS 18 1HD LYS 18 14.402 6.538 -5.049 141 1HE LYS 18 2HE LYS 18 12.916 5.242 -6.695 142 2HE LYS 18 1HE LYS 18 13.415 6.436 -7.910 143 1HZ LYS 18 1HZ LYS 18 15.336 4.985 -6.175 144 2HZ LYS 18 2HZ LYS 18 15.684 5.936 -7.540 145 3HZ LYS 18 3HZ LYS 18 14.902 4.439 -7.721 146 HA PRO 19 HA PRO 19 10.476 13.359 -3.076 147 1HB PRO 19 2HB PRO 19 12.800 14.923 -3.474 148 2HB PRO 19 1HB PRO 19 12.113 14.439 -1.912 149 1HG PRO 19 2HG PRO 19 14.361 13.253 -3.437 150 2HG PRO 19 1HG PRO 19 14.110 13.360 -1.687 151 1HD PRO 19 2HD PRO 19 13.792 11.051 -3.018 152 2HD PRO 19 1HD PRO 19 12.762 11.479 -1.631 153 H ASN 20 HN ASN 20 12.833 12.594 -5.602 154 HA ASN 20 HA ASN 20 11.874 14.573 -7.515 155 1HB ASN 20 2HB ASN 20 13.267 11.946 -8.081 156 2HB ASN 20 1HB ASN 20 13.389 13.456 -8.984 157 1HD2 ASN 20 1HD2 ASN 20 14.835 11.601 -6.496 158 2HD2 ASN 20 2HD2 ASN 20 15.877 12.793 -5.892 159 H PHE 21 HN PHE 21 11.231 11.132 -6.867 160 HA PHE 21 HA PHE 21 8.665 11.326 -8.345 161 1HB PHE 21 2HB PHE 21 10.909 9.396 -9.031 162 2HB PHE 21 1HB PHE 21 9.307 9.395 -9.766 163 HD1 PHE 21 HD1 PHE 21 8.586 11.243 -11.236 164 HD2 PHE 21 HD2 PHE 21 12.552 11.091 -9.585 165 HE1 PHE 21 HE1 PHE 21 9.332 12.958 -12.869 166 HE2 PHE 21 HE2 PHE 21 13.298 12.806 -11.215 167 HZ PHE 21 HZ PHE 21 11.687 13.740 -12.858 168 H ARG 22 HN ARG 22 7.195 9.648 -7.703 169 HA ARG 22 HA ARG 22 7.966 8.143 -5.264 170 1HB ARG 22 2HB ARG 22 5.788 9.377 -5.494 171 2HB ARG 22 1HB ARG 22 5.349 8.249 -6.773 172 1HG ARG 22 2HG ARG 22 5.442 6.375 -5.262 173 2HG ARG 22 1HG ARG 22 6.115 7.384 -3.979 174 1HD ARG 22 2HD ARG 22 4.042 8.678 -3.848 175 2HD ARG 22 1HD ARG 22 3.360 7.766 -5.211 176 HE ARG 22 HE ARG 22 4.076 5.757 -3.511 177 1HH1 ARG 22 1HH1 ARG 22 2.340 8.716 -3.092 178 2HH1 ARG 22 2HH1 ARG 22 1.401 8.123 -1.765 179 1HH2 ARG 22 1HH2 ARG 22 2.856 4.979 -1.784 180 2HH2 ARG 22 2HH2 ARG 22 1.690 6.011 -1.026 181 H THR 23 HN THR 23 8.240 5.957 -5.280 182 HA THR 23 HA THR 23 8.057 4.540 -7.909 183 HB THR 23 HB THR 23 10.082 4.327 -5.657 184 HG1 THR 23 HG1 THR 23 10.047 5.579 -8.179 185 1HG2 THR 23 1HG2 THR 23 9.463 2.636 -7.980 186 2HG2 THR 23 2HG2 THR 23 10.414 2.267 -6.540 187 3HG2 THR 23 3HG2 THR 23 11.156 3.123 -7.891 188 H HIS 24 HN HIS 24 6.860 2.643 -7.825 189 HA HIS 24 HA HIS 24 6.315 1.497 -5.112 190 1HB HIS 24 2HB HIS 24 4.596 2.534 -7.218 191 2HB HIS 24 1HB HIS 24 4.164 0.886 -6.761 192 HD1 HIS 24 HD1 HIS 24 3.037 4.012 -5.895 193 HD2 HIS 24 HD2 HIS 24 4.673 0.970 -3.567 194 HE1 HIS 24 HE1 HIS 24 2.321 4.471 -3.506 195 H VAL 25 HN VAL 25 6.519 -0.724 -4.938 196 HA VAL 25 HA VAL 25 7.254 -2.194 -7.437 197 HB VAL 25 HB VAL 25 8.155 -2.766 -4.617 198 1HG1 VAL 25 1HG1 VAL 25 8.430 -4.534 -6.352 199 2HG1 VAL 25 2HG1 VAL 25 9.974 -3.947 -5.734 200 3HG1 VAL 25 3HG1 VAL 25 9.392 -3.407 -7.308 201 1HG2 VAL 25 1HG2 VAL 25 9.025 -0.618 -4.856 202 2HG2 VAL 25 2HG2 VAL 25 9.143 -0.752 -6.610 203 3HG2 VAL 25 3HG2 VAL 25 10.315 -1.576 -5.581 204 H VAL 26 HN VAL 26 6.152 -4.029 -7.861 205 HA VAL 26 HA VAL 26 4.282 -5.093 -5.773 206 HB VAL 26 HB VAL 26 2.974 -5.842 -7.771 207 1HG1 VAL 26 1HG1 VAL 26 3.507 -3.112 -6.953 208 2HG1 VAL 26 2HG1 VAL 26 1.978 -3.848 -7.433 209 3HG1 VAL 26 3HG1 VAL 26 3.055 -3.175 -8.656 210 1HG2 VAL 26 1HG2 VAL 26 5.311 -5.714 -9.120 211 2HG2 VAL 26 2HG2 VAL 26 4.656 -4.135 -9.552 212 3HG2 VAL 26 3HG2 VAL 26 3.749 -5.600 -9.929 213 H GLU 27 HN GLU 27 3.837 -7.525 -6.203 214 HA GLU 27 HA GLU 27 6.412 -8.934 -6.727 215 1HB GLU 27 2HB GLU 27 4.788 -8.949 -4.577 216 2HB GLU 27 1HB GLU 27 3.993 -10.188 -5.541 217 1HG GLU 27 2HG GLU 27 5.889 -11.582 -5.544 218 2HG GLU 27 1HG GLU 27 6.968 -10.266 -5.091 219 H LEU 28 HN LEU 28 6.496 -9.783 -8.737 220 HA LEU 28 HA LEU 28 4.108 -9.944 -10.374 221 1HB LEU 28 2HB LEU 28 6.707 -9.307 -10.703 222 2HB LEU 28 1HB LEU 28 6.761 -10.985 -11.224 223 HG LEU 28 HG LEU 28 5.054 -10.573 -12.907 224 1HD1 LEU 28 1HD1 LEU 28 3.522 -8.964 -12.515 225 2HD1 LEU 28 2HD1 LEU 28 4.761 -7.757 -12.857 226 3HD1 LEU 28 3HD1 LEU 28 4.499 -8.305 -11.203 227 1HD2 LEU 28 1HD2 LEU 28 7.587 -9.664 -13.062 228 2HD2 LEU 28 2HD2 LEU 28 6.733 -8.133 -13.252 229 3HD2 LEU 28 3HD2 LEU 28 6.432 -9.455 -14.376 230 HA PRO 29 HA PRO 29 3.337 -14.213 -9.381 231 1HB PRO 29 2HB PRO 29 1.511 -14.639 -11.396 232 2HB PRO 29 1HB PRO 29 1.120 -13.904 -9.834 233 1HG PRO 29 2HG PRO 29 1.567 -12.617 -12.468 234 2HG PRO 29 1HG PRO 29 0.464 -12.166 -11.160 235 1HD PRO 29 2HD PRO 29 2.805 -10.873 -11.664 236 2HD PRO 29 1HD PRO 29 2.061 -10.962 -10.053 237 H ASP 30 HN ASP 30 3.150 -16.304 -10.844 238 HA ASP 30 HA ASP 30 5.672 -16.670 -12.078 239 1HB ASP 30 2HB ASP 30 4.698 -18.860 -12.713 240 2HB ASP 30 1HB ASP 30 4.289 -18.429 -11.052 241 H HIS 31 HN HIS 31 2.475 -16.082 -13.568 242 HA HIS 31 HA HIS 31 3.642 -16.390 -16.249 243 1HB HIS 31 2HB HIS 31 1.320 -16.180 -16.968 244 2HB HIS 31 1HB HIS 31 1.407 -17.269 -15.589 245 HD1 HIS 31 HD1 HIS 31 1.840 -14.355 -13.830 246 HD2 HIS 31 HD2 HIS 31 -1.431 -15.793 -15.971 247 HE1 HIS 31 HE1 HIS 31 -0.198 -13.168 -12.909 248 H MET 32 HN MET 32 3.623 -13.877 -14.099 249 HA MET 32 HA MET 32 3.620 -11.850 -16.313 250 1HB MET 32 2HB MET 32 3.308 -11.601 -13.305 251 2HB MET 32 1HB MET 32 3.432 -10.222 -14.397 252 1HG MET 32 2HG MET 32 1.330 -12.391 -14.632 253 2HG MET 32 1HG MET 32 1.063 -10.837 -13.843 254 1HE MET 32 1HE MET 32 2.540 -8.733 -15.400 255 2HE MET 32 2HE MET 32 0.854 -8.642 -14.900 256 3HE MET 32 3HE MET 32 1.298 -8.224 -16.553 257 H LEU 33 HN LEU 33 5.500 -13.626 -14.047 258 HA LEU 33 HA LEU 33 7.818 -11.903 -13.854 259 1HB LEU 33 2HB LEU 33 7.187 -14.831 -13.513 260 2HB LEU 33 1HB LEU 33 8.854 -14.265 -13.404 261 HG LEU 33 HG LEU 33 6.642 -12.970 -11.794 262 1HD1 LEU 33 1HD1 LEU 33 8.226 -14.650 -10.147 263 2HD1 LEU 33 2HD1 LEU 33 7.694 -15.638 -11.507 264 3HD1 LEU 33 3HD1 LEU 33 6.506 -14.809 -10.501 265 1HD2 LEU 33 1HD2 LEU 33 9.624 -13.219 -11.318 266 2HD2 LEU 33 2HD2 LEU 33 8.488 -12.182 -10.455 267 3HD2 LEU 33 3HD2 LEU 33 8.879 -11.851 -12.143 268 H ASP 34 HN ASP 34 6.557 -14.086 -16.268 269 HA ASP 34 HA ASP 34 9.106 -14.200 -17.762 270 1HB ASP 34 2HB ASP 34 6.333 -15.375 -18.015 271 2HB ASP 34 1HB ASP 34 7.561 -15.617 -19.261 272 H GLY 35 HN GLY 35 9.552 -12.849 -19.469 273 1HA GLY 35 2HA GLY 35 9.021 -11.654 -21.472 274 2HA GLY 35 1HA GLY 35 7.323 -11.663 -20.998 275 H LEU 36 HN LEU 36 7.586 -10.585 -18.383 276 HA LEU 36 HA LEU 36 7.654 -7.779 -19.033 277 1HB LEU 36 2HB LEU 36 6.352 -9.149 -17.237 278 2HB LEU 36 1HB LEU 36 7.803 -8.940 -16.254 279 HG LEU 36 HG LEU 36 6.572 -6.557 -17.609 280 1HD1 LEU 36 1HD1 LEU 36 4.656 -7.371 -16.485 281 2HD1 LEU 36 2HD1 LEU 36 5.367 -6.229 -15.345 282 3HD1 LEU 36 3HD1 LEU 36 5.603 -7.961 -15.120 283 1HD2 LEU 36 1HD2 LEU 36 8.825 -6.913 -16.095 284 2HD2 LEU 36 2HD2 LEU 36 7.655 -6.448 -14.860 285 3HD2 LEU 36 3HD2 LEU 36 7.959 -5.382 -16.233 286 H GLU 37 HN GLU 37 9.189 -6.198 -18.410 287 HA GLU 37 HA GLU 37 11.700 -7.012 -17.080 288 1HB GLU 37 2HB GLU 37 13.021 -6.376 -19.085 289 2HB GLU 37 1HB GLU 37 11.927 -7.713 -19.440 290 1HG GLU 37 2HG GLU 37 10.275 -6.072 -20.340 291 2HG GLU 37 1HG GLU 37 11.457 -4.787 -20.082 292 H THR 38 HN THR 38 13.149 -5.021 -16.838 293 HA THR 38 HA THR 38 11.629 -2.786 -15.893 294 HB THR 38 HB THR 38 14.195 -1.884 -16.246 295 HG1 THR 38 HG1 THR 38 15.451 -3.505 -16.619 296 1HG2 THR 38 1HG2 THR 38 12.795 -3.452 -14.121 297 2HG2 THR 38 2HG2 THR 38 13.337 -1.775 -14.096 298 3HG2 THR 38 3HG2 THR 38 14.508 -3.082 -13.924 299 H GLY 39 HN GLY 39 11.365 -0.685 -16.834 300 1HA GLY 39 2HA GLY 39 11.287 0.914 -18.586 301 2HA GLY 39 1HA GLY 39 12.294 -0.148 -19.567 302 H ALA 40 HN ALA 40 10.017 -2.148 -18.373 303 HA ALA 40 HA ALA 40 8.428 -2.202 -20.834 304 1HB ALA 40 1HB ALA 40 9.087 -4.238 -19.657 305 2HB ALA 40 2HB ALA 40 7.334 -4.077 -19.549 306 3HB ALA 40 3HB ALA 40 8.346 -3.649 -18.166 307 H SER 41 HN SER 41 6.000 -1.944 -20.756 308 HA SER 41 HA SER 41 5.240 0.100 -18.707 309 1HB SER 41 2HB SER 41 3.220 0.068 -20.494 310 2HB SER 41 1HB SER 41 4.689 1.000 -20.748 311 HG SER 41 HG SER 41 5.336 -0.399 -22.216 312 H VAL 42 HN VAL 42 4.249 -0.807 -16.967 313 HA VAL 42 HA VAL 42 2.462 -3.162 -17.356 314 HB VAL 42 HB VAL 42 4.094 -2.000 -15.147 315 1HG1 VAL 42 1HG1 VAL 42 2.547 -3.534 -13.615 316 2HG1 VAL 42 2HG1 VAL 42 1.319 -2.989 -14.758 317 3HG1 VAL 42 3HG1 VAL 42 2.239 -1.810 -13.824 318 1HG2 VAL 42 1HG2 VAL 42 4.871 -4.132 -15.016 319 2HG2 VAL 42 2HG2 VAL 42 4.116 -4.310 -16.602 320 3HG2 VAL 42 3HG2 VAL 42 3.248 -4.813 -15.148 321 H ALA 43 HN ALA 43 0.292 -2.775 -17.384 322 HA ALA 43 HA ALA 43 -0.702 -0.100 -16.527 323 1HB ALA 43 1HB ALA 43 -1.829 -2.424 -18.106 324 2HB ALA 43 2HB ALA 43 -1.501 -0.786 -18.675 325 3HB ALA 43 3HB ALA 43 -2.841 -1.084 -17.568 326 H HIS 44 HN HIS 44 -1.365 -0.006 -14.419 327 HA HIS 44 HA HIS 44 -2.002 -2.484 -12.936 328 1HB HIS 44 2HB HIS 44 -1.537 0.427 -12.350 329 2HB HIS 44 1HB HIS 44 -2.385 -0.549 -11.155 330 HD1 HIS 44 HD1 HIS 44 0.445 -1.883 -13.320 331 HD2 HIS 44 HD2 HIS 44 -0.261 -0.774 -9.352 332 HE1 HIS 44 HE1 HIS 44 2.477 -2.609 -11.989 333 HE2 HIS 44 HE2 HIS 44 2.057 -1.929 -9.588 334 H ASN 45 HN ASN 45 -3.992 -3.208 -13.547 335 HA ASN 45 HA ASN 45 -6.301 -3.273 -13.927 336 1HB ASN 45 2HB ASN 45 -5.951 -1.890 -11.646 337 2HB ASN 45 1HB ASN 45 -6.681 -0.624 -12.635 338 1HD2 ASN 45 1HD2 ASN 45 -7.320 -3.582 -10.920 339 2HD2 ASN 45 2HD2 ASN 45 -8.950 -3.729 -11.350 340 H GLY 46 HN GLY 46 -4.234 -1.230 -15.421 341 1HA GLY 46 2HA GLY 46 -4.986 -0.774 -17.766 342 2HA GLY 46 1HA GLY 46 -6.419 -0.035 -17.059 343 H CYS 47 HN CYS 47 -3.839 0.810 -15.076 344 HA CYS 47 HA CYS 47 -3.539 3.419 -16.512 345 1HB CYS 47 2HB CYS 47 -4.251 3.371 -14.116 346 2HB CYS 47 1HB CYS 47 -2.736 2.566 -13.705 347 HG CYS 47 HG CYS 47 -2.743 5.417 -14.996 348 H CYS 48 HN CYS 48 -1.876 3.220 -17.982 349 HA CYS 48 HA CYS 48 0.194 1.254 -17.710 350 1HB CYS 48 2HB CYS 48 1.016 2.332 -19.798 351 2HB CYS 48 1HB CYS 48 -0.725 2.040 -19.844 352 HG CYS 48 HG CYS 48 -0.307 4.528 -20.576 353 H LEU 49 HN LEU 49 2.144 1.401 -16.740 354 HA LEU 49 HA LEU 49 3.511 4.019 -16.573 355 1HB LEU 49 2HB LEU 49 4.036 3.424 -14.123 356 2HB LEU 49 1HB LEU 49 2.398 3.977 -14.471 357 HG LEU 49 HG LEU 49 2.775 1.071 -14.774 358 1HD1 LEU 49 1HD1 LEU 49 3.832 0.714 -12.817 359 2HD1 LEU 49 2HD1 LEU 49 2.439 1.419 -11.994 360 3HD1 LEU 49 3HD1 LEU 49 3.808 2.440 -12.447 361 1HD2 LEU 49 1HD2 LEU 49 0.652 2.742 -14.599 362 2HD2 LEU 49 2HD2 LEU 49 0.814 2.305 -12.898 363 3HD2 LEU 49 3HD2 LEU 49 0.564 1.049 -14.110 364 H THR 50 HN THR 50 5.861 3.705 -16.132 365 HA THR 50 HA THR 50 6.726 1.182 -17.424 366 HB THR 50 HB THR 50 8.186 3.787 -16.878 367 HG1 THR 50 HG1 THR 50 6.199 3.678 -18.293 368 1HG2 THR 50 1HG2 THR 50 9.992 2.792 -17.780 369 2HG2 THR 50 2HG2 THR 50 9.059 2.322 -19.199 370 3HG2 THR 50 3HG2 THR 50 9.109 1.265 -17.790 371 H VAL 51 HN VAL 51 8.460 -0.072 -16.618 372 HA VAL 51 HA VAL 51 8.610 -0.262 -13.715 373 HB VAL 51 HB VAL 51 10.166 -1.662 -15.914 374 1HG1 VAL 51 1HG1 VAL 51 11.141 -2.066 -13.742 375 2HG1 VAL 51 2HG1 VAL 51 10.233 -3.503 -14.209 376 3HG1 VAL 51 3HG1 VAL 51 9.555 -2.371 -13.037 377 1HG2 VAL 51 1HG2 VAL 51 7.364 -1.719 -15.214 378 2HG2 VAL 51 2HG2 VAL 51 8.105 -3.301 -14.967 379 3HG2 VAL 51 3HG2 VAL 51 8.205 -2.516 -16.543 380 H THR 52 HN THR 52 9.957 1.055 -12.553 381 HA THR 52 HA THR 52 12.286 2.412 -13.645 382 HB THR 52 HB THR 52 12.564 3.115 -11.333 383 HG1 THR 52 HG1 THR 52 10.554 1.280 -10.600 384 1HG2 THR 52 1HG2 THR 52 10.547 4.243 -11.067 385 2HG2 THR 52 2HG2 THR 52 9.587 2.852 -11.571 386 3HG2 THR 52 3HG2 THR 52 10.472 3.794 -12.772 387 H GLU 53 HN GLU 53 11.720 -0.503 -11.674 388 HA GLU 53 HA GLU 53 14.314 -1.630 -12.505 389 1HB GLU 53 2HB GLU 53 14.914 -0.006 -10.744 390 2HB GLU 53 1HB GLU 53 13.764 -0.769 -9.646 391 1HG GLU 53 2HG GLU 53 15.023 -2.886 -9.790 392 2HG GLU 53 1HG GLU 53 16.177 -2.126 -10.886 393 H ILE 54 HN ILE 54 14.471 -3.875 -11.896 394 HA ILE 54 HA ILE 54 11.915 -5.076 -10.868 395 HB ILE 54 HB ILE 54 14.215 -6.037 -12.593 396 1HG1 ILE 54 2HG1 ILE 54 11.379 -6.496 -13.288 397 2HG1 ILE 54 1HG1 ILE 54 11.864 -4.803 -13.225 398 1HG2 ILE 54 1HG2 ILE 54 12.179 -7.599 -11.030 399 2HG2 ILE 54 2HG2 ILE 54 13.885 -7.957 -11.303 400 3HG2 ILE 54 3HG2 ILE 54 12.715 -8.200 -12.600 401 1HD1 ILE 54 1HD1 ILE 54 13.652 -6.737 -14.651 402 2HD1 ILE 54 2HD1 ILE 54 13.369 -5.026 -14.980 403 3HD1 ILE 54 3HD1 ILE 54 12.165 -6.226 -15.453 404 H ASN 55 HN ASN 55 11.973 -6.088 -8.928 405 HA ASN 55 HA ASN 55 14.615 -6.353 -7.547 406 1HB ASN 55 2HB ASN 55 11.774 -5.834 -6.713 407 2HB ASN 55 1HB ASN 55 12.906 -6.516 -5.546 408 1HD2 ASN 55 1HD2 ASN 55 12.080 -3.619 -7.362 409 2HD2 ASN 55 2HD2 ASN 55 13.240 -2.611 -6.640 410 H GLY 56 HN GLY 56 14.598 -8.403 -9.074 411 1HA GLY 56 2HA GLY 56 14.614 -10.775 -9.043 412 2HA GLY 56 1HA GLY 56 13.835 -10.728 -7.459 413 H ASN 57 HN ASN 57 11.745 -11.418 -7.455 414 HA ASN 57 HA ASN 57 10.258 -11.638 -9.976 415 1HB ASN 57 2HB ASN 57 9.097 -13.186 -8.786 416 2HB ASN 57 1HB ASN 57 10.314 -12.954 -7.552 417 1HD2 ASN 57 1HD2 ASN 57 7.302 -11.433 -8.663 418 2HD2 ASN 57 2HD2 ASN 57 6.712 -11.047 -7.119 419 H HIS 58 HN HIS 58 10.705 -9.352 -7.438 420 HA HIS 58 HA HIS 58 8.155 -7.985 -7.627 421 1HB HIS 58 2HB HIS 58 10.888 -7.454 -6.499 422 2HB HIS 58 1HB HIS 58 9.681 -6.171 -6.510 423 HD1 HIS 58 HD1 HIS 58 10.895 -8.343 -4.154 424 HD2 HIS 58 HD2 HIS 58 7.008 -7.712 -5.531 425 HE1 HIS 58 HE1 HIS 58 9.338 -9.173 -2.339 426 H VAL 59 HN VAL 59 7.915 -5.790 -8.487 427 HA VAL 59 HA VAL 59 10.021 -4.900 -10.364 428 HB VAL 59 HB VAL 59 7.117 -5.433 -11.028 429 1HG1 VAL 59 1HG1 VAL 59 7.327 -4.212 -12.998 430 2HG1 VAL 59 2HG1 VAL 59 9.091 -4.284 -12.963 431 3HG1 VAL 59 3HG1 VAL 59 8.230 -3.199 -11.872 432 1HG2 VAL 59 1HG2 VAL 59 8.095 -7.388 -11.650 433 2HG2 VAL 59 2HG2 VAL 59 9.719 -6.708 -11.522 434 3HG2 VAL 59 3HG2 VAL 59 8.771 -6.464 -12.992 435 H SER 60 HN SER 60 10.428 -2.817 -9.847 436 HA SER 60 HA SER 60 8.465 -1.192 -8.348 437 1HB SER 60 2HB SER 60 11.285 -0.562 -9.260 438 2HB SER 60 1HB SER 60 10.385 0.230 -7.971 439 HG SER 60 HG SER 60 11.959 -1.478 -7.379 440 H PHE 61 HN PHE 61 7.240 0.376 -9.401 441 HA PHE 61 HA PHE 61 8.115 1.196 -12.148 442 1HB PHE 61 2HB PHE 61 5.518 1.437 -12.421 443 2HB PHE 61 1HB PHE 61 6.236 -0.170 -12.489 444 HD1 PHE 61 HD1 PHE 61 4.068 2.091 -10.600 445 HD2 PHE 61 HD2 PHE 61 6.138 -1.676 -10.512 446 HE1 PHE 61 HE1 PHE 61 2.676 1.369 -8.674 447 HE2 PHE 61 HE2 PHE 61 4.750 -2.397 -8.588 448 HZ PHE 61 HZ PHE 61 3.016 -0.876 -7.669 449 H ASP 62 HN ASP 62 7.608 3.390 -12.729 450 HA ASP 62 HA ASP 62 7.886 5.161 -10.408 451 1HB ASP 62 2HB ASP 62 8.532 6.775 -12.096 452 2HB ASP 62 1HB ASP 62 9.231 5.221 -12.551 453 H LEU 63 HN LEU 63 6.629 6.964 -9.956 454 HA LEU 63 HA LEU 63 3.997 7.284 -11.279 455 1HB LEU 63 2HB LEU 63 4.575 5.672 -8.964 456 2HB LEU 63 1HB LEU 63 3.560 7.020 -8.482 457 HG LEU 63 HG LEU 63 2.645 5.902 -10.994 458 1HD1 LEU 63 1HD1 LEU 63 2.050 3.917 -8.931 459 2HD1 LEU 63 2HD1 LEU 63 3.772 3.980 -9.321 460 3HD1 LEU 63 3HD1 LEU 63 2.587 3.677 -10.594 461 1HD2 LEU 63 1HD2 LEU 63 0.585 6.278 -10.032 462 2HD2 LEU 63 2HD2 LEU 63 1.545 7.251 -8.919 463 3HD2 LEU 63 3HD2 LEU 63 1.079 5.609 -8.476 464 H MET 64 HN MET 64 3.991 9.531 -11.497 465 HA MET 64 HA MET 64 5.578 11.243 -9.782 466 1HB MET 64 2HB MET 64 4.909 11.619 -12.194 467 2HB MET 64 1HB MET 64 3.282 11.975 -11.620 468 1HG MET 64 2HG MET 64 4.023 13.881 -10.388 469 2HG MET 64 1HG MET 64 5.716 13.427 -10.573 470 1HE MET 64 1HE MET 64 3.699 16.296 -11.697 471 2HE MET 64 2HE MET 64 2.647 14.884 -11.747 472 3HE MET 64 3HE MET 64 2.990 15.771 -13.230 473 H LYS 65 HN LYS 65 4.925 12.436 -7.987 474 HA LYS 65 HA LYS 65 2.870 11.434 -6.352 475 1HB LYS 65 2HB LYS 65 4.846 12.713 -5.616 476 2HB LYS 65 1HB LYS 65 4.198 14.163 -6.383 477 1HG LYS 65 2HG LYS 65 2.323 14.221 -4.876 478 2HG LYS 65 1HG LYS 65 2.727 12.631 -4.226 479 1HD LYS 65 2HD LYS 65 3.469 14.417 -2.694 480 2HD LYS 65 1HD LYS 65 4.851 13.531 -3.342 481 1HE LYS 65 2HE LYS 65 5.126 15.310 -5.086 482 2HE LYS 65 1HE LYS 65 3.828 16.229 -4.296 483 1HZ LYS 65 1HZ LYS 65 6.492 15.519 -3.256 484 2HZ LYS 65 2HZ LYS 65 5.204 15.757 -2.173 485 3HZ LYS 65 3HZ LYS 65 5.691 17.013 -3.209 486 H GLU 66 HN GLU 66 2.839 14.419 -8.350 487 HA GLU 66 HA GLU 66 0.109 15.092 -7.650 488 1HB GLU 66 2HB GLU 66 1.789 16.710 -8.470 489 2HB GLU 66 1HB GLU 66 1.860 15.856 -10.013 490 1HG GLU 66 2HG GLU 66 -0.532 16.334 -10.392 491 2HG GLU 66 1HG GLU 66 -0.604 17.190 -8.850 492 H THR 67 HN THR 67 1.600 13.329 -10.360 493 HA THR 67 HA THR 67 -0.831 12.812 -11.821 494 HB THR 67 HB THR 67 1.660 11.105 -11.523 495 HG1 THR 67 HG1 THR 67 2.335 12.335 -13.370 496 1HG2 THR 67 1HG2 THR 67 -0.504 10.277 -12.723 497 2HG2 THR 67 2HG2 THR 67 1.048 10.092 -13.541 498 3HG2 THR 67 3HG2 THR 67 -0.032 11.413 -13.987 499 H LEU 68 HN LEU 68 0.742 11.267 -9.054 500 HA LEU 68 HA LEU 68 -0.812 8.895 -8.891 501 1HB LEU 68 2HB LEU 68 1.279 9.400 -7.663 502 2HB LEU 68 1HB LEU 68 0.447 10.666 -6.768 503 HG LEU 68 HG LEU 68 -1.223 8.707 -6.159 504 1HD1 LEU 68 1HD1 LEU 68 -0.367 6.895 -7.393 505 2HD1 LEU 68 2HD1 LEU 68 0.329 6.635 -5.792 506 3HD1 LEU 68 3HD1 LEU 68 1.306 7.350 -7.072 507 1HD2 LEU 68 1HD2 LEU 68 1.113 9.888 -4.981 508 2HD2 LEU 68 2HD2 LEU 68 1.034 8.190 -4.502 509 3HD2 LEU 68 3HD2 LEU 68 -0.325 9.266 -4.171 510 H ARG 69 HN ARG 69 -1.275 12.140 -7.458 511 HA ARG 69 HA ARG 69 -3.846 11.596 -6.244 512 1HB ARG 69 2HB ARG 69 -2.337 13.453 -5.645 513 2HB ARG 69 1HB ARG 69 -2.541 14.141 -7.257 514 1HG ARG 69 2HG ARG 69 -4.960 14.395 -6.847 515 2HG ARG 69 1HG ARG 69 -4.757 13.712 -5.233 516 1HD ARG 69 2HD ARG 69 -3.138 15.570 -4.717 517 2HD ARG 69 1HD ARG 69 -3.569 16.302 -6.275 518 HE ARG 69 HE ARG 69 -5.284 16.204 -3.911 519 1HH1 ARG 69 1HH1 ARG 69 -5.111 16.313 -7.362 520 2HH1 ARG 69 2HH1 ARG 69 -6.682 17.017 -7.545 521 1HH2 ARG 69 1HH2 ARG 69 -7.333 17.120 -4.143 522 2HH2 ARG 69 2HH2 ARG 69 -7.938 17.473 -5.727 523 H ILE 70 HN ILE 70 -2.856 12.896 -9.415 524 HA ILE 70 HA ILE 70 -5.444 13.680 -10.288 525 HB ILE 70 HB ILE 70 -2.828 13.893 -11.070 526 1HG1 ILE 70 2HG1 ILE 70 -5.186 14.444 -12.875 527 2HG1 ILE 70 1HG1 ILE 70 -4.787 15.425 -11.464 528 1HG2 ILE 70 1HG2 ILE 70 -2.641 11.837 -12.253 529 2HG2 ILE 70 2HG2 ILE 70 -2.849 13.079 -13.486 530 3HG2 ILE 70 3HG2 ILE 70 -4.210 12.056 -13.028 531 1HD1 ILE 70 1HD1 ILE 70 -3.826 16.417 -13.502 532 2HD1 ILE 70 2HD1 ILE 70 -2.964 14.915 -13.834 533 3HD1 ILE 70 3HD1 ILE 70 -2.550 15.874 -12.414 534 H THR 71 HN THR 71 -3.580 10.723 -10.814 535 HA THR 71 HA THR 71 -5.796 9.370 -12.184 536 HB THR 71 HB THR 71 -4.197 7.547 -12.322 537 HG1 THR 71 HG1 THR 71 -3.093 8.913 -10.163 538 1HG2 THR 71 1HG2 THR 71 -2.469 10.000 -12.490 539 2HG2 THR 71 2HG2 THR 71 -3.798 9.752 -13.622 540 3HG2 THR 71 3HG2 THR 71 -2.479 8.582 -13.536 541 H ASN 72 HN ASN 72 -5.997 6.954 -11.133 542 HA ASN 72 HA ASN 72 -6.695 7.326 -8.255 543 1HB ASN 72 2HB ASN 72 -8.557 6.534 -9.446 544 2HB ASN 72 1HB ASN 72 -7.570 5.575 -10.538 545 1HD2 ASN 72 1HD2 ASN 72 -8.624 3.562 -10.154 546 2HD2 ASN 72 2HD2 ASN 72 -8.573 2.772 -8.651 547 H LEU 73 HN LEU 73 -3.960 6.905 -9.611 548 HA LEU 73 HA LEU 73 -3.053 4.236 -8.919 549 1HB LEU 73 2HB LEU 73 -1.702 6.912 -9.386 550 2HB LEU 73 1HB LEU 73 -0.815 5.405 -9.164 551 HG LEU 73 HG LEU 73 -2.935 5.792 -11.300 552 1HD1 LEU 73 1HD1 LEU 73 -0.084 5.603 -12.061 553 2HD1 LEU 73 2HD1 LEU 73 -0.549 7.110 -11.273 554 3HD1 LEU 73 3HD1 LEU 73 -1.370 6.595 -12.746 555 1HD2 LEU 73 1HD2 LEU 73 -0.972 3.825 -11.918 556 2HD2 LEU 73 2HD2 LEU 73 -2.680 3.568 -11.560 557 3HD2 LEU 73 3HD2 LEU 73 -1.491 3.534 -10.257 558 H GLY 74 HN GLY 74 -3.027 7.399 -7.251 559 1HA GLY 74 2HA GLY 74 -1.392 6.777 -5.096 560 2HA GLY 74 1HA GLY 74 -2.724 7.918 -4.993 561 H ASP 75 HN ASP 75 -4.510 5.492 -5.795 562 HA ASP 75 HA ASP 75 -5.412 4.967 -3.122 563 1HB ASP 75 2HB ASP 75 -7.058 3.606 -4.258 564 2HB ASP 75 1HB ASP 75 -6.724 5.001 -5.282 565 H LEU 76 HN LEU 76 -3.040 3.407 -5.112 566 HA LEU 76 HA LEU 76 -3.212 0.727 -4.179 567 1HB LEU 76 2HB LEU 76 -0.865 2.410 -5.070 568 2HB LEU 76 1HB LEU 76 -0.826 0.657 -4.925 569 HG LEU 76 HG LEU 76 -2.840 2.131 -6.637 570 1HD1 LEU 76 1HD1 LEU 76 -1.321 1.073 -8.492 571 2HD1 LEU 76 2HD1 LEU 76 -0.081 1.092 -7.238 572 3HD1 LEU 76 3HD1 LEU 76 -0.835 2.601 -7.755 573 1HD2 LEU 76 1HD2 LEU 76 -2.054 -0.655 -7.204 574 2HD2 LEU 76 2HD2 LEU 76 -3.662 0.068 -7.138 575 3HD2 LEU 76 3HD2 LEU 76 -2.857 -0.432 -5.647 576 H LYS 77 HN LYS 77 -2.362 -0.304 -2.429 577 HA LYS 77 HA LYS 77 -0.564 1.171 -0.576 578 1HB LYS 77 2HB LYS 77 -3.217 -0.125 0.116 579 2HB LYS 77 1HB LYS 77 -2.014 0.312 1.331 580 1HG LYS 77 2HG LYS 77 -2.073 2.663 0.474 581 2HG LYS 77 1HG LYS 77 -3.381 2.194 -0.613 582 1HD LYS 77 2HD LYS 77 -3.506 1.821 2.388 583 2HD LYS 77 1HD LYS 77 -4.140 3.246 1.564 584 1HE LYS 77 2HE LYS 77 -5.409 1.474 0.077 585 2HE LYS 77 1HE LYS 77 -5.137 0.412 1.473 586 1HZ LYS 77 1HZ LYS 77 -6.015 2.187 2.904 587 2HZ LYS 77 2HZ LYS 77 -7.174 1.638 1.791 588 3HZ LYS 77 3HZ LYS 77 -6.375 3.114 1.531 589 H VAL 78 HN VAL 78 0.947 -0.219 0.377 590 HA VAL 78 HA VAL 78 1.502 -2.661 -0.923 591 HB VAL 78 HB VAL 78 2.332 -1.850 1.878 592 1HG1 VAL 78 1HG1 VAL 78 3.854 -3.513 1.710 593 2HG1 VAL 78 2HG1 VAL 78 4.340 -2.985 0.097 594 3HG1 VAL 78 3HG1 VAL 78 2.960 -4.079 0.296 595 1HG2 VAL 78 1HG2 VAL 78 3.439 -0.103 1.003 596 2HG2 VAL 78 2HG2 VAL 78 2.576 -0.382 -0.510 597 3HG2 VAL 78 3HG2 VAL 78 4.154 -1.122 -0.243 598 H GLY 79 HN GLY 79 1.321 -4.834 -0.204 599 1HA GLY 79 2HA GLY 79 0.438 -6.606 1.136 600 2HA GLY 79 1HA GLY 79 -0.453 -5.411 2.084 601 H ASP 80 HN ASP 80 -1.135 -4.187 -0.713 602 HA ASP 80 HA ASP 80 -3.566 -5.857 -1.155 603 1HB ASP 80 2HB ASP 80 -3.511 -3.308 -0.801 604 2HB ASP 80 1HB ASP 80 -2.801 -3.211 -2.411 605 H TRP 81 HN TRP 81 -4.142 -6.199 -3.527 606 HA TRP 81 HA TRP 81 -1.655 -6.661 -5.152 607 1HB TRP 81 2HB TRP 81 -4.257 -8.183 -4.881 608 2HB TRP 81 1HB TRP 81 -3.137 -8.472 -6.207 609 HD1 TRP 81 HD1 TRP 81 -2.592 -7.978 -2.398 610 HE1 TRP 81 HE1 TRP 81 -1.051 -9.860 -1.568 611 HE3 TRP 81 HE3 TRP 81 -1.953 -10.579 -6.748 612 HZ2 TRP 81 HZ2 TRP 81 0.272 -12.177 -2.599 613 HZ3 TRP 81 HZ3 TRP 81 -0.548 -12.623 -6.796 614 HH2 TRP 81 HH2 TRP 81 0.564 -13.424 -4.726 615 H VAL 82 HN VAL 82 -1.991 -6.423 -7.501 616 HA VAL 82 HA VAL 82 -4.166 -4.502 -8.204 617 HB VAL 82 HB VAL 82 -2.170 -3.232 -8.103 618 1HG1 VAL 82 1HG1 VAL 82 -0.130 -4.345 -9.479 619 2HG1 VAL 82 2HG1 VAL 82 -0.927 -5.806 -8.897 620 3HG1 VAL 82 3HG1 VAL 82 -0.364 -4.591 -7.748 621 1HG2 VAL 82 1HG2 VAL 82 -1.714 -4.085 -10.912 622 2HG2 VAL 82 2HG2 VAL 82 -1.972 -2.466 -10.259 623 3HG2 VAL 82 3HG2 VAL 82 -3.347 -3.539 -10.519 624 H ASN 83 HN ASN 83 -4.874 -4.617 -10.407 625 HA ASN 83 HA ASN 83 -4.547 -7.212 -11.790 626 1HB ASN 83 2HB ASN 83 -6.286 -4.847 -11.806 627 2HB ASN 83 1HB ASN 83 -5.874 -5.376 -13.428 628 1HD2 ASN 83 1HD2 ASN 83 -5.678 -8.229 -12.853 629 2HD2 ASN 83 2HD2 ASN 83 -7.241 -8.781 -12.497 630 H VAL 84 HN VAL 84 -2.457 -7.329 -12.667 631 HA VAL 84 HA VAL 84 -1.409 -4.867 -13.975 632 HB VAL 84 HB VAL 84 0.735 -6.467 -13.932 633 1HG1 VAL 84 1HG1 VAL 84 -0.259 -5.176 -11.386 634 2HG1 VAL 84 2HG1 VAL 84 0.239 -4.235 -12.795 635 3HG1 VAL 84 3HG1 VAL 84 1.400 -5.286 -11.981 636 1HG2 VAL 84 1HG2 VAL 84 0.770 -7.958 -12.056 637 2HG2 VAL 84 2HG2 VAL 84 -0.690 -8.358 -12.961 638 3HG2 VAL 84 3HG2 VAL 84 -0.801 -7.392 -11.489 639 H GLU 85 HN GLU 85 -0.940 -4.783 -16.083 640 HA GLU 85 HA GLU 85 -1.281 -7.281 -17.726 641 1HB GLU 85 2HB GLU 85 -3.317 -5.829 -17.646 642 2HB GLU 85 1HB GLU 85 -2.359 -4.502 -18.307 643 1HG GLU 85 2HG GLU 85 -1.863 -5.855 -20.312 644 2HG GLU 85 1HG GLU 85 -2.826 -7.180 -19.653 645 H ARG 86 HN ARG 86 0.192 -7.463 -19.427 646 HA ARG 86 HA ARG 86 2.534 -5.743 -19.340 647 1HB ARG 86 2HB ARG 86 2.562 -8.192 -19.709 648 2HB ARG 86 1HB ARG 86 1.696 -7.970 -21.229 649 1HG ARG 86 2HG ARG 86 3.556 -6.594 -22.088 650 2HG ARG 86 1HG ARG 86 4.426 -6.824 -20.573 651 1HD ARG 86 2HD ARG 86 3.542 -9.133 -22.339 652 2HD ARG 86 1HD ARG 86 5.150 -8.399 -22.415 653 HE ARG 86 HE ARG 86 5.634 -9.251 -20.239 654 1HH1 ARG 86 1HH1 ARG 86 2.322 -9.780 -21.151 655 2HH1 ARG 86 2HH1 ARG 86 2.036 -10.915 -19.880 656 1HH2 ARG 86 1HH2 ARG 86 5.240 -10.718 -18.591 657 2HH2 ARG 86 2HH2 ARG 86 3.673 -11.440 -18.434 658 H ALA 87 HN ALA 87 2.857 -3.924 -20.540 659 HA ALA 87 HA ALA 87 1.291 -3.574 -23.073 660 1HB ALA 87 1HB ALA 87 2.378 -1.298 -21.445 661 2HB ALA 87 2HB ALA 87 0.895 -2.097 -20.926 662 3HB ALA 87 3HB ALA 87 0.977 -1.332 -22.513 663 H ALA 88 HN ALA 88 2.462 -2.867 -24.851 664 HA ALA 88 HA ALA 88 5.416 -2.486 -24.507 665 1HB ALA 88 1HB ALA 88 3.956 -4.272 -26.480 666 2HB ALA 88 2HB ALA 88 4.833 -4.829 -25.056 667 3HB ALA 88 3HB ALA 88 5.704 -4.065 -26.385 668 H LYS 89 HN LYS 89 6.423 -1.379 -26.324 669 HA LYS 89 HA LYS 89 4.897 0.806 -27.391 670 1HB LYS 89 2HB LYS 89 7.583 -0.394 -28.134 671 2HB LYS 89 1HB LYS 89 7.019 1.196 -28.648 672 1HG LYS 89 2HG LYS 89 7.451 0.283 -25.789 673 2HG LYS 89 1HG LYS 89 8.434 1.449 -26.676 674 1HD LYS 89 2HD LYS 89 6.244 2.776 -26.993 675 2HD LYS 89 1HD LYS 89 5.588 1.745 -25.720 676 1HE LYS 89 2HE LYS 89 6.984 2.646 -24.084 677 2HE LYS 89 1HE LYS 89 8.225 3.120 -25.263 678 1HZ LYS 89 1HZ LYS 89 7.223 5.127 -24.998 679 2HZ LYS 89 2HZ LYS 89 5.723 4.459 -24.562 680 3HZ LYS 89 3HZ LYS 89 6.193 4.507 -26.194 681 H PHE 90 HN PHE 90 6.003 -2.272 -28.817 682 HA PHE 90 HA PHE 90 4.564 -1.564 -31.340 683 1HB PHE 90 2HB PHE 90 6.075 -3.168 -32.355 684 2HB PHE 90 1HB PHE 90 7.024 -2.118 -31.304 685 HD1 PHE 90 HD1 PHE 90 5.624 -5.495 -31.745 686 HD2 PHE 90 HD2 PHE 90 7.936 -2.932 -29.182 687 HE1 PHE 90 HE1 PHE 90 6.391 -7.475 -30.457 688 HE2 PHE 90 HE2 PHE 90 8.704 -4.911 -27.896 689 HZ PHE 90 HZ PHE 90 7.931 -7.182 -28.533 690 H SER 91 HN SER 91 3.362 -3.337 -32.407 691 HA SER 91 HA SER 91 2.155 -5.230 -30.414 692 1HB SER 91 2HB SER 91 1.001 -3.689 -32.755 693 2HB SER 91 1HB SER 91 0.113 -4.945 -31.896 694 HG SER 91 HG SER 91 0.813 -2.379 -31.117 695 H ASP 92 HN ASP 92 1.830 -7.366 -31.100 696 HA ASP 92 HA ASP 92 3.556 -8.390 -33.166 697 1HB ASP 92 2HB ASP 92 2.795 -9.502 -31.028 698 2HB ASP 92 1HB ASP 92 1.209 -9.711 -31.773 699 H GLU 93 HN GLU 93 0.196 -7.373 -33.138 700 HA GLU 93 HA GLU 93 -0.420 -8.897 -35.575 701 1HB GLU 93 2HB GLU 93 -2.693 -8.135 -35.119 702 2HB GLU 93 1HB GLU 93 -1.954 -8.653 -33.603 703 1HG GLU 93 2HG GLU 93 -1.396 -6.314 -33.065 704 2HG GLU 93 1HG GLU 93 -2.118 -5.787 -34.587 705 H ILE 94 HN ILE 94 1.548 -6.976 -36.034 706 HA ILE 94 HA ILE 94 0.552 -4.580 -37.326 707 HB ILE 94 HB ILE 94 2.980 -6.361 -37.695 708 1HG1 ILE 94 2HG1 ILE 94 2.906 -3.549 -36.600 709 2HG1 ILE 94 1HG1 ILE 94 2.558 -4.932 -35.559 710 1HG2 ILE 94 1HG2 ILE 94 1.963 -4.195 -39.361 711 2HG2 ILE 94 2HG2 ILE 94 3.296 -5.311 -39.665 712 3HG2 ILE 94 3HG2 ILE 94 3.572 -3.839 -38.730 713 1HD1 ILE 94 1HD1 ILE 94 4.926 -5.392 -37.187 714 2HD1 ILE 94 2HD1 ILE 94 4.741 -5.485 -35.436 715 3HD1 ILE 94 3HD1 ILE 94 5.091 -3.937 -36.205 716 H GLY 95 HN GLY 95 1.261 -7.883 -38.483 717 1HA GLY 95 2HA GLY 95 -0.752 -8.440 -40.183 718 2HA GLY 95 1HA GLY 95 0.124 -7.233 -41.127 719 H GLY 96 HN GLY 96 2.208 -7.758 -41.936 720 1HA GLY 96 2HA GLY 96 4.081 -9.169 -42.351 721 2HA GLY 96 1HA GLY 96 3.361 -10.388 -41.298 722 H HIS 97 HN HIS 97 0.817 -9.664 -43.089 723 HA HIS 97 HA HIS 97 1.413 -11.826 -45.060 724 1HB HIS 97 2HB HIS 97 -1.216 -10.625 -44.135 725 2HB HIS 97 1HB HIS 97 -1.008 -12.120 -45.048 726 HD1 HIS 97 HD1 HIS 97 -1.079 -10.791 -41.627 727 HD2 HIS 97 HD2 HIS 97 0.403 -14.207 -43.502 728 HE1 HIS 97 HE1 HIS 97 -0.604 -12.470 -39.789 729 1H MET 1 1HT MET 1 1.160 0.147 -29.717 730 2H MET 1 2HT MET 1 -0.387 -0.358 -30.207 731 3H MET 1 3HT MET 1 0.193 -0.762 -28.662 732 HA MET 1 HA MET 1 0.386 1.922 -28.590 733 1HB MET 1 2HB MET 1 -1.902 1.033 -30.370 734 2HB MET 1 1HB MET 1 -1.843 2.622 -29.609 735 1HG MET 1 2HG MET 1 0.312 3.079 -30.719 736 2HG MET 1 1HG MET 1 0.256 1.490 -31.483 737 1HE MET 1 1HE MET 1 0.719 4.070 -32.985 738 2HE MET 1 2HE MET 1 -0.374 4.038 -34.365 739 3HE MET 1 3HE MET 1 0.500 2.578 -33.910 740 H PHE 2 HN PHE 2 -0.652 2.552 -26.686 741 HA PHE 2 HA PHE 2 -3.130 1.534 -25.746 742 1HB PHE 2 2HB PHE 2 -2.378 -0.041 -24.074 743 2HB PHE 2 1HB PHE 2 -1.653 -0.525 -25.600 744 HD1 PHE 2 HD1 PHE 2 -0.954 1.585 -22.573 745 HD2 PHE 2 HD2 PHE 2 0.666 -0.868 -25.711 746 HE1 PHE 2 HE1 PHE 2 1.300 1.772 -21.556 747 HE2 PHE 2 HE2 PHE 2 2.921 -0.677 -24.690 748 HZ PHE 2 HZ PHE 2 3.237 0.645 -22.618 749 H THR 3 HN THR 3 -3.788 2.879 -24.035 750 HA THR 3 HA THR 3 -1.659 4.597 -22.811 751 HB THR 3 HB THR 3 -3.011 6.514 -23.274 752 HG1 THR 3 HG1 THR 3 -5.159 6.277 -23.958 753 1HG2 THR 3 1HG2 THR 3 -2.161 4.868 -25.341 754 2HG2 THR 3 2HG2 THR 3 -2.734 6.530 -25.520 755 3HG2 THR 3 3HG2 THR 3 -3.849 5.184 -25.751 756 H GLY 4 HN GLY 4 -4.898 3.178 -22.553 757 1HA GLY 4 2HA GLY 4 -6.245 2.771 -20.674 758 2HA GLY 4 1HA GLY 4 -4.719 2.521 -19.821 759 H ILE 5 HN ILE 5 -5.222 5.567 -21.369 760 HA ILE 5 HA ILE 5 -4.953 6.940 -18.798 761 HB ILE 5 HB ILE 5 -5.509 8.030 -21.578 762 1HG1 ILE 5 2HG1 ILE 5 -3.592 6.443 -21.538 763 2HG1 ILE 5 1HG1 ILE 5 -3.085 8.099 -21.865 764 1HG2 ILE 5 1HG2 ILE 5 -5.293 10.033 -20.584 765 2HG2 ILE 5 2HG2 ILE 5 -3.669 9.582 -20.058 766 3HG2 ILE 5 3HG2 ILE 5 -5.062 9.249 -19.021 767 1HD1 ILE 5 1HD1 ILE 5 -1.665 6.855 -20.172 768 2HD1 ILE 5 2HD1 ILE 5 -3.064 6.874 -19.097 769 3HD1 ILE 5 3HD1 ILE 5 -2.321 8.390 -19.605 770 H VAL 6 HN VAL 6 -6.654 7.468 -17.514 771 HA VAL 6 HA VAL 6 -9.367 6.943 -18.413 772 HB VAL 6 HB VAL 6 -7.902 7.589 -15.891 773 1HG1 VAL 6 1HG1 VAL 6 -10.171 7.631 -14.707 774 2HG1 VAL 6 2HG1 VAL 6 -10.879 7.970 -16.284 775 3HG1 VAL 6 3HG1 VAL 6 -9.731 9.104 -15.572 776 1HG2 VAL 6 1HG2 VAL 6 -9.900 5.656 -15.534 777 2HG2 VAL 6 2HG2 VAL 6 -8.180 5.355 -15.794 778 3HG2 VAL 6 3HG2 VAL 6 -9.290 5.386 -17.166 779 H GLN 7 HN GLN 7 -11.028 8.380 -18.738 780 HA GLN 7 HA GLN 7 -10.440 11.113 -19.483 781 1HB GLN 7 2HB GLN 7 -12.962 9.502 -19.006 782 2HB GLN 7 1HB GLN 7 -12.983 11.156 -19.619 783 1HG GLN 7 2HG GLN 7 -11.411 8.920 -20.924 784 2HG GLN 7 1HG GLN 7 -13.047 9.368 -21.411 785 1HE2 GLN 7 1HE2 GLN 7 -10.174 9.726 -22.672 786 2HE2 GLN 7 2HE2 GLN 7 -10.194 11.345 -23.181 787 H GLY 8 HN GLY 8 -11.792 9.568 -16.558 788 1HA GLY 8 2HA GLY 8 -11.387 12.055 -15.039 789 2HA GLY 8 1HA GLY 8 -13.078 11.651 -15.328 790 H THR 9 HN THR 9 -12.397 11.727 -12.739 791 HA THR 9 HA THR 9 -11.827 8.893 -11.954 792 HB THR 9 HB THR 9 -11.259 10.126 -9.740 793 HG1 THR 9 HG1 THR 9 -11.020 12.297 -11.530 794 1HG2 THR 9 1HG2 THR 9 -9.789 9.553 -12.085 795 2HG2 THR 9 2HG2 THR 9 -9.158 9.772 -10.453 796 3HG2 THR 9 3HG2 THR 9 -9.261 11.148 -11.550 797 H ALA 10 HN ALA 10 -12.844 8.407 -9.712 798 HA ALA 10 HA ALA 10 -15.604 9.552 -9.446 799 1HB ALA 10 1HB ALA 10 -16.346 7.698 -10.527 800 2HB ALA 10 2HB ALA 10 -15.846 6.792 -9.100 801 3HB ALA 10 3HB ALA 10 -14.749 6.945 -10.476 802 H LYS 11 HN LYS 11 -16.418 9.348 -7.302 803 HA LYS 11 HA LYS 11 -14.364 8.553 -5.274 804 1HB LYS 11 2HB LYS 11 -15.248 10.847 -5.197 805 2HB LYS 11 1HB LYS 11 -16.887 10.214 -5.105 806 1HG LYS 11 2HG LYS 11 -16.425 9.143 -2.978 807 2HG LYS 11 1HG LYS 11 -14.723 9.595 -3.080 808 1HD LYS 11 2HD LYS 11 -15.120 11.748 -2.451 809 2HD LYS 11 1HD LYS 11 -16.653 11.829 -3.323 810 1HE LYS 11 2HE LYS 11 -17.575 10.236 -1.511 811 2HE LYS 11 1HE LYS 11 -16.124 10.662 -0.582 812 1HZ LYS 11 1HZ LYS 11 -17.857 12.227 -0.068 813 2HZ LYS 11 2HZ LYS 11 -18.121 12.549 -1.715 814 3HZ LYS 11 3HZ LYS 11 -16.665 13.020 -0.977 815 H LEU 12 HN LEU 12 -14.688 6.536 -4.435 816 HA LEU 12 HA LEU 12 -17.164 5.042 -4.530 817 1HB LEU 12 2HB LEU 12 -14.653 4.381 -4.042 818 2HB LEU 12 1HB LEU 12 -15.061 4.803 -2.394 819 HG LEU 12 HG LEU 12 -16.848 3.167 -2.350 820 1HD1 LEU 12 1HD1 LEU 12 -17.882 3.016 -4.395 821 2HD1 LEU 12 2HD1 LEU 12 -16.780 1.652 -4.591 822 3HD1 LEU 12 3HD1 LEU 12 -16.373 3.221 -5.286 823 1HD2 LEU 12 1HD2 LEU 12 -15.068 1.296 -3.595 824 2HD2 LEU 12 2HD2 LEU 12 -15.288 1.607 -1.875 825 3HD2 LEU 12 3HD2 LEU 12 -14.094 2.527 -2.792 826 H VAL 13 HN VAL 13 -18.940 5.404 -3.304 827 HA VAL 13 HA VAL 13 -18.622 7.025 -0.808 828 HB VAL 13 HB VAL 13 -19.474 8.487 -2.451 829 1HG1 VAL 13 1HG1 VAL 13 -20.577 6.074 -3.601 830 2HG1 VAL 13 2HG1 VAL 13 -20.291 7.642 -4.361 831 3HG1 VAL 13 3HG1 VAL 13 -21.801 7.337 -3.500 832 1HG2 VAL 13 1HG2 VAL 13 -21.207 9.192 -1.192 833 2HG2 VAL 13 2HG2 VAL 13 -21.069 7.674 -0.303 834 3HG2 VAL 13 3HG2 VAL 13 -22.177 7.797 -1.668 835 H SER 14 HN SER 14 -20.389 4.529 -2.530 836 HA SER 14 HA SER 14 -21.427 3.561 0.106 837 1HB SER 14 2HB SER 14 -22.911 5.081 -1.539 838 2HB SER 14 1HB SER 14 -23.236 3.506 -2.252 839 HG SER 14 HG SER 14 -23.929 2.787 -0.234 840 H ILE 15 HN ILE 15 -21.480 1.326 0.261 841 HA ILE 15 HA ILE 15 -20.957 -0.241 -2.248 842 HB ILE 15 HB ILE 15 -20.549 -1.148 0.611 843 1HG1 ILE 15 2HG1 ILE 15 -18.623 0.187 -1.306 844 2HG1 ILE 15 1HG1 ILE 15 -19.154 0.786 0.262 845 1HG2 ILE 15 1HG2 ILE 15 -19.872 -2.169 -2.136 846 2HG2 ILE 15 2HG2 ILE 15 -20.564 -3.039 -0.769 847 3HG2 ILE 15 3HG2 ILE 15 -18.849 -2.616 -0.771 848 1HD1 ILE 15 1HD1 ILE 15 -17.023 -0.175 0.691 849 2HD1 ILE 15 2HD1 ILE 15 -17.367 -1.576 -0.322 850 3HD1 ILE 15 3HD1 ILE 15 -18.178 -1.393 1.233 851 H ASP 16 HN ASP 16 -22.581 -1.543 -2.890 852 HA ASP 16 HA ASP 16 -24.786 -2.150 -0.955 853 1HB ASP 16 2HB ASP 16 -24.605 -1.835 -3.946 854 2HB ASP 16 1HB ASP 16 -25.964 -2.686 -3.210 855 H GLU 17 HN GLU 17 -24.482 -4.180 -0.111 856 HA GLU 17 HA GLU 17 -23.007 -6.191 -1.734 857 1HB GLU 17 2HB GLU 17 -22.272 -5.640 0.554 858 2HB GLU 17 1HB GLU 17 -23.859 -6.090 1.177 859 1HG GLU 17 2HG GLU 17 -23.538 -8.392 0.348 860 2HG GLU 17 1HG GLU 17 -21.948 -7.945 -0.273 861 H LYS 18 HN LYS 18 -24.358 -7.409 -3.004 862 HA LYS 18 HA LYS 18 -26.894 -8.444 -1.774 863 1HB LYS 18 2HB LYS 18 -26.231 -8.602 -4.707 864 2HB LYS 18 1HB LYS 18 -27.810 -8.491 -3.935 865 1HG LYS 18 2HG LYS 18 -26.544 -6.133 -3.171 866 2HG LYS 18 1HG LYS 18 -26.041 -6.354 -4.848 867 1HD LYS 18 2HD LYS 18 -28.750 -7.015 -4.870 868 2HD LYS 18 1HD LYS 18 -28.661 -5.628 -3.784 869 1HE LYS 18 2HE LYS 18 -27.235 -4.486 -5.590 870 2HE LYS 18 1HE LYS 18 -27.770 -5.787 -6.673 871 1HZ LYS 18 1HZ LYS 18 -29.464 -4.270 -6.924 872 2HZ LYS 18 2HZ LYS 18 -29.372 -3.723 -5.318 873 3HZ LYS 18 3HZ LYS 18 -30.082 -5.227 -5.667 874 HA PRO 19 HA PRO 19 -24.652 -12.242 -1.329 875 1HB PRO 19 2HB PRO 19 -26.984 -13.835 -1.507 876 2HB PRO 19 1HB PRO 19 -26.247 -13.210 -0.019 877 1HG PRO 19 2HG PRO 19 -28.547 -12.169 -1.570 878 2HG PRO 19 1HG PRO 19 -28.238 -12.116 0.173 879 1HD PRO 19 2HD PRO 19 -27.972 -9.938 -1.374 880 2HD PRO 19 1HD PRO 19 -26.895 -10.237 0.012 881 H ASN 20 HN ASN 20 -27.095 -11.708 -3.836 882 HA ASN 20 HA ASN 20 -26.192 -13.854 -5.592 883 1HB ASN 20 2HB ASN 20 -27.610 -11.289 -6.347 884 2HB ASN 20 1HB ASN 20 -27.759 -12.874 -7.106 885 1HD2 ASN 20 1HD2 ASN 20 -29.128 -10.801 -4.749 886 2HD2 ASN 20 2HD2 ASN 20 -30.147 -11.934 -4.006 887 H PHE 21 HN PHE 21 -25.553 -10.366 -5.293 888 HA PHE 21 HA PHE 21 -23.023 -10.696 -6.819 889 1HB PHE 21 2HB PHE 21 -25.293 -8.837 -7.602 890 2HB PHE 21 1HB PHE 21 -23.716 -8.902 -8.387 891 HD1 PHE 21 HD1 PHE 21 -23.038 -10.877 -9.707 892 HD2 PHE 21 HD2 PHE 21 -26.947 -10.575 -7.946 893 HE1 PHE 21 HE1 PHE 21 -23.832 -12.733 -11.150 894 HE2 PHE 21 HE2 PHE 21 -27.742 -12.431 -9.388 895 HZ PHE 21 HZ PHE 21 -26.184 -13.510 -10.991 896 H ARG 22 HN ARG 22 -21.536 -8.966 -6.381 897 HA ARG 22 HA ARG 22 -22.230 -7.246 -4.064 898 1HB ARG 22 2HB ARG 22 -20.058 -8.495 -4.256 899 2HB ARG 22 1HB ARG 22 -19.666 -7.486 -5.645 900 1HG ARG 22 2HG ARG 22 -19.716 -5.485 -4.306 901 2HG ARG 22 1HG ARG 22 -20.341 -6.375 -2.916 902 1HD ARG 22 2HD ARG 22 -18.261 -7.650 -2.738 903 2HD ARG 22 1HD ARG 22 -17.627 -6.864 -4.199 904 HE ARG 22 HE ARG 22 -18.296 -4.711 -2.663 905 1HH1 ARG 22 1HH1 ARG 22 -16.536 -7.619 -2.036 906 2HH1 ARG 22 2HH1 ARG 22 -15.554 -6.907 -0.802 907 1HH2 ARG 22 1HH2 ARG 22 -17.020 -3.778 -1.054 908 2HH2 ARG 22 2HH2 ARG 22 -15.825 -4.738 -0.248 909 H THR 23 HN THR 23 -22.518 -5.069 -4.260 910 HA THR 23 HA THR 23 -22.420 -3.899 -7.021 911 HB THR 23 HB THR 23 -24.372 -3.482 -4.733 912 HG1 THR 23 HG1 THR 23 -25.695 -4.383 -6.657 913 1HG2 THR 23 1HG2 THR 23 -25.158 -2.564 -7.392 914 2HG2 THR 23 2HG2 THR 23 -23.723 -1.730 -6.796 915 3HG2 THR 23 3HG2 THR 23 -25.211 -1.710 -5.851 916 H HIS 24 HN HIS 24 -21.226 -2.003 -7.155 917 HA HIS 24 HA HIS 24 -20.597 -0.613 -4.573 918 1HB HIS 24 2HB HIS 24 -18.943 -1.838 -6.632 919 2HB HIS 24 1HB HIS 24 -18.501 -0.155 -6.340 920 HD1 HIS 24 HD1 HIS 24 -17.338 -3.190 -5.231 921 HD2 HIS 24 HD2 HIS 24 -18.904 0.053 -3.136 922 HE1 HIS 24 HE1 HIS 24 -16.553 -3.432 -2.832 923 H VAL 25 HN VAL 25 -20.798 1.613 -4.588 924 HA VAL 25 HA VAL 25 -21.623 2.851 -7.191 925 HB VAL 25 HB VAL 25 -22.431 3.679 -4.406 926 1HG1 VAL 25 1HG1 VAL 25 -22.899 4.678 -7.051 927 2HG1 VAL 25 2HG1 VAL 25 -23.492 5.319 -5.519 928 3HG1 VAL 25 3HG1 VAL 25 -24.429 4.103 -6.388 929 1HG2 VAL 25 1HG2 VAL 25 -24.618 2.405 -5.187 930 2HG2 VAL 25 2HG2 VAL 25 -23.303 1.516 -4.419 931 3HG2 VAL 25 3HG2 VAL 25 -23.478 1.491 -6.174 932 H VAL 26 HN VAL 26 -20.544 4.646 -7.819 933 HA VAL 26 HA VAL 26 -18.608 5.888 -5.894 934 HB VAL 26 HB VAL 26 -17.365 6.454 -7.993 935 1HG1 VAL 26 1HG1 VAL 26 -17.392 3.758 -8.659 936 2HG1 VAL 26 2HG1 VAL 26 -17.922 3.768 -6.979 937 3HG1 VAL 26 3HG1 VAL 26 -16.380 4.499 -7.423 938 1HG2 VAL 26 1HG2 VAL 26 -19.722 6.234 -9.260 939 2HG2 VAL 26 2HG2 VAL 26 -19.127 4.597 -9.536 940 3HG2 VAL 26 3HG2 VAL 26 -18.191 5.982 -10.099 941 H GLU 27 HN GLU 27 -18.175 8.271 -6.558 942 HA GLU 27 HA GLU 27 -20.775 9.626 -7.125 943 1HB GLU 27 2HB GLU 27 -19.083 9.838 -5.039 944 2HB GLU 27 1HB GLU 27 -18.324 10.984 -6.138 945 1HG GLU 27 2HG GLU 27 -20.223 12.372 -6.205 946 2HG GLU 27 1HG GLU 27 -21.283 11.101 -5.599 947 H LEU 28 HN LEU 28 -20.931 10.291 -9.196 948 HA LEU 28 HA LEU 28 -18.598 10.302 -10.922 949 1HB LEU 28 2HB LEU 28 -21.205 9.636 -11.106 950 2HB LEU 28 1HB LEU 28 -21.281 11.260 -11.776 951 HG LEU 28 HG LEU 28 -19.630 10.697 -13.470 952 1HD1 LEU 28 1HD1 LEU 28 -18.078 9.251 -12.510 953 2HD1 LEU 28 2HD1 LEU 28 -19.015 8.115 -13.482 954 3HD1 LEU 28 3HD1 LEU 28 -19.322 8.258 -11.751 955 1HD2 LEU 28 1HD2 LEU 28 -22.161 9.784 -13.469 956 2HD2 LEU 28 2HD2 LEU 28 -21.316 8.237 -13.527 957 3HD2 LEU 28 3HD2 LEU 28 -21.044 9.438 -14.787 958 HA PRO 29 HA PRO 29 -17.808 14.643 -10.350 959 1HB PRO 29 2HB PRO 29 -16.051 14.884 -12.453 960 2HB PRO 29 1HB PRO 29 -15.605 14.293 -10.845 961 1HG PRO 29 2HG PRO 29 -16.136 12.773 -13.335 962 2HG PRO 29 1HG PRO 29 -14.989 12.442 -12.029 963 1HD PRO 29 2HD PRO 29 -17.340 11.108 -12.335 964 2HD PRO 29 1HD PRO 29 -16.545 11.344 -10.764 965 H ASP 30 HN ASP 30 -17.675 16.592 -12.001 966 HA ASP 30 HA ASP 30 -20.238 16.844 -13.178 967 1HB ASP 30 2HB ASP 30 -19.291 18.968 -14.041 968 2HB ASP 30 1HB ASP 30 -18.826 18.689 -12.363 969 H HIS 31 HN HIS 31 -17.090 16.123 -14.714 970 HA HIS 31 HA HIS 31 -18.346 16.187 -17.373 971 1HB HIS 31 2HB HIS 31 -16.048 15.911 -18.146 972 2HB HIS 31 1HB HIS 31 -16.092 17.121 -16.869 973 HD1 HIS 31 HD1 HIS 31 -16.459 14.380 -14.839 974 HD2 HIS 31 HD2 HIS 31 -13.264 15.616 -17.209 975 HE1 HIS 31 HE1 HIS 31 -14.387 13.281 -13.882 976 H MET 32 HN MET 32 -18.249 13.879 -15.005 977 HA MET 32 HA MET 32 -18.312 11.659 -17.024 978 1HB MET 32 2HB MET 32 -17.900 11.685 -14.018 979 2HB MET 32 1HB MET 32 -18.056 10.212 -14.976 980 1HG MET 32 2HG MET 32 -15.970 12.351 -15.476 981 2HG MET 32 1HG MET 32 -15.672 10.875 -14.557 982 1HE MET 32 1HE MET 32 -17.164 8.664 -15.790 983 2HE MET 32 2HE MET 32 -15.434 8.562 -15.474 984 3HE MET 32 3HE MET 32 -16.071 8.030 -17.028 985 H LEU 33 HN LEU 33 -20.122 13.633 -14.868 986 HA LEU 33 HA LEU 33 -22.427 11.935 -14.442 987 1HB LEU 33 2HB LEU 33 -21.793 14.883 -14.390 988 2HB LEU 33 1HB LEU 33 -23.453 14.330 -14.175 989 HG LEU 33 HG LEU 33 -21.186 13.186 -12.528 990 1HD1 LEU 33 1HD1 LEU 33 -21.013 15.135 -11.412 991 2HD1 LEU 33 2HD1 LEU 33 -22.721 15.008 -10.988 992 3HD1 LEU 33 3HD1 LEU 33 -22.237 15.869 -12.449 993 1HD2 LEU 33 1HD2 LEU 33 -22.997 12.544 -11.052 994 2HD2 LEU 33 2HD2 LEU 33 -23.413 12.025 -12.686 995 3HD2 LEU 33 3HD2 LEU 33 -24.158 13.470 -12.003 996 H ASP 34 HN ASP 34 -21.253 13.889 -17.086 997 HA ASP 34 HA ASP 34 -23.849 13.867 -18.498 998 1HB ASP 34 2HB ASP 34 -21.089 15.015 -18.948 999 2HB ASP 34 1HB ASP 34 -22.359 15.142 -20.170 1000 H GLY 35 HN GLY 35 -24.348 12.367 -20.060 1001 1HA GLY 35 2HA GLY 35 -23.879 10.995 -21.963 1002 2HA GLY 35 1HA GLY 35 -22.166 11.046 -21.548 1003 H LEU 36 HN LEU 36 -22.340 10.211 -18.838 1004 HA LEU 36 HA LEU 36 -22.421 7.357 -19.228 1005 1HB LEU 36 2HB LEU 36 -21.064 8.885 -17.607 1006 2HB LEU 36 1HB LEU 36 -22.481 8.766 -16.562 1007 HG LEU 36 HG LEU 36 -21.288 6.270 -17.735 1008 1HD1 LEU 36 1HD1 LEU 36 -19.393 7.441 -16.712 1009 2HD1 LEU 36 2HD1 LEU 36 -19.870 6.076 -15.702 1010 3HD1 LEU 36 3HD1 LEU 36 -20.331 7.716 -15.245 1011 1HD2 LEU 36 1HD2 LEU 36 -23.105 7.062 -15.501 1012 2HD2 LEU 36 2HD2 LEU 36 -22.082 5.648 -15.249 1013 3HD2 LEU 36 3HD2 LEU 36 -23.212 5.688 -16.602 1014 H GLU 37 HN GLU 37 -23.929 5.838 -18.409 1015 HA GLU 37 HA GLU 37 -26.398 6.771 -17.081 1016 1HB GLU 37 2HB GLU 37 -27.782 5.955 -18.973 1017 2HB GLU 37 1HB GLU 37 -26.704 7.254 -19.484 1018 1HG GLU 37 2HG GLU 37 -25.078 5.538 -20.286 1019 2HG GLU 37 1HG GLU 37 -26.248 4.283 -19.874 1020 H THR 38 HN THR 38 -27.831 4.810 -16.610 1021 HA THR 38 HA THR 38 -26.275 2.671 -15.516 1022 HB THR 38 HB THR 38 -28.848 1.740 -15.701 1023 HG1 THR 38 HG1 THR 38 -29.659 3.477 -16.754 1024 1HG2 THR 38 1HG2 THR 38 -27.382 3.494 -13.775 1025 2HG2 THR 38 2HG2 THR 38 -27.922 1.827 -13.579 1026 3HG2 THR 38 3HG2 THR 38 -29.087 3.149 -13.489 1027 H GLY 39 HN GLY 39 -26.029 0.494 -16.268 1028 1HA GLY 39 2HA GLY 39 -26.011 -1.259 -17.872 1029 2HA GLY 39 1HA GLY 39 -27.054 -0.290 -18.911 1030 H ALA 40 HN ALA 40 -24.744 1.810 -17.980 1031 HA ALA 40 HA ALA 40 -23.236 1.638 -20.487 1032 1HB ALA 40 1HB ALA 40 -22.106 3.623 -19.416 1033 2HB ALA 40 2HB ALA 40 -23.071 3.324 -17.967 1034 3HB ALA 40 3HB ALA 40 -23.863 3.773 -19.480 1035 H SER 41 HN SER 41 -20.825 1.381 -20.454 1036 HA SER 41 HA SER 41 -19.970 -0.461 -18.266 1037 1HB SER 41 2HB SER 41 -18.014 -0.589 -20.114 1038 2HB SER 41 1HB SER 41 -19.489 -1.540 -20.235 1039 HG SER 41 HG SER 41 -20.223 -0.237 -21.766 1040 H VAL 42 HN VAL 42 -18.931 0.595 -16.646 1041 HA VAL 42 HA VAL 42 -17.162 2.911 -17.310 1042 HB VAL 42 HB VAL 42 -18.718 1.955 -14.951 1043 1HG1 VAL 42 1HG1 VAL 42 -17.126 3.623 -13.618 1044 2HG1 VAL 42 2HG1 VAL 42 -15.934 2.977 -14.746 1045 3HG1 VAL 42 3HG1 VAL 42 -16.819 1.887 -13.680 1046 1HG2 VAL 42 1HG2 VAL 42 -18.758 4.139 -16.614 1047 2HG2 VAL 42 2HG2 VAL 42 -17.897 4.755 -15.201 1048 3HG2 VAL 42 3HG2 VAL 42 -19.516 4.076 -15.021 1049 H ALA 43 HN ALA 43 -14.992 2.525 -17.375 1050 HA ALA 43 HA ALA 43 -13.964 -0.061 -16.310 1051 1HB ALA 43 1HB ALA 43 -11.870 0.793 -17.514 1052 2HB ALA 43 2HB ALA 43 -12.872 2.114 -18.114 1053 3HB ALA 43 3HB ALA 43 -13.257 0.449 -18.548 1054 H HIS 44 HN HIS 44 -13.231 0.033 -14.226 1055 HA HIS 44 HA HIS 44 -12.554 2.640 -12.999 1056 1HB HIS 44 2HB HIS 44 -12.989 -0.207 -12.134 1057 2HB HIS 44 1HB HIS 44 -12.105 0.876 -11.062 1058 HD1 HIS 44 HD1 HIS 44 -15.010 2.005 -13.244 1059 HD2 HIS 44 HD2 HIS 44 -14.170 1.263 -9.216 1060 HE1 HIS 44 HE1 HIS 44 -17.000 2.850 -11.917 1061 HE2 HIS 44 HE2 HIS 44 -16.499 2.384 -9.482 1062 H ASN 45 HN ASN 45 -10.592 3.301 -13.751 1063 HA ASN 45 HA ASN 45 -8.291 3.334 -14.204 1064 1HB ASN 45 2HB ASN 45 -8.563 2.168 -11.791 1065 2HB ASN 45 1HB ASN 45 -7.863 0.815 -12.682 1066 1HD2 ASN 45 1HD2 ASN 45 -7.175 3.915 -11.268 1067 2HD2 ASN 45 2HD2 ASN 45 -5.558 4.020 -11.757 1068 H GLY 46 HN GLY 46 -10.401 1.166 -15.430 1069 1HA GLY 46 2HA GLY 46 -9.730 0.497 -17.747 1070 2HA GLY 46 1HA GLY 46 -8.269 -0.171 -17.029 1071 H CYS 47 HN CYS 47 -10.787 -0.830 -14.897 1072 HA CYS 47 HA CYS 47 -11.118 -3.563 -16.071 1073 1HB CYS 47 2HB CYS 47 -10.328 -3.298 -13.714 1074 2HB CYS 47 1HB CYS 47 -11.829 -2.460 -13.327 1075 HG CYS 47 HG CYS 47 -11.691 -5.470 -14.165 1076 H CYS 48 HN CYS 48 -12.828 -3.500 -17.496 1077 HA CYS 48 HA CYS 48 -14.895 -1.518 -17.337 1078 1HB CYS 48 2HB CYS 48 -15.780 -2.782 -19.291 1079 2HB CYS 48 1HB CYS 48 -14.043 -2.496 -19.417 1080 HG CYS 48 HG CYS 48 -14.255 -5.005 -19.876 1081 H LEU 49 HN LEU 49 -16.813 -1.572 -16.302 1082 HA LEU 49 HA LEU 49 -18.164 -4.168 -15.844 1083 1HB LEU 49 2HB LEU 49 -18.610 -3.352 -13.441 1084 2HB LEU 49 1HB LEU 49 -16.983 -3.935 -13.791 1085 HG LEU 49 HG LEU 49 -17.376 -1.069 -14.346 1086 1HD1 LEU 49 1HD1 LEU 49 -16.950 -1.277 -11.524 1087 2HD1 LEU 49 2HD1 LEU 49 -18.427 -2.156 -11.925 1088 3HD1 LEU 49 3HD1 LEU 49 -18.263 -0.457 -12.371 1089 1HD2 LEU 49 1HD2 LEU 49 -15.146 -0.996 -13.786 1090 2HD2 LEU 49 2HD2 LEU 49 -15.249 -2.734 -14.066 1091 3HD2 LEU 49 3HD2 LEU 49 -15.350 -2.099 -12.425 1092 H THR 50 HN THR 50 -20.499 -3.816 -15.359 1093 HA THR 50 HA THR 50 -21.415 -1.421 -16.844 1094 HB THR 50 HB THR 50 -22.847 -3.965 -16.014 1095 HG1 THR 50 HG1 THR 50 -22.437 -4.155 -18.474 1096 1HG2 THR 50 1HG2 THR 50 -24.396 -3.340 -17.858 1097 2HG2 THR 50 2HG2 THR 50 -23.510 -1.830 -18.066 1098 3HG2 THR 50 3HG2 THR 50 -24.386 -2.139 -16.567 1099 H VAL 51 HN VAL 51 -23.133 -0.098 -16.099 1100 HA VAL 51 HA VAL 51 -23.178 0.355 -13.221 1101 HB VAL 51 HB VAL 51 -24.810 1.552 -15.482 1102 1HG1 VAL 51 1HG1 VAL 51 -24.426 3.555 -13.737 1103 2HG1 VAL 51 2HG1 VAL 51 -24.399 2.197 -12.610 1104 3HG1 VAL 51 3HG1 VAL 51 -25.809 2.466 -13.634 1105 1HG2 VAL 51 1HG2 VAL 51 -22.636 1.921 -16.177 1106 2HG2 VAL 51 2HG2 VAL 51 -22.010 2.005 -14.529 1107 3HG2 VAL 51 3HG2 VAL 51 -22.937 3.352 -15.191 1108 H THR 52 HN THR 52 -24.477 -0.848 -11.895 1109 HA THR 52 HA THR 52 -26.840 -2.300 -12.784 1110 HB THR 52 HB THR 52 -27.042 -2.788 -10.410 1111 HG1 THR 52 HG1 THR 52 -26.714 -0.685 -9.645 1112 1HG2 THR 52 1HG2 THR 52 -24.228 -2.645 -11.478 1113 2HG2 THR 52 2HG2 THR 52 -25.291 -4.047 -11.349 1114 3HG2 THR 52 3HG2 THR 52 -24.577 -3.344 -9.897 1115 H GLU 53 HN GLU 53 -26.227 0.780 -11.103 1116 HA GLU 53 HA GLU 53 -28.843 1.828 -11.950 1117 1HB GLU 53 2HB GLU 53 -29.382 0.371 -10.031 1118 2HB GLU 53 1HB GLU 53 -28.198 1.231 -9.045 1119 1HG GLU 53 2HG GLU 53 -29.467 3.326 -9.338 1120 2HG GLU 53 1HG GLU 53 -30.654 2.469 -10.323 1121 H ILE 54 HN ILE 54 -28.986 4.118 -11.543 1122 HA ILE 54 HA ILE 54 -26.405 5.411 -10.710 1123 HB ILE 54 HB ILE 54 -28.760 6.208 -12.442 1124 1HG1 ILE 54 2HG1 ILE 54 -25.950 6.603 -13.269 1125 2HG1 ILE 54 1HG1 ILE 54 -26.429 4.922 -13.038 1126 1HG2 ILE 54 1HG2 ILE 54 -28.442 8.283 -11.516 1127 2HG2 ILE 54 2HG2 ILE 54 -27.095 8.325 -12.654 1128 3HG2 ILE 54 3HG2 ILE 54 -26.810 7.900 -10.967 1129 1HD1 ILE 54 1HD1 ILE 54 -28.270 6.716 -14.570 1130 2HD1 ILE 54 2HD1 ILE 54 -27.988 4.984 -14.755 1131 3HD1 ILE 54 3HD1 ILE 54 -26.808 6.141 -15.373 1132 H ASN 55 HN ASN 55 -26.391 6.593 -8.872 1133 HA ASN 55 HA ASN 55 -28.995 6.982 -7.438 1134 1HB ASN 55 2HB ASN 55 -26.127 6.542 -6.651 1135 2HB ASN 55 1HB ASN 55 -27.224 7.328 -5.515 1136 1HD2 ASN 55 1HD2 ASN 55 -26.447 4.279 -7.087 1137 2HD2 ASN 55 2HD2 ASN 55 -27.576 3.338 -6.238 1138 H GLY 56 HN GLY 56 -29.034 8.884 -9.144 1139 1HA GLY 56 2HA GLY 56 -29.058 11.250 -9.327 1140 2HA GLY 56 1HA GLY 56 -28.226 11.347 -7.772 1141 H ASN 57 HN ASN 57 -26.139 12.034 -7.900 1142 HA ASN 57 HA ASN 57 -24.737 12.024 -10.477 1143 1HB ASN 57 2HB ASN 57 -23.542 13.675 -9.473 1144 2HB ASN 57 1HB ASN 57 -24.717 13.556 -8.182 1145 1HD2 ASN 57 1HD2 ASN 57 -21.738 11.942 -9.250 1146 2HD2 ASN 57 2HD2 ASN 57 -21.097 11.696 -7.699 1147 H HIS 58 HN HIS 58 -25.089 9.984 -7.730 1148 HA HIS 58 HA HIS 58 -22.547 8.600 -7.877 1149 1HB HIS 58 2HB HIS 58 -25.239 8.175 -6.615 1150 2HB HIS 58 1HB HIS 58 -24.029 6.896 -6.550 1151 HD1 HIS 58 HD1 HIS 58 -25.171 9.272 -4.363 1152 HD2 HIS 58 HD2 HIS 58 -21.329 8.519 -5.805 1153 HE1 HIS 58 HE1 HIS 58 -23.559 10.263 -2.681 1154 H VAL 59 HN VAL 59 -22.323 6.333 -8.542 1155 HA VAL 59 HA VAL 59 -24.493 5.280 -10.260 1156 HB VAL 59 HB VAL 59 -21.614 5.747 -11.067 1157 1HG1 VAL 59 1HG1 VAL 59 -23.537 3.702 -11.913 1158 2HG1 VAL 59 2HG1 VAL 59 -21.807 3.815 -12.239 1159 3HG1 VAL 59 3HG1 VAL 59 -22.955 4.693 -13.251 1160 1HG2 VAL 59 1HG2 VAL 59 -22.615 7.639 -11.830 1161 2HG2 VAL 59 2HG2 VAL 59 -24.234 6.976 -11.586 1162 3HG2 VAL 59 3HG2 VAL 59 -23.335 6.598 -13.060 1163 H SER 60 HN SER 60 -24.890 3.252 -9.550 1164 HA SER 60 HA SER 60 -22.862 1.772 -7.967 1165 1HB SER 60 2HB SER 60 -25.708 1.058 -8.723 1166 2HB SER 60 1HB SER 60 -24.763 0.387 -7.397 1167 HG SER 60 HG SER 60 -26.144 1.995 -6.627 1168 H PHE 61 HN PHE 61 -21.665 0.109 -8.897 1169 HA PHE 61 HA PHE 61 -22.629 -0.954 -11.540 1170 1HB PHE 61 2HB PHE 61 -20.042 -1.218 -11.880 1171 2HB PHE 61 1HB PHE 61 -20.766 0.376 -12.068 1172 HD1 PHE 61 HD1 PHE 61 -18.530 -1.704 -10.055 1173 HD2 PHE 61 HD2 PHE 61 -20.606 2.056 -10.242 1174 HE1 PHE 61 HE1 PHE 61 -17.078 -0.811 -8.250 1175 HE2 PHE 61 HE2 PHE 61 -19.156 2.948 -8.439 1176 HZ PHE 61 HZ PHE 61 -17.390 1.516 -7.442 1177 H ASP 62 HN ASP 62 -22.135 -3.198 -11.935 1178 HA ASP 62 HA ASP 62 -22.330 -4.746 -9.458 1179 1HB ASP 62 2HB ASP 62 -23.025 -6.505 -10.971 1180 2HB ASP 62 1HB ASP 62 -23.740 -5.000 -11.542 1181 H LEU 63 HN LEU 63 -21.056 -6.503 -8.886 1182 HA LEU 63 HA LEU 63 -18.466 -6.938 -10.260 1183 1HB LEU 63 2HB LEU 63 -18.972 -5.123 -8.083 1184 2HB LEU 63 1HB LEU 63 -17.935 -6.422 -7.516 1185 HG LEU 63 HG LEU 63 -17.109 -5.536 -10.148 1186 1HD1 LEU 63 1HD1 LEU 63 -18.180 -3.470 -8.604 1187 2HD1 LEU 63 2HD1 LEU 63 -17.062 -3.285 -9.958 1188 3HD1 LEU 63 3HD1 LEU 63 -16.442 -3.369 -8.309 1189 1HD2 LEU 63 1HD2 LEU 63 -15.470 -5.024 -7.709 1190 2HD2 LEU 63 2HD2 LEU 63 -15.015 -5.807 -9.223 1191 3HD2 LEU 63 3HD2 LEU 63 -15.932 -6.698 -8.011 1192 H MET 64 HN MET 64 -18.460 -9.196 -10.273 1193 HA MET 64 HA MET 64 -19.983 -10.745 -8.358 1194 1HB MET 64 2HB MET 64 -19.393 -11.338 -10.747 1195 2HB MET 64 1HB MET 64 -17.748 -11.641 -10.198 1196 1HG MET 64 2HG MET 64 -18.442 -13.426 -8.775 1197 2HG MET 64 1HG MET 64 -20.141 -12.990 -8.943 1198 1HE MET 64 1HE MET 64 -17.966 -15.578 -9.550 1199 2HE MET 64 2HE MET 64 -16.983 -14.546 -10.588 1200 3HE MET 64 3HE MET 64 -17.810 -15.943 -11.274 1201 H LYS 65 HN LYS 65 -19.267 -11.768 -6.486 1202 HA LYS 65 HA LYS 65 -17.165 -10.621 -5.018 1203 1HB LYS 65 2HB LYS 65 -19.110 -11.830 -4.102 1204 2HB LYS 65 1HB LYS 65 -18.483 -13.343 -4.757 1205 1HG LYS 65 2HG LYS 65 -16.560 -13.262 -3.312 1206 2HG LYS 65 1HG LYS 65 -16.949 -11.621 -2.796 1207 1HD LYS 65 2HD LYS 65 -17.635 -13.260 -1.085 1208 2HD LYS 65 1HD LYS 65 -19.038 -12.436 -1.765 1209 1HE LYS 65 2HE LYS 65 -19.366 -14.368 -3.329 1210 2HE LYS 65 1HE LYS 65 -18.040 -15.210 -2.503 1211 1HZ LYS 65 1HZ LYS 65 -20.550 -14.202 -1.271 1212 2HZ LYS 65 2HZ LYS 65 -19.235 -14.820 -0.391 1213 3HZ LYS 65 3HZ LYS 65 -20.094 -15.825 -1.457 1214 H GLU 66 HN GLU 66 -17.189 -13.777 -6.736 1215 HA GLU 66 HA GLU 66 -14.436 -14.383 -6.067 1216 1HB GLU 66 2HB GLU 66 -16.138 -16.067 -6.682 1217 2HB GLU 66 1HB GLU 66 -16.261 -15.358 -8.292 1218 1HG GLU 66 2HG GLU 66 -13.883 -15.869 -8.705 1219 2HG GLU 66 1HG GLU 66 -13.757 -16.581 -7.096 1220 H THR 67 HN THR 67 -16.021 -12.874 -8.877 1221 HA THR 67 HA THR 67 -13.641 -12.491 -10.459 1222 HB THR 67 HB THR 67 -16.127 -10.765 -10.233 1223 HG1 THR 67 HG1 THR 67 -15.583 -13.195 -11.560 1224 1HG2 THR 67 1HG2 THR 67 -14.190 -11.257 -12.512 1225 2HG2 THR 67 2HG2 THR 67 -14.285 -9.785 -11.543 1226 3HG2 THR 67 3HG2 THR 67 -15.631 -10.242 -12.588 1227 H LEU 68 HN LEU 68 -15.139 -10.703 -7.791 1228 HA LEU 68 HA LEU 68 -13.575 -8.325 -7.898 1229 1HB LEU 68 2HB LEU 68 -15.623 -8.713 -6.559 1230 2HB LEU 68 1HB LEU 68 -14.760 -9.895 -5.582 1231 HG LEU 68 HG LEU 68 -13.076 -7.890 -5.209 1232 1HD1 LEU 68 1HD1 LEU 68 -13.968 -6.192 -6.565 1233 2HD1 LEU 68 2HD1 LEU 68 -14.628 -5.795 -4.979 1234 3HD1 LEU 68 3HD1 LEU 68 -15.631 -6.621 -6.168 1235 1HD2 LEU 68 1HD2 LEU 68 -15.224 -9.048 -3.807 1236 2HD2 LEU 68 2HD2 LEU 68 -15.416 -7.306 -3.601 1237 3HD2 LEU 68 3HD2 LEU 68 -13.909 -8.091 -3.122 1238 H ARG 69 HN ARG 69 -13.053 -11.428 -6.200 1239 HA ARG 69 HA ARG 69 -10.448 -10.773 -5.118 1240 1HB ARG 69 2HB ARG 69 -11.930 -12.569 -4.303 1241 2HB ARG 69 1HB ARG 69 -11.777 -13.402 -5.851 1242 1HG ARG 69 2HG ARG 69 -9.345 -13.616 -5.499 1243 2HG ARG 69 1HG ARG 69 -9.498 -12.789 -3.947 1244 1HD ARG 69 2HD ARG 69 -11.093 -14.592 -3.212 1245 2HD ARG 69 1HD ARG 69 -10.711 -15.463 -4.710 1246 HE ARG 69 HE ARG 69 -8.920 -15.151 -2.423 1247 1HH1 ARG 69 1HH1 ARG 69 -9.205 -15.572 -5.842 1248 2HH1 ARG 69 2HH1 ARG 69 -7.640 -16.290 -6.012 1249 1HH2 ARG 69 1HH2 ARG 69 -6.877 -16.084 -2.639 1250 2HH2 ARG 69 2HH2 ARG 69 -6.324 -16.579 -4.203 1251 H ILE 70 HN ILE 70 -11.547 -12.358 -8.122 1252 HA ILE 70 HA ILE 70 -8.978 -13.218 -9.005 1253 HB ILE 70 HB ILE 70 -11.618 -13.502 -9.679 1254 1HG1 ILE 70 2HG1 ILE 70 -9.317 -14.213 -11.502 1255 2HG1 ILE 70 1HG1 ILE 70 -9.667 -15.061 -9.995 1256 1HG2 ILE 70 1HG2 ILE 70 -11.854 -11.564 -11.038 1257 2HG2 ILE 70 2HG2 ILE 70 -11.674 -12.911 -12.159 1258 3HG2 ILE 70 3HG2 ILE 70 -10.307 -11.845 -11.837 1259 1HD1 ILE 70 1HD1 ILE 70 -11.996 -15.483 -10.866 1260 2HD1 ILE 70 2HD1 ILE 70 -10.727 -16.291 -11.785 1261 3HD1 ILE 70 3HD1 ILE 70 -11.473 -14.823 -12.416 1262 H THR 71 HN THR 71 -10.880 -10.320 -9.733 1263 HA THR 71 HA THR 71 -8.703 -9.098 -11.296 1264 HB THR 71 HB THR 71 -10.309 -7.293 -11.546 1265 HG1 THR 71 HG1 THR 71 -11.897 -8.609 -9.610 1266 1HG2 THR 71 1HG2 THR 71 -12.030 -9.758 -11.433 1267 2HG2 THR 71 2HG2 THR 71 -10.744 -9.602 -12.631 1268 3HG2 THR 71 3HG2 THR 71 -12.068 -8.436 -12.599 1269 H ASN 72 HN ASN 72 -8.474 -6.596 -10.475 1270 HA ASN 72 HA ASN 72 -7.681 -6.705 -7.601 1271 1HB ASN 72 2HB ASN 72 -5.860 -6.025 -8.915 1272 2HB ASN 72 1HB ASN 72 -6.880 -5.174 -10.063 1273 1HD2 ASN 72 1HD2 ASN 72 -5.835 -3.115 -9.901 1274 2HD2 ASN 72 2HD2 ASN 72 -5.835 -2.201 -8.467 1275 H LEU 73 HN LEU 73 -10.460 -6.409 -8.898 1276 HA LEU 73 HA LEU 73 -11.349 -3.688 -8.422 1277 1HB LEU 73 2HB LEU 73 -12.709 -6.395 -8.597 1278 2HB LEU 73 1HB LEU 73 -13.589 -4.871 -8.485 1279 HG LEU 73 HG LEU 73 -11.542 -5.454 -10.646 1280 1HD1 LEU 73 1HD1 LEU 73 -13.908 -6.775 -10.428 1281 2HD1 LEU 73 2HD1 LEU 73 -13.156 -6.370 -11.970 1282 3HD1 LEU 73 3HD1 LEU 73 -14.426 -5.339 -11.310 1283 1HD2 LEU 73 1HD2 LEU 73 -13.165 -3.565 -11.648 1284 2HD2 LEU 73 2HD2 LEU 73 -11.764 -3.156 -10.660 1285 3HD2 LEU 73 3HD2 LEU 73 -13.371 -3.202 -9.935 1286 H GLY 74 HN GLY 74 -11.313 -6.688 -6.474 1287 1HA GLY 74 2HA GLY 74 -12.878 -5.870 -4.332 1288 2HA GLY 74 1HA GLY 74 -11.540 -6.998 -4.170 1289 H ASP 75 HN ASP 75 -9.788 -4.655 -5.247 1290 HA ASP 75 HA ASP 75 -8.800 -3.888 -2.663 1291 1HB ASP 75 2HB ASP 75 -7.196 -2.636 -3.973 1292 2HB ASP 75 1HB ASP 75 -7.560 -4.118 -4.855 1293 H LEU 76 HN LEU 76 -11.240 -2.516 -4.709 1294 HA LEU 76 HA LEU 76 -11.046 0.238 -4.028 1295 1HB LEU 76 2HB LEU 76 -13.416 -1.520 -4.685 1296 2HB LEU 76 1HB LEU 76 -13.456 0.240 -4.698 1297 HG LEU 76 HG LEU 76 -11.496 -1.385 -6.336 1298 1HD1 LEU 76 1HD1 LEU 76 -13.171 -0.333 -8.169 1299 2HD1 LEU 76 2HD1 LEU 76 -14.314 -0.575 -6.847 1300 3HD1 LEU 76 3HD1 LEU 76 -13.404 -1.943 -7.487 1301 1HD2 LEU 76 1HD2 LEU 76 -10.663 0.622 -6.984 1302 2HD2 LEU 76 2HD2 LEU 76 -11.518 1.287 -5.590 1303 3HD2 LEU 76 3HD2 LEU 76 -12.273 1.312 -7.186 1304 H LYS 77 HN LYS 77 -11.842 1.424 -2.353 1305 HA LYS 77 HA LYS 77 -13.574 0.123 -0.314 1306 1HB LYS 77 2HB LYS 77 -10.904 1.478 0.167 1307 2HB LYS 77 1HB LYS 77 -12.063 1.153 1.457 1308 1HG LYS 77 2HG LYS 77 -12.025 -1.266 0.815 1309 2HG LYS 77 1HG LYS 77 -10.755 -0.899 -0.352 1310 1HD LYS 77 2HD LYS 77 -10.532 -0.253 2.598 1311 2HD LYS 77 1HD LYS 77 -9.922 -1.747 1.886 1312 1HE LYS 77 2HE LYS 77 -8.707 -0.118 0.202 1313 2HE LYS 77 1HE LYS 77 -8.936 1.067 1.504 1314 1HZ LYS 77 1HZ LYS 77 -7.825 -1.654 1.924 1315 2HZ LYS 77 2HZ LYS 77 -7.896 -0.389 3.055 1316 3HZ LYS 77 3HZ LYS 77 -6.862 -0.275 1.713 1317 H VAL 78 HN VAL 78 -15.056 1.595 0.557 1318 HA VAL 78 HA VAL 78 -15.661 3.908 -0.940 1319 HB VAL 78 HB VAL 78 -16.395 3.355 1.948 1320 1HG1 VAL 78 1HG1 VAL 78 -17.923 5.000 1.682 1321 2HG1 VAL 78 2HG1 VAL 78 -18.466 4.323 0.144 1322 3HG1 VAL 78 3HG1 VAL 78 -17.084 5.430 0.190 1323 1HG2 VAL 78 1HG2 VAL 78 -17.517 1.528 1.272 1324 2HG2 VAL 78 2HG2 VAL 78 -16.716 1.681 -0.294 1325 3HG2 VAL 78 3HG2 VAL 78 -18.287 2.436 -0.029 1326 H GLY 79 HN GLY 79 -15.466 6.136 -0.434 1327 1HA GLY 79 2HA GLY 79 -14.541 8.025 0.711 1328 2HA GLY 79 1HA GLY 79 -13.620 6.923 1.737 1329 H ASP 80 HN ASP 80 -13.027 5.456 -0.958 1330 HA ASP 80 HA ASP 80 -10.613 7.070 -1.632 1331 1HB ASP 80 2HB ASP 80 -10.648 4.564 -1.044 1332 2HB ASP 80 1HB ASP 80 -11.410 4.321 -2.613 1333 H TRP 81 HN TRP 81 -10.117 7.194 -4.041 1334 HA TRP 81 HA TRP 81 -12.657 7.508 -5.617 1335 1HB TRP 81 2HB TRP 81 -10.051 9.046 -5.571 1336 2HB TRP 81 1HB TRP 81 -11.214 9.215 -6.882 1337 HD1 TRP 81 HD1 TRP 81 -11.633 9.070 -3.027 1338 HE1 TRP 81 HE1 TRP 81 -13.152 11.019 -2.321 1339 HE3 TRP 81 HE3 TRP 81 -12.423 11.264 -7.573 1340 HZ2 TRP 81 HZ2 TRP 81 -14.515 13.232 -3.515 1341 HZ3 TRP 81 HZ3 TRP 81 -13.835 13.295 -7.759 1342 HH2 TRP 81 HH2 TRP 81 -14.880 14.280 -5.736 1343 H VAL 82 HN VAL 82 -12.413 7.065 -7.943 1344 HA VAL 82 HA VAL 82 -10.238 5.080 -8.544 1345 HB VAL 82 HB VAL 82 -12.221 3.823 -8.264 1346 1HG1 VAL 82 1HG1 VAL 82 -14.319 4.799 -9.655 1347 2HG1 VAL 82 2HG1 VAL 82 -13.507 6.312 -9.252 1348 3HG1 VAL 82 3HG1 VAL 82 -14.020 5.217 -7.967 1349 1HG2 VAL 82 1HG2 VAL 82 -11.129 3.896 -10.725 1350 2HG2 VAL 82 2HG2 VAL 82 -12.767 4.429 -11.123 1351 3HG2 VAL 82 3HG2 VAL 82 -12.510 2.870 -10.333 1352 H ASN 83 HN ASN 83 -9.607 4.994 -10.766 1353 HA ASN 83 HA ASN 83 -9.985 7.451 -12.370 1354 1HB ASN 83 2HB ASN 83 -8.244 5.101 -12.212 1355 2HB ASN 83 1HB ASN 83 -8.708 5.458 -13.859 1356 1HD2 ASN 83 1HD2 ASN 83 -8.895 8.368 -13.556 1357 2HD2 ASN 83 2HD2 ASN 83 -7.320 8.948 -13.309 1358 H VAL 84 HN VAL 84 -12.104 7.493 -13.181 1359 HA VAL 84 HA VAL 84 -13.188 4.918 -14.227 1360 HB VAL 84 HB VAL 84 -15.334 6.516 -14.258 1361 1HG1 VAL 84 1HG1 VAL 84 -14.256 5.464 -11.639 1362 2HG1 VAL 84 2HG1 VAL 84 -14.789 4.396 -12.940 1363 3HG1 VAL 84 3HG1 VAL 84 -15.932 5.514 -12.192 1364 1HG2 VAL 84 1HG2 VAL 84 -15.316 8.208 -12.597 1365 2HG2 VAL 84 2HG2 VAL 84 -13.813 8.461 -13.485 1366 3HG2 VAL 84 3HG2 VAL 84 -13.787 7.645 -11.922 1367 H GLU 85 HN GLU 85 -13.740 4.646 -16.307 1368 HA GLU 85 HA GLU 85 -13.447 6.981 -18.177 1369 1HB GLU 85 2HB GLU 85 -11.405 5.541 -18.033 1370 2HB GLU 85 1HB GLU 85 -12.380 4.161 -18.538 1371 1HG GLU 85 2HG GLU 85 -12.945 5.325 -20.640 1372 2HG GLU 85 1HG GLU 85 -11.966 6.704 -20.136 1373 H ARG 86 HN ARG 86 -14.975 7.007 -19.838 1374 HA ARG 86 HA ARG 86 -17.307 5.302 -19.517 1375 1HB ARG 86 2HB ARG 86 -17.355 7.707 -20.105 1376 2HB ARG 86 1HB ARG 86 -16.539 7.347 -21.628 1377 1HG ARG 86 2HG ARG 86 -18.422 5.898 -22.296 1378 2HG ARG 86 1HG ARG 86 -19.243 6.267 -20.779 1379 1HD ARG 86 2HD ARG 86 -18.424 8.405 -22.776 1380 2HD ARG 86 1HD ARG 86 -20.031 7.667 -22.733 1381 HE ARG 86 HE ARG 86 -20.445 8.713 -20.628 1382 1HH1 ARG 86 1HH1 ARG 86 -17.167 9.157 -21.694 1383 2HH1 ARG 86 2HH1 ARG 86 -16.844 10.403 -20.542 1384 1HH2 ARG 86 1HH2 ARG 86 -20.003 10.325 -19.135 1385 2HH2 ARG 86 2HH2 ARG 86 -18.433 11.057 -19.097 1386 H ALA 87 HN ALA 87 -17.667 3.382 -20.535 1387 HA ALA 87 HA ALA 87 -16.181 2.783 -23.087 1388 1HB ALA 87 1HB ALA 87 -15.823 0.628 -22.316 1389 2HB ALA 87 2HB ALA 87 -17.215 0.671 -21.235 1390 3HB ALA 87 3HB ALA 87 -15.735 1.527 -20.801 1391 H ALA 88 HN ALA 88 -17.408 1.933 -24.743 1392 HA ALA 88 HA ALA 88 -20.349 1.590 -24.269 1393 1HB ALA 88 1HB ALA 88 -19.854 3.861 -25.046 1394 2HB ALA 88 2HB ALA 88 -20.660 2.964 -26.332 1395 3HB ALA 88 3HB ALA 88 -18.913 3.214 -26.390 1396 H LYS 89 HN LYS 89 -21.411 0.321 -25.944 1397 HA LYS 89 HA LYS 89 -19.914 -1.952 -26.857 1398 1HB LYS 89 2HB LYS 89 -22.627 -0.824 -27.617 1399 2HB LYS 89 1HB LYS 89 -22.076 -2.455 -28.003 1400 1HG LYS 89 2HG LYS 89 -22.416 -1.286 -25.225 1401 2HG LYS 89 1HG LYS 89 -23.425 -2.528 -25.969 1402 1HD LYS 89 2HD LYS 89 -21.241 -3.877 -26.237 1403 2HD LYS 89 1HD LYS 89 -20.548 -2.735 -25.084 1404 1HE LYS 89 2HE LYS 89 -21.887 -3.484 -23.329 1405 2HE LYS 89 1HE LYS 89 -23.164 -4.063 -24.418 1406 1HZ LYS 89 1HZ LYS 89 -21.353 -5.684 -23.347 1407 2HZ LYS 89 2HZ LYS 89 -20.528 -5.245 -24.766 1408 3HZ LYS 89 3HZ LYS 89 -22.062 -5.969 -24.861 1409 H PHE 90 HN PHE 90 -21.076 0.984 -28.519 1410 HA PHE 90 HA PHE 90 -19.719 0.049 -31.013 1411 1HB PHE 90 2HB PHE 90 -21.269 1.552 -32.119 1412 2HB PHE 90 1HB PHE 90 -22.178 0.603 -30.945 1413 HD1 PHE 90 HD1 PHE 90 -20.803 3.927 -31.739 1414 HD2 PHE 90 HD2 PHE 90 -23.022 1.607 -28.879 1415 HE1 PHE 90 HE1 PHE 90 -21.534 6.015 -30.613 1416 HE2 PHE 90 HE2 PHE 90 -23.752 3.695 -27.753 1417 HZ PHE 90 HZ PHE 90 -23.009 5.899 -28.620 1418 H SER 91 HN SER 91 -18.559 1.717 -32.277 1419 HA SER 91 HA SER 91 -17.292 3.783 -30.505 1420 1HB SER 91 2HB SER 91 -16.211 2.037 -32.733 1421 2HB SER 91 1HB SER 91 -15.298 3.365 -32.022 1422 HG SER 91 HG SER 91 -16.385 1.126 -30.644 1423 H ASP 92 HN ASP 92 -16.996 5.848 -31.393 1424 HA ASP 92 HA ASP 92 -18.795 6.682 -33.485 1425 1HB ASP 92 2HB ASP 92 -17.965 7.982 -31.484 1426 2HB ASP 92 1HB ASP 92 -16.406 8.122 -32.297 1427 H GLU 93 HN GLU 93 -15.506 5.569 -33.482 1428 HA GLU 93 HA GLU 93 -15.119 6.549 -36.285 1429 1HB GLU 93 2HB GLU 93 -13.282 5.995 -33.944 1430 2HB GLU 93 1HB GLU 93 -12.665 6.244 -35.579 1431 1HG GLU 93 2HG GLU 93 -13.538 8.459 -35.683 1432 2HG GLU 93 1HG GLU 93 -14.536 8.211 -34.249 1433 H ILE 94 HN ILE 94 -16.562 4.274 -36.252 1434 HA ILE 94 HA ILE 94 -15.178 1.781 -36.069 1435 HB ILE 94 HB ILE 94 -17.457 2.754 -37.825 1436 1HG1 ILE 94 2HG1 ILE 94 -17.849 2.957 -35.393 1437 2HG1 ILE 94 1HG1 ILE 94 -18.864 1.693 -36.090 1438 1HG2 ILE 94 1HG2 ILE 94 -16.861 0.759 -38.868 1439 2HG2 ILE 94 2HG2 ILE 94 -17.987 0.176 -37.642 1440 3HG2 ILE 94 3HG2 ILE 94 -16.248 0.044 -37.377 1441 1HD1 ILE 94 1HD1 ILE 94 -17.882 0.839 -34.042 1442 2HD1 ILE 94 2HD1 ILE 94 -16.266 1.305 -34.576 1443 3HD1 ILE 94 3HD1 ILE 94 -17.131 0.011 -35.406 1444 H GLY 95 HN GLY 95 -15.654 4.023 -38.798 1445 1HA GLY 95 2HA GLY 95 -14.642 4.030 -40.945 1446 2HA GLY 95 1HA GLY 95 -13.182 3.938 -39.959 1447 H GLY 96 HN GLY 96 -15.743 1.746 -41.181 1448 1HA GLY 96 2HA GLY 96 -14.924 -0.063 -42.754 1449 2HA GLY 96 1HA GLY 96 -13.582 -0.277 -41.629 1450 H HIS 97 HN HIS 97 -13.877 -2.128 -40.494 1451 HA HIS 97 HA HIS 97 -16.613 -2.686 -39.400 1452 1HB HIS 97 2HB HIS 97 -16.120 -5.081 -39.914 1453 2HB HIS 97 1HB HIS 97 -16.142 -4.077 -41.364 1454 HD1 HIS 97 HD1 HIS 97 -13.916 -3.700 -42.598 1455 HD2 HIS 97 HD2 HIS 97 -13.501 -5.965 -39.123 1456 HE1 HIS 97 HE1 HIS 97 -11.569 -4.651 -42.638 1457 HN3 RBF 98 HN3 RBF 98 4.105 6.629 -13.241 1458 HC6 RBF 98 HC6 RBF 98 3.476 4.828 -19.923 1459 1HC7 RBF 98 1HC7 RBF 98 1.322 5.253 -22.932 1460 2HC7 RBF 98 2HC7 RBF 98 2.433 4.142 -22.104 1461 3HC7 RBF 98 3HC7 RBF 98 3.049 5.652 -22.808 1462 1HC8 RBF 98 1HC8 RBF 98 -0.396 6.346 -22.487 1463 2HC8 RBF 98 2HC8 RBF 98 0.804 7.579 -22.932 1464 3HC8 RBF 98 3HC8 RBF 98 -0.571 8.012 -21.896 1465 HC9 RBF 98 HC9 RBF 98 -0.057 8.306 -19.655 1466 1HC1 RBF 98 1HC1 RBF 98 0.206 9.313 -16.228 1467 2HC1 RBF 98 2HC1 RBF 98 -0.752 8.487 -17.474 1468 HC2* RBF 98 HC2* RBF 98 -0.324 10.155 -18.926 1469 HO2* RBF 98 HO2* RBF 98 1.815 10.406 -19.675 1470 HC3* RBF 98 HC3* RBF 98 1.195 12.094 -18.073 1471 HO3* RBF 98 HO3* RBF 98 2.332 11.520 -16.361 1472 HC4* RBF 98 HC4* RBF 98 -1.233 11.163 -16.484 1473 HO4* RBF 98 HO4* RBF 98 -1.939 11.480 -18.531 1474 1HC5 RBF 98 1HC5 RBF 98 -1.477 13.626 -16.012 1475 2HC5 RBF 98 2HC5 RBF 98 -0.048 12.895 -15.249 1476 HO5* RBF 98 HO5* RBF 98 -0.183 14.862 -17.176 1477 HN3 RBF 99 HN3 RBF 99 -18.640 -6.468 -12.269 1478 HC6 RBF 99 HC6 RBF 99 -18.236 -5.278 -19.105 1479 1HC7 RBF 99 1HC7 RBF 99 -16.182 -5.976 -22.132 1480 2HC7 RBF 99 2HC7 RBF 99 -17.269 -4.793 -21.372 1481 3HC7 RBF 99 3HC7 RBF 99 -17.902 -6.361 -21.916 1482 1HC8 RBF 99 1HC8 RBF 99 -14.447 -7.023 -21.646 1483 2HC8 RBF 99 2HC8 RBF 99 -15.657 -8.292 -21.938 1484 3HC8 RBF 99 3HC8 RBF 99 -14.245 -8.628 -20.913 1485 HC9 RBF 99 HC9 RBF 99 -14.686 -8.718 -18.639 1486 1HC1 RBF 99 1HC1 RBF 99 -14.833 -9.408 -15.127 1487 2HC1 RBF 99 2HC1 RBF 99 -13.920 -8.699 -16.474 1488 HC2* RBF 99 HC2* RBF 99 -14.394 -10.494 -17.751 1489 HO2* RBF 99 HO2* RBF 99 -16.551 -10.811 -18.406 1490 HC3* RBF 99 HC3* RBF 99 -15.873 -12.346 -16.678 1491 HO3* RBF 99 HO3* RBF 99 -16.956 -11.618 -14.989 1492 HC4* RBF 99 HC4* RBF 99 -13.398 -11.274 -15.263 1493 HO4* RBF 99 HO4* RBF 99 -12.758 -11.775 -17.293 1494 1HC5 RBF 99 1HC5 RBF 99 -13.132 -13.684 -14.576 1495 2HC5 RBF 99 2HC5 RBF 99 -14.537 -12.886 -13.835 1496 HO5* RBF 99 HO5* RBF 99 -14.458 -15.022 -15.580 Start of MODEL 16 1 1H MET 1 1HT MET 1 -13.380 -1.542 -30.117 2 2H MET 1 2HT MET 1 -13.731 -0.225 -29.103 3 3H MET 1 3HT MET 1 -14.971 -0.964 -29.999 4 HA MET 1 HA MET 1 -15.385 -2.045 -28.070 5 1HB MET 1 2HB MET 1 -12.997 -3.409 -29.343 6 2HB MET 1 1HB MET 1 -13.968 -4.164 -28.078 7 1HG MET 1 2HG MET 1 -15.988 -3.914 -29.476 8 2HG MET 1 1HG MET 1 -15.019 -3.161 -30.741 9 1HE MET 1 1HE MET 1 -12.772 -4.054 -31.159 10 2HE MET 1 2HE MET 1 -13.363 -4.942 -32.560 11 3HE MET 1 3HE MET 1 -12.338 -5.754 -31.381 12 H PHE 2 HN PHE 2 -14.204 -3.192 -26.052 13 HA PHE 2 HA PHE 2 -11.680 -2.093 -25.196 14 1HB PHE 2 2HB PHE 2 -12.551 -0.545 -23.510 15 2HB PHE 2 1HB PHE 2 -13.176 -0.084 -25.092 16 HD1 PHE 2 HD1 PHE 2 -14.028 -2.166 -22.097 17 HD2 PHE 2 HD2 PHE 2 -15.512 0.171 -25.399 18 HE1 PHE 2 HE1 PHE 2 -16.342 -2.421 -21.243 19 HE2 PHE 2 HE2 PHE 2 -17.816 -0.097 -24.543 20 HZ PHE 2 HZ PHE 2 -18.237 -1.393 -22.474 21 H THR 3 HN THR 3 -10.982 -3.243 -23.353 22 HA THR 3 HA THR 3 -12.994 -4.948 -21.960 23 HB THR 3 HB THR 3 -11.759 -6.921 -22.476 24 HG1 THR 3 HG1 THR 3 -9.664 -6.351 -23.757 25 1HG2 THR 3 1HG2 THR 3 -11.966 -7.040 -24.771 26 2HG2 THR 3 2HG2 THR 3 -11.172 -5.488 -25.030 27 3HG2 THR 3 3HG2 THR 3 -12.852 -5.538 -24.492 28 H GLY 4 HN GLY 4 -9.701 -3.617 -22.098 29 1HA GLY 4 2HA GLY 4 -8.107 -3.302 -20.407 30 2HA GLY 4 1HA GLY 4 -9.490 -2.783 -19.447 31 H ILE 5 HN ILE 5 -9.398 -5.993 -20.773 32 HA ILE 5 HA ILE 5 -9.720 -7.145 -18.114 33 HB ILE 5 HB ILE 5 -9.240 -8.412 -20.832 34 1HG1 ILE 5 2HG1 ILE 5 -11.119 -6.781 -20.769 35 2HG1 ILE 5 1HG1 ILE 5 -11.678 -8.432 -21.030 36 1HG2 ILE 5 1HG2 ILE 5 -9.437 -10.370 -19.749 37 2HG2 ILE 5 2HG2 ILE 5 -11.032 -9.878 -19.183 38 3HG2 ILE 5 3HG2 ILE 5 -9.603 -9.521 -18.212 39 1HD1 ILE 5 1HD1 ILE 5 -13.006 -7.117 -19.321 40 2HD1 ILE 5 2HD1 ILE 5 -11.568 -7.114 -18.303 41 3HD1 ILE 5 3HD1 ILE 5 -12.348 -8.638 -18.723 42 H VAL 6 HN VAL 6 -8.077 -7.662 -16.770 43 HA VAL 6 HA VAL 6 -5.331 -7.365 -17.693 44 HB VAL 6 HB VAL 6 -6.885 -7.516 -15.165 45 1HG1 VAL 6 1HG1 VAL 6 -3.894 -8.005 -15.144 46 2HG1 VAL 6 2HG1 VAL 6 -5.092 -9.264 -14.849 47 3HG1 VAL 6 3HG1 VAL 6 -4.961 -7.894 -13.745 48 1HG2 VAL 6 1HG2 VAL 6 -5.331 -5.657 -16.676 49 2HG2 VAL 6 2HG2 VAL 6 -4.588 -5.825 -15.086 50 3HG2 VAL 6 3HG2 VAL 6 -6.283 -5.354 -15.224 51 H GLN 7 HN GLN 7 -3.794 -8.932 -17.924 52 HA GLN 7 HA GLN 7 -4.562 -11.699 -18.237 53 1HB GLN 7 2HB GLN 7 -1.937 -10.192 -18.139 54 2HB GLN 7 1HB GLN 7 -2.042 -11.911 -18.521 55 1HG GLN 7 2HG GLN 7 -3.512 -9.726 -20.025 56 2HG GLN 7 1HG GLN 7 -2.008 -10.475 -20.564 57 1HE2 GLN 7 1HE2 GLN 7 -5.401 -10.743 -20.728 58 2HE2 GLN 7 2HE2 GLN 7 -5.488 -12.336 -21.307 59 H GLY 8 HN GLY 8 -2.940 -9.855 -15.627 60 1HA GLY 8 2HA GLY 8 -3.310 -12.166 -13.811 61 2HA GLY 8 1HA GLY 8 -1.640 -11.753 -14.200 62 H THR 9 HN THR 9 -2.053 -11.532 -11.623 63 HA THR 9 HA THR 9 -2.758 -8.664 -11.103 64 HB THR 9 HB THR 9 -3.047 -9.777 -8.709 65 HG1 THR 9 HG1 THR 9 -2.411 -11.810 -9.110 66 1HG2 THR 9 1HG2 THR 9 -5.375 -9.981 -9.163 67 2HG2 THR 9 2HG2 THR 9 -5.083 -10.387 -10.855 68 3HG2 THR 9 3HG2 THR 9 -4.786 -8.747 -10.278 69 H ALA 10 HN ALA 10 -1.605 -7.804 -9.109 70 HA ALA 10 HA ALA 10 1.187 -8.867 -8.818 71 1HB ALA 10 1HB ALA 10 1.253 -6.042 -8.736 72 2HB ALA 10 2HB ALA 10 0.229 -6.451 -10.115 73 3HB ALA 10 3HB ALA 10 1.878 -7.076 -10.019 74 H LYS 11 HN LYS 11 2.093 -8.425 -6.754 75 HA LYS 11 HA LYS 11 0.088 -7.500 -4.720 76 1HB LYS 11 2HB LYS 11 0.842 -9.809 -4.512 77 2HB LYS 11 1HB LYS 11 2.522 -9.287 -4.558 78 1HG LYS 11 2HG LYS 11 2.257 -8.057 -2.479 79 2HG LYS 11 1HG LYS 11 0.532 -8.421 -2.448 80 1HD LYS 11 2HD LYS 11 0.858 -10.561 -1.729 81 2HD LYS 11 1HD LYS 11 2.342 -10.760 -2.664 82 1HE LYS 11 2HE LYS 11 3.603 -9.437 -1.040 83 2HE LYS 11 1HE LYS 11 2.117 -9.091 -0.132 84 1HZ LYS 11 1HZ LYS 11 3.025 -10.956 0.926 85 2HZ LYS 11 2HZ LYS 11 3.450 -11.703 -0.538 86 3HZ LYS 11 3HZ LYS 11 1.818 -11.598 -0.077 87 H LEU 12 HN LEU 12 0.511 -5.450 -4.006 88 HA LEU 12 HA LEU 12 3.005 -4.041 -4.252 89 1HB LEU 12 2HB LEU 12 0.517 -3.307 -3.698 90 2HB LEU 12 1HB LEU 12 1.007 -3.615 -2.044 91 HG LEU 12 HG LEU 12 2.764 -1.980 -2.169 92 1HD1 LEU 12 1HD1 LEU 12 2.413 -2.422 -5.050 93 2HD1 LEU 12 2HD1 LEU 12 3.830 -1.854 -4.167 94 3HD1 LEU 12 3HD1 LEU 12 2.562 -0.717 -4.626 95 1HD2 LEU 12 1HD2 LEU 12 1.001 -0.216 -3.584 96 2HD2 LEU 12 2HD2 LEU 12 1.223 -0.365 -1.842 97 3HD2 LEU 12 3HD2 LEU 12 0.018 -1.355 -2.665 98 H VAL 13 HN VAL 13 4.821 -4.386 -3.105 99 HA VAL 13 HA VAL 13 4.588 -5.746 -0.449 100 HB VAL 13 HB VAL 13 5.439 -7.348 -1.943 101 1HG1 VAL 13 1HG1 VAL 13 6.020 -6.602 -3.977 102 2HG1 VAL 13 2HG1 VAL 13 7.632 -6.381 -3.291 103 3HG1 VAL 13 3HG1 VAL 13 6.508 -5.025 -3.349 104 1HG2 VAL 13 1HG2 VAL 13 8.112 -7.047 -1.516 105 2HG2 VAL 13 2HG2 VAL 13 6.994 -7.688 -0.315 106 3HG2 VAL 13 3HG2 VAL 13 7.463 -5.994 -0.265 107 H SER 14 HN SER 14 6.228 -3.392 -2.475 108 HA SER 14 HA SER 14 7.232 -2.066 0.016 109 1HB SER 14 2HB SER 14 8.786 -3.724 -1.478 110 2HB SER 14 1HB SER 14 9.094 -2.188 -2.279 111 HG SER 14 HG SER 14 10.533 -2.444 -0.570 112 H ILE 15 HN ILE 15 7.300 0.187 -0.163 113 HA ILE 15 HA ILE 15 6.598 1.355 -2.839 114 HB ILE 15 HB ILE 15 6.439 2.658 -0.107 115 1HG1 ILE 15 2HG1 ILE 15 4.322 1.188 -1.700 116 2HG1 ILE 15 1HG1 ILE 15 4.961 0.737 -0.126 117 1HG2 ILE 15 1HG2 ILE 15 5.686 3.380 -2.912 118 2HG2 ILE 15 2HG2 ILE 15 6.352 4.396 -1.635 119 3HG2 ILE 15 3HG2 ILE 15 4.643 3.950 -1.608 120 1HD1 ILE 15 1HD1 ILE 15 4.167 3.321 0.327 121 2HD1 ILE 15 2HD1 ILE 15 3.193 1.901 0.700 122 3HD1 ILE 15 3HD1 ILE 15 2.944 2.766 -0.815 123 H ASP 16 HN ASP 16 8.125 2.648 -3.785 124 HA ASP 16 HA ASP 16 10.555 3.355 -2.196 125 1HB ASP 16 2HB ASP 16 9.971 2.745 -5.077 126 2HB ASP 16 1HB ASP 16 11.378 3.728 -4.670 127 H GLU 17 HN GLU 17 10.425 5.457 -1.491 128 HA GLU 17 HA GLU 17 8.827 7.386 -3.117 129 1HB GLU 17 2HB GLU 17 8.188 6.940 -0.770 130 2HB GLU 17 1HB GLU 17 9.799 7.426 -0.240 131 1HG GLU 17 2HG GLU 17 9.429 9.682 -1.173 132 2HG GLU 17 1HG GLU 17 7.816 9.198 -1.699 133 H LYS 18 HN LYS 18 10.130 8.557 -4.486 134 HA LYS 18 HA LYS 18 12.774 9.522 -3.455 135 1HB LYS 18 2HB LYS 18 11.834 9.585 -6.326 136 2HB LYS 18 1HB LYS 18 13.485 9.543 -5.715 137 1HG LYS 18 2HG LYS 18 12.438 7.221 -4.675 138 2HG LYS 18 1HG LYS 18 11.626 7.323 -6.237 139 1HD LYS 18 2HD LYS 18 14.623 7.567 -5.836 140 2HD LYS 18 1HD LYS 18 13.798 6.101 -6.370 141 1HE LYS 18 2HE LYS 18 13.465 8.730 -7.837 142 2HE LYS 18 1HE LYS 18 14.758 7.581 -8.238 143 1HZ LYS 18 1HZ LYS 18 13.288 6.009 -8.926 144 2HZ LYS 18 2HZ LYS 18 12.358 7.382 -9.299 145 3HZ LYS 18 3HZ LYS 18 12.062 6.513 -7.868 146 HA PRO 19 HA PRO 19 10.843 13.457 -2.902 147 1HB PRO 19 2HB PRO 19 13.206 14.916 -3.424 148 2HB PRO 19 1HB PRO 19 12.641 14.361 -1.838 149 1HG PRO 19 2HG PRO 19 14.660 13.167 -3.650 150 2HG PRO 19 1HG PRO 19 14.585 13.169 -1.881 151 1HD PRO 19 2HD PRO 19 14.006 10.976 -3.316 152 2HD PRO 19 1HD PRO 19 13.142 11.361 -1.808 153 H ASN 20 HN ASN 20 12.629 12.521 -5.761 154 HA ASN 20 HA ASN 20 11.580 14.824 -7.323 155 1HB ASN 20 2HB ASN 20 13.123 12.435 -8.348 156 2HB ASN 20 1HB ASN 20 13.101 14.078 -8.987 157 1HD2 ASN 20 1HD2 ASN 20 14.807 11.941 -6.934 158 2HD2 ASN 20 2HD2 ASN 20 15.806 13.085 -6.182 159 H PHE 21 HN PHE 21 11.143 11.342 -6.924 160 HA PHE 21 HA PHE 21 8.617 11.483 -8.502 161 1HB PHE 21 2HB PHE 21 10.801 9.439 -8.998 162 2HB PHE 21 1HB PHE 21 9.345 9.697 -9.956 163 HD1 PHE 21 HD1 PHE 21 9.049 12.184 -10.868 164 HD2 PHE 21 HD2 PHE 21 12.790 10.410 -9.724 165 HE1 PHE 21 HE1 PHE 21 10.260 13.837 -12.271 166 HE2 PHE 21 HE2 PHE 21 14.003 12.063 -11.122 167 HZ PHE 21 HZ PHE 21 12.738 13.776 -12.396 168 H ARG 22 HN ARG 22 7.139 9.782 -7.906 169 HA ARG 22 HA ARG 22 7.901 8.273 -5.448 170 1HB ARG 22 2HB ARG 22 5.792 9.617 -5.528 171 2HB ARG 22 1HB ARG 22 5.225 8.573 -6.833 172 1HG ARG 22 2HG ARG 22 5.346 6.619 -5.382 173 2HG ARG 22 1HG ARG 22 6.036 7.591 -4.083 174 1HD ARG 22 2HD ARG 22 3.966 8.936 -3.976 175 2HD ARG 22 1HD ARG 22 3.263 7.953 -5.276 176 HE ARG 22 HE ARG 22 4.051 6.031 -3.503 177 1HH1 ARG 22 1HH1 ARG 22 2.301 8.997 -3.158 178 2HH1 ARG 22 2HH1 ARG 22 1.389 8.446 -1.794 179 1HH2 ARG 22 1HH2 ARG 22 2.866 5.311 -1.726 180 2HH2 ARG 22 2HH2 ARG 22 1.708 6.365 -0.985 181 H THR 23 HN THR 23 7.931 6.040 -5.456 182 HA THR 23 HA THR 23 7.558 4.657 -8.086 183 HB THR 23 HB THR 23 9.765 4.303 -6.031 184 HG1 THR 23 HG1 THR 23 9.476 5.879 -8.312 185 1HG2 THR 23 1HG2 THR 23 10.171 3.359 -8.780 186 2HG2 THR 23 2HG2 THR 23 8.856 2.530 -7.947 187 3HG2 THR 23 3HG2 THR 23 10.477 2.533 -7.252 188 H HIS 24 HN HIS 24 6.727 2.519 -7.908 189 HA HIS 24 HA HIS 24 6.175 1.545 -5.135 190 1HB HIS 24 2HB HIS 24 4.386 2.417 -7.269 191 2HB HIS 24 1HB HIS 24 4.000 0.797 -6.682 192 HD1 HIS 24 HD1 HIS 24 2.974 4.053 -5.987 193 HD2 HIS 24 HD2 HIS 24 4.455 1.030 -3.539 194 HE1 HIS 24 HE1 HIS 24 2.307 4.654 -3.615 195 H VAL 25 HN VAL 25 6.618 -0.617 -4.862 196 HA VAL 25 HA VAL 25 7.308 -2.187 -7.309 197 HB VAL 25 HB VAL 25 8.204 -2.656 -4.470 198 1HG1 VAL 25 1HG1 VAL 25 10.239 -3.434 -6.065 199 2HG1 VAL 25 2HG1 VAL 25 8.887 -3.694 -7.166 200 3HG1 VAL 25 3HG1 VAL 25 8.921 -4.511 -5.604 201 1HG2 VAL 25 1HG2 VAL 25 10.348 -1.456 -5.538 202 2HG2 VAL 25 2HG2 VAL 25 9.090 -0.536 -4.714 203 3HG2 VAL 25 3HG2 VAL 25 9.102 -0.633 -6.475 204 H VAL 26 HN VAL 26 6.225 -4.009 -7.702 205 HA VAL 26 HA VAL 26 4.359 -5.064 -5.609 206 HB VAL 26 HB VAL 26 2.904 -5.610 -7.483 207 1HG1 VAL 26 1HG1 VAL 26 2.198 -3.478 -7.345 208 2HG1 VAL 26 2HG1 VAL 26 3.375 -3.039 -8.582 209 3HG1 VAL 26 3HG1 VAL 26 3.814 -2.950 -6.877 210 1HG2 VAL 26 1HG2 VAL 26 3.698 -4.807 -9.809 211 2HG2 VAL 26 2HG2 VAL 26 4.394 -6.304 -9.191 212 3HG2 VAL 26 3HG2 VAL 26 5.318 -4.806 -9.113 213 H GLU 27 HN GLU 27 3.836 -7.455 -6.057 214 HA GLU 27 HA GLU 27 6.337 -8.951 -6.640 215 1HB GLU 27 2HB GLU 27 4.654 -8.991 -4.533 216 2HB GLU 27 1HB GLU 27 3.842 -10.154 -5.575 217 1HG GLU 27 2HG GLU 27 5.769 -11.564 -5.666 218 2HG GLU 27 1HG GLU 27 6.785 -10.333 -4.919 219 H LEU 28 HN LEU 28 6.428 -9.675 -8.705 220 HA LEU 28 HA LEU 28 4.041 -9.837 -10.369 221 1HB LEU 28 2HB LEU 28 6.686 -9.192 -10.587 222 2HB LEU 28 1HB LEU 28 6.678 -10.803 -11.270 223 HG LEU 28 HG LEU 28 6.263 -9.457 -13.144 224 1HD1 LEU 28 1HD1 LEU 28 4.211 -10.138 -13.863 225 2HD1 LEU 28 2HD1 LEU 28 3.387 -9.574 -12.414 226 3HD1 LEU 28 3HD1 LEU 28 4.268 -11.104 -12.391 227 1HD2 LEU 28 1HD2 LEU 28 5.350 -7.345 -13.084 228 2HD2 LEU 28 2HD2 LEU 28 5.838 -7.474 -11.394 229 3HD2 LEU 28 3HD2 LEU 28 4.163 -7.777 -11.854 230 HA PRO 29 HA PRO 29 3.509 -14.118 -9.133 231 1HB PRO 29 2HB PRO 29 1.484 -14.621 -10.939 232 2HB PRO 29 1HB PRO 29 1.248 -13.934 -9.326 233 1HG PRO 29 2HG PRO 29 1.306 -12.586 -11.962 234 2HG PRO 29 1HG PRO 29 0.366 -12.201 -10.514 235 1HD PRO 29 2HD PRO 29 2.557 -10.801 -11.291 236 2HD PRO 29 1HD PRO 29 2.050 -10.953 -9.596 237 H ASP 30 HN ASP 30 3.448 -16.242 -10.379 238 HA ASP 30 HA ASP 30 5.738 -16.443 -12.020 239 1HB ASP 30 2HB ASP 30 4.921 -18.762 -12.347 240 2HB ASP 30 1HB ASP 30 4.743 -18.249 -10.669 241 H HIS 31 HN HIS 31 2.298 -16.159 -12.933 242 HA HIS 31 HA HIS 31 2.981 -16.689 -15.743 243 1HB HIS 31 2HB HIS 31 0.572 -16.707 -16.043 244 2HB HIS 31 1HB HIS 31 0.954 -17.585 -14.569 245 HD1 HIS 31 HD1 HIS 31 1.485 -14.496 -13.247 246 HD2 HIS 31 HD2 HIS 31 -1.994 -16.259 -14.706 247 HE1 HIS 31 HE1 HIS 31 -0.451 -13.252 -12.184 248 H MET 32 HN MET 32 3.173 -13.987 -13.865 249 HA MET 32 HA MET 32 2.847 -12.257 -16.290 250 1HB MET 32 2HB MET 32 2.549 -11.606 -13.340 251 2HB MET 32 1HB MET 32 2.551 -10.393 -14.621 252 1HG MET 32 2HG MET 32 0.601 -12.697 -14.395 253 2HG MET 32 1HG MET 32 0.249 -11.011 -14.009 254 1HE MET 32 1HE MET 32 1.287 -9.242 -17.150 255 2HE MET 32 2HE MET 32 1.139 -9.271 -15.395 256 3HE MET 32 3HE MET 32 -0.302 -9.079 -16.390 257 H LEU 33 HN LEU 33 4.980 -13.651 -14.010 258 HA LEU 33 HA LEU 33 7.104 -11.689 -13.978 259 1HB LEU 33 2HB LEU 33 6.767 -14.638 -13.491 260 2HB LEU 33 1HB LEU 33 8.395 -13.967 -13.578 261 HG LEU 33 HG LEU 33 6.303 -12.691 -11.812 262 1HD1 LEU 33 1HD1 LEU 33 7.607 -15.305 -11.491 263 2HD1 LEU 33 2HD1 LEU 33 6.240 -14.616 -10.614 264 3HD1 LEU 33 3HD1 LEU 33 7.889 -14.214 -10.135 265 1HD2 LEU 33 1HD2 LEU 33 8.406 -11.476 -12.279 266 2HD2 LEU 33 2HD2 LEU 33 9.337 -12.871 -11.731 267 3HD2 LEU 33 3HD2 LEU 33 8.333 -11.975 -10.589 268 H ASP 34 HN ASP 34 6.225 -14.376 -16.109 269 HA ASP 34 HA ASP 34 8.601 -14.361 -17.717 270 1HB ASP 34 2HB ASP 34 5.754 -15.321 -18.024 271 2HB ASP 34 1HB ASP 34 6.967 -15.612 -19.274 272 H GLY 35 HN GLY 35 9.166 -13.029 -19.401 273 1HA GLY 35 2HA GLY 35 8.737 -11.813 -21.410 274 2HA GLY 35 1HA GLY 35 7.043 -11.681 -20.942 275 H LEU 36 HN LEU 36 7.429 -10.589 -18.327 276 HA LEU 36 HA LEU 36 7.578 -7.817 -19.030 277 1HB LEU 36 2HB LEU 36 6.216 -8.768 -17.209 278 2HB LEU 36 1HB LEU 36 7.686 -9.221 -16.344 279 HG LEU 36 HG LEU 36 8.352 -6.850 -16.220 280 1HD1 LEU 36 1HD1 LEU 36 7.483 -5.495 -17.808 281 2HD1 LEU 36 2HD1 LEU 36 6.022 -5.450 -16.821 282 3HD1 LEU 36 3HD1 LEU 36 6.160 -6.612 -18.140 283 1HD2 LEU 36 1HD2 LEU 36 5.833 -6.286 -15.090 284 2HD2 LEU 36 2HD2 LEU 36 7.235 -6.966 -14.263 285 3HD2 LEU 36 3HD2 LEU 36 6.021 -8.036 -14.965 286 H GLU 37 HN GLU 37 9.185 -6.280 -18.629 287 HA GLU 37 HA GLU 37 11.706 -7.104 -17.302 288 1HB GLU 37 2HB GLU 37 13.044 -6.511 -19.232 289 2HB GLU 37 1HB GLU 37 11.799 -7.631 -19.786 290 1HG GLU 37 2HG GLU 37 10.441 -5.800 -20.622 291 2HG GLU 37 1HG GLU 37 11.555 -4.614 -19.939 292 H THR 38 HN THR 38 13.149 -5.075 -17.065 293 HA THR 38 HA THR 38 11.636 -2.874 -16.000 294 HB THR 38 HB THR 38 14.159 -1.929 -16.507 295 HG1 THR 38 HG1 THR 38 15.481 -3.533 -16.809 296 1HG2 THR 38 1HG2 THR 38 14.490 -3.415 -14.206 297 2HG2 THR 38 2HG2 THR 38 12.740 -3.221 -14.310 298 3HG2 THR 38 3HG2 THR 38 13.784 -1.801 -14.291 299 H GLY 39 HN GLY 39 11.291 -0.775 -16.931 300 1HA GLY 39 2HA GLY 39 11.129 0.838 -18.655 301 2HA GLY 39 1HA GLY 39 12.133 -0.191 -19.672 302 H ALA 40 HN ALA 40 9.922 -2.270 -18.516 303 HA ALA 40 HA ALA 40 8.322 -2.325 -20.953 304 1HB ALA 40 1HB ALA 40 7.160 -4.131 -19.556 305 2HB ALA 40 2HB ALA 40 8.310 -3.741 -18.275 306 3HB ALA 40 3HB ALA 40 8.888 -4.370 -19.821 307 H SER 41 HN SER 41 5.916 -2.036 -20.927 308 HA SER 41 HA SER 41 5.107 0.025 -18.916 309 1HB SER 41 2HB SER 41 3.114 -0.047 -20.736 310 2HB SER 41 1HB SER 41 4.582 0.892 -20.979 311 HG SER 41 HG SER 41 5.244 -0.506 -22.432 312 H VAL 42 HN VAL 42 4.018 -0.800 -17.201 313 HA VAL 42 HA VAL 42 2.298 -3.210 -17.585 314 HB VAL 42 HB VAL 42 3.940 -2.051 -15.372 315 1HG1 VAL 42 1HG1 VAL 42 2.431 -3.794 -13.950 316 2HG1 VAL 42 2HG1 VAL 42 1.199 -3.091 -15.000 317 3HG1 VAL 42 3HG1 VAL 42 2.165 -2.050 -13.954 318 1HG2 VAL 42 1HG2 VAL 42 3.991 -4.333 -16.919 319 2HG2 VAL 42 2HG2 VAL 42 3.267 -4.894 -15.409 320 3HG2 VAL 42 3HG2 VAL 42 4.853 -4.120 -15.394 321 H ALA 43 HN ALA 43 0.134 -2.806 -17.631 322 HA ALA 43 HA ALA 43 -0.901 -0.187 -16.702 323 1HB ALA 43 1HB ALA 43 -2.297 -2.566 -17.965 324 2HB ALA 43 2HB ALA 43 -1.595 -1.230 -18.878 325 3HB ALA 43 3HB ALA 43 -2.951 -0.938 -17.789 326 H HIS 44 HN HIS 44 -1.443 -0.077 -14.572 327 HA HIS 44 HA HIS 44 -2.046 -2.546 -13.045 328 1HB HIS 44 2HB HIS 44 -1.376 0.317 -12.504 329 2HB HIS 44 1HB HIS 44 -2.302 -0.544 -11.274 330 HD1 HIS 44 HD1 HIS 44 0.364 -2.143 -13.460 331 HD2 HIS 44 HD2 HIS 44 -0.198 -1.016 -9.477 332 HE1 HIS 44 HE1 HIS 44 2.321 -3.092 -12.158 333 HE2 HIS 44 HE2 HIS 44 1.986 -2.412 -9.741 334 H ASN 45 HN ASN 45 -4.050 -3.205 -13.642 335 HA ASN 45 HA ASN 45 -6.370 -3.219 -13.953 336 1HB ASN 45 2HB ASN 45 -5.959 -1.820 -11.690 337 2HB ASN 45 1HB ASN 45 -6.667 -0.549 -12.688 338 1HD2 ASN 45 1HD2 ASN 45 -7.354 -3.467 -10.927 339 2HD2 ASN 45 2HD2 ASN 45 -8.990 -3.588 -11.343 340 H GLY 46 HN GLY 46 -4.250 -1.260 -15.472 341 1HA GLY 46 2HA GLY 46 -5.072 -0.857 -17.829 342 2HA GLY 46 1HA GLY 46 -6.398 0.035 -17.090 343 H CYS 47 HN CYS 47 -4.064 0.967 -15.071 344 HA CYS 47 HA CYS 47 -3.528 3.420 -16.633 345 1HB CYS 47 2HB CYS 47 -4.188 3.378 -14.206 346 2HB CYS 47 1HB CYS 47 -2.647 2.603 -13.840 347 HG CYS 47 HG CYS 47 -2.550 5.308 -13.652 348 H CYS 48 HN CYS 48 -1.878 3.243 -18.102 349 HA CYS 48 HA CYS 48 0.178 1.231 -17.861 350 1HB CYS 48 2HB CYS 48 0.977 2.339 -19.969 351 2HB CYS 48 1HB CYS 48 -0.738 1.933 -19.999 352 HG CYS 48 HG CYS 48 -0.748 4.378 -20.719 353 H LEU 49 HN LEU 49 1.842 1.449 -16.461 354 HA LEU 49 HA LEU 49 3.388 4.001 -16.535 355 1HB LEU 49 2HB LEU 49 3.890 3.417 -14.063 356 2HB LEU 49 1HB LEU 49 2.293 4.068 -14.430 357 HG LEU 49 HG LEU 49 2.474 1.140 -14.675 358 1HD1 LEU 49 1HD1 LEU 49 3.489 2.534 -12.306 359 2HD1 LEU 49 2HD1 LEU 49 3.639 0.835 -12.759 360 3HD1 LEU 49 3HD1 LEU 49 2.184 1.403 -11.934 361 1HD2 LEU 49 1HD2 LEU 49 0.607 2.527 -12.809 362 2HD2 LEU 49 2HD2 LEU 49 0.269 1.276 -14.005 363 3HD2 LEU 49 3HD2 LEU 49 0.466 2.952 -14.514 364 H THR 50 HN THR 50 5.728 3.585 -16.060 365 HA THR 50 HA THR 50 6.445 1.020 -17.365 366 HB THR 50 HB THR 50 8.015 3.576 -16.915 367 HG1 THR 50 HG1 THR 50 7.380 3.453 -19.371 368 1HG2 THR 50 1HG2 THR 50 8.862 2.256 -19.239 369 2HG2 THR 50 2HG2 THR 50 8.681 0.979 -18.039 370 3HG2 THR 50 3HG2 THR 50 9.735 2.352 -17.711 371 H VAL 51 HN VAL 51 8.274 -0.225 -16.671 372 HA VAL 51 HA VAL 51 8.533 -0.473 -13.780 373 HB VAL 51 HB VAL 51 10.123 -1.782 -16.013 374 1HG1 VAL 51 1HG1 VAL 51 9.547 -2.438 -13.128 375 2HG1 VAL 51 2HG1 VAL 51 11.112 -2.305 -13.931 376 3HG1 VAL 51 3HG1 VAL 51 10.056 -3.676 -14.278 377 1HG2 VAL 51 1HG2 VAL 51 7.302 -1.987 -15.267 378 2HG2 VAL 51 2HG2 VAL 51 8.139 -3.539 -15.237 379 3HG2 VAL 51 3HG2 VAL 51 8.134 -2.567 -16.709 380 H THR 52 HN THR 52 9.806 0.971 -12.690 381 HA THR 52 HA THR 52 12.148 2.294 -13.817 382 HB THR 52 HB THR 52 12.348 3.177 -11.598 383 HG1 THR 52 HG1 THR 52 11.419 2.158 -9.846 384 1HG2 THR 52 1HG2 THR 52 10.176 4.041 -11.206 385 2HG2 THR 52 2HG2 THR 52 9.406 2.585 -11.835 386 3HG2 THR 52 3HG2 THR 52 10.222 3.691 -12.936 387 H GLU 53 HN GLU 53 11.517 -0.530 -11.737 388 HA GLU 53 HA GLU 53 14.168 -1.646 -12.468 389 1HB GLU 53 2HB GLU 53 14.569 -0.024 -10.624 390 2HB GLU 53 1HB GLU 53 13.425 -0.914 -9.620 391 1HG GLU 53 2HG GLU 53 14.825 -2.937 -9.808 392 2HG GLU 53 1HG GLU 53 15.973 -2.048 -10.810 393 H ILE 54 HN ILE 54 14.349 -3.884 -11.885 394 HA ILE 54 HA ILE 54 11.813 -5.158 -10.881 395 HB ILE 54 HB ILE 54 14.058 -6.154 -12.675 396 1HG1 ILE 54 2HG1 ILE 54 11.182 -6.201 -13.426 397 2HG1 ILE 54 1HG1 ILE 54 11.951 -4.619 -13.362 398 1HG2 ILE 54 1HG2 ILE 54 12.086 -7.567 -11.028 399 2HG2 ILE 54 2HG2 ILE 54 13.515 -8.196 -11.849 400 3HG2 ILE 54 3HG2 ILE 54 11.999 -8.009 -12.732 401 1HD1 ILE 54 1HD1 ILE 54 13.539 -6.706 -14.721 402 2HD1 ILE 54 2HD1 ILE 54 13.243 -5.033 -15.198 403 3HD1 ILE 54 3HD1 ILE 54 12.036 -6.275 -15.539 404 H ASN 55 HN ASN 55 11.967 -6.127 -8.950 405 HA ASN 55 HA ASN 55 14.673 -6.468 -7.725 406 1HB ASN 55 2HB ASN 55 11.885 -5.935 -6.772 407 2HB ASN 55 1HB ASN 55 12.984 -6.779 -5.678 408 1HD2 ASN 55 1HD2 ASN 55 12.543 -3.738 -7.494 409 2HD2 ASN 55 2HD2 ASN 55 13.667 -2.843 -6.590 410 H GLY 56 HN GLY 56 14.509 -8.441 -9.398 411 1HA GLY 56 2HA GLY 56 14.537 -10.818 -9.471 412 2HA GLY 56 1HA GLY 56 13.868 -10.849 -7.836 413 H ASN 57 HN ASN 57 11.741 -11.414 -7.680 414 HA ASN 57 HA ASN 57 10.096 -11.567 -10.113 415 1HB ASN 57 2HB ASN 57 8.970 -13.096 -8.870 416 2HB ASN 57 1HB ASN 57 10.255 -12.907 -7.701 417 1HD2 ASN 57 1HD2 ASN 57 7.228 -11.320 -8.647 418 2HD2 ASN 57 2HD2 ASN 57 6.734 -10.908 -7.080 419 H HIS 58 HN HIS 58 10.701 -9.354 -7.487 420 HA HIS 58 HA HIS 58 8.159 -7.965 -7.566 421 1HB HIS 58 2HB HIS 58 10.912 -7.503 -6.466 422 2HB HIS 58 1HB HIS 58 9.738 -6.191 -6.430 423 HD1 HIS 58 HD1 HIS 58 10.912 -8.418 -4.123 424 HD2 HIS 58 HD2 HIS 58 7.029 -7.732 -5.496 425 HE1 HIS 58 HE1 HIS 58 9.346 -9.274 -2.327 426 H VAL 59 HN VAL 59 7.857 -5.757 -8.374 427 HA VAL 59 HA VAL 59 9.891 -4.837 -10.332 428 HB VAL 59 HB VAL 59 6.957 -5.382 -10.849 429 1HG1 VAL 59 1HG1 VAL 59 7.773 -3.237 -11.878 430 2HG1 VAL 59 2HG1 VAL 59 7.313 -4.463 -13.063 431 3HG1 VAL 59 3HG1 VAL 59 9.014 -4.176 -12.707 432 1HG2 VAL 59 1HG2 VAL 59 8.426 -6.596 -12.804 433 2HG2 VAL 59 2HG2 VAL 59 7.941 -7.397 -11.308 434 3HG2 VAL 59 3HG2 VAL 59 9.552 -6.686 -11.446 435 H SER 60 HN SER 60 10.333 -2.783 -9.763 436 HA SER 60 HA SER 60 8.428 -1.125 -8.233 437 1HB SER 60 2HB SER 60 11.217 -0.551 -9.275 438 2HB SER 60 1HB SER 60 10.375 0.309 -7.989 439 HG SER 60 HG SER 60 11.742 -1.190 -7.059 440 H PHE 61 HN PHE 61 7.075 0.331 -9.311 441 HA PHE 61 HA PHE 61 7.781 1.028 -12.134 442 1HB PHE 61 2HB PHE 61 5.154 1.043 -10.602 443 2HB PHE 61 1HB PHE 61 5.326 1.507 -12.293 444 HD1 PHE 61 HD1 PHE 61 5.830 -0.158 -14.020 445 HD2 PHE 61 HD2 PHE 61 5.348 -1.281 -9.899 446 HE1 PHE 61 HE1 PHE 61 5.612 -2.537 -14.693 447 HE2 PHE 61 HE2 PHE 61 5.131 -3.658 -10.574 448 HZ PHE 61 HZ PHE 61 5.262 -4.287 -12.969 449 H ASP 62 HN ASP 62 7.427 3.276 -12.789 450 HA ASP 62 HA ASP 62 7.970 5.201 -10.595 451 1HB ASP 62 2HB ASP 62 8.348 6.746 -12.531 452 2HB ASP 62 1HB ASP 62 9.326 5.288 -12.629 453 H LEU 63 HN LEU 63 6.694 6.957 -10.137 454 HA LEU 63 HA LEU 63 4.055 7.273 -11.437 455 1HB LEU 63 2HB LEU 63 4.621 5.664 -9.129 456 2HB LEU 63 1HB LEU 63 3.668 7.048 -8.618 457 HG LEU 63 HG LEU 63 2.583 6.057 -11.080 458 1HD1 LEU 63 1HD1 LEU 63 3.833 4.008 -9.644 459 2HD1 LEU 63 2HD1 LEU 63 2.589 3.806 -10.881 460 3HD1 LEU 63 3HD1 LEU 63 2.133 3.891 -9.179 461 1HD2 LEU 63 1HD2 LEU 63 0.592 6.282 -9.922 462 2HD2 LEU 63 2HD2 LEU 63 1.626 7.228 -8.852 463 3HD2 LEU 63 3HD2 LEU 63 1.246 5.552 -8.455 464 H MET 64 HN MET 64 3.987 9.505 -11.653 465 HA MET 64 HA MET 64 5.586 11.279 -10.009 466 1HB MET 64 2HB MET 64 3.292 11.662 -11.950 467 2HB MET 64 1HB MET 64 4.150 13.010 -11.214 468 1HG MET 64 2HG MET 64 5.511 10.809 -12.788 469 2HG MET 64 1HG MET 64 5.014 12.349 -13.489 470 1HE MET 64 1HE MET 64 5.265 14.367 -12.431 471 2HE MET 64 2HE MET 64 6.924 14.917 -12.656 472 3HE MET 64 3HE MET 64 6.270 14.753 -11.028 473 H LYS 65 HN LYS 65 4.937 12.480 -8.203 474 HA LYS 65 HA LYS 65 2.958 11.431 -6.484 475 1HB LYS 65 2HB LYS 65 4.897 12.780 -5.805 476 2HB LYS 65 1HB LYS 65 4.226 14.186 -6.630 477 1HG LYS 65 2HG LYS 65 2.265 14.133 -5.132 478 2HG LYS 65 1HG LYS 65 2.939 12.729 -4.302 479 1HD LYS 65 2HD LYS 65 4.903 14.041 -3.633 480 2HD LYS 65 1HD LYS 65 4.276 15.444 -4.498 481 1HE LYS 65 2HE LYS 65 3.589 15.849 -2.271 482 2HE LYS 65 1HE LYS 65 2.151 15.093 -2.986 483 1HZ LYS 65 1HZ LYS 65 2.482 13.185 -1.867 484 2HZ LYS 65 2HZ LYS 65 3.383 14.155 -0.803 485 3HZ LYS 65 3HZ LYS 65 4.171 13.256 -2.011 486 H GLU 66 HN GLU 66 2.818 14.327 -8.592 487 HA GLU 66 HA GLU 66 0.078 14.986 -7.906 488 1HB GLU 66 2HB GLU 66 1.728 16.576 -8.833 489 2HB GLU 66 1HB GLU 66 1.804 15.636 -10.323 490 1HG GLU 66 2HG GLU 66 -0.596 16.051 -10.713 491 2HG GLU 66 1HG GLU 66 -0.675 16.996 -9.226 492 H THR 67 HN THR 67 1.579 13.094 -10.542 493 HA THR 67 HA THR 67 -0.859 12.471 -11.952 494 HB THR 67 HB THR 67 1.689 10.863 -11.576 495 HG1 THR 67 HG1 THR 67 1.895 11.957 -13.808 496 1HG2 THR 67 1HG2 THR 67 0.427 9.344 -12.709 497 2HG2 THR 67 2HG2 THR 67 0.804 10.362 -14.098 498 3HG2 THR 67 3HG2 THR 67 -0.729 10.561 -13.251 499 H LEU 68 HN LEU 68 0.830 10.988 -9.217 500 HA LEU 68 HA LEU 68 -0.768 8.669 -8.860 501 1HB LEU 68 2HB LEU 68 1.420 9.169 -7.811 502 2HB LEU 68 1HB LEU 68 0.684 10.490 -6.906 503 HG LEU 68 HG LEU 68 -0.980 8.590 -6.109 504 1HD1 LEU 68 1HD1 LEU 68 -0.155 6.782 -7.460 505 2HD1 LEU 68 2HD1 LEU 68 0.377 6.457 -5.810 506 3HD1 LEU 68 3HD1 LEU 68 1.512 7.113 -6.989 507 1HD2 LEU 68 1HD2 LEU 68 0.063 9.104 -4.182 508 2HD2 LEU 68 2HD2 LEU 68 1.385 9.809 -5.114 509 3HD2 LEU 68 3HD2 LEU 68 1.445 8.109 -4.645 510 H ARG 69 HN ARG 69 -1.053 11.970 -7.572 511 HA ARG 69 HA ARG 69 -3.510 11.547 -6.100 512 1HB ARG 69 2HB ARG 69 -2.021 13.942 -7.204 513 2HB ARG 69 1HB ARG 69 -3.460 14.098 -6.199 514 1HG ARG 69 2HG ARG 69 -2.343 12.819 -4.402 515 2HG ARG 69 1HG ARG 69 -0.900 12.675 -5.409 516 1HD ARG 69 2HD ARG 69 -0.596 15.098 -5.408 517 2HD ARG 69 1HD ARG 69 -2.113 15.315 -4.513 518 HE ARG 69 HE ARG 69 -0.282 13.471 -3.192 519 1HH1 ARG 69 1HH1 ARG 69 -1.163 16.775 -3.709 520 2HH1 ARG 69 2HH1 ARG 69 -0.519 17.315 -2.195 521 1HH2 ARG 69 1HH2 ARG 69 0.555 14.169 -1.215 522 2HH2 ARG 69 2HH2 ARG 69 0.449 15.843 -0.785 523 H ILE 70 HN ILE 70 -2.748 12.759 -9.359 524 HA ILE 70 HA ILE 70 -5.394 13.603 -10.020 525 HB ILE 70 HB ILE 70 -2.830 13.820 -10.969 526 1HG1 ILE 70 2HG1 ILE 70 -5.308 14.419 -12.590 527 2HG1 ILE 70 1HG1 ILE 70 -4.791 15.375 -11.201 528 1HG2 ILE 70 1HG2 ILE 70 -4.362 12.256 -13.060 529 2HG2 ILE 70 2HG2 ILE 70 -3.001 11.632 -12.131 530 3HG2 ILE 70 3HG2 ILE 70 -2.759 12.968 -13.252 531 1HD1 ILE 70 1HD1 ILE 70 -4.040 16.131 -13.585 532 2HD1 ILE 70 2HD1 ILE 70 -2.871 14.817 -13.452 533 3HD1 ILE 70 3HD1 ILE 70 -2.853 16.136 -12.282 534 H THR 71 HN THR 71 -3.568 10.649 -10.625 535 HA THR 71 HA THR 71 -5.786 9.325 -12.004 536 HB THR 71 HB THR 71 -4.170 7.460 -12.074 537 HG1 THR 71 HG1 THR 71 -2.022 8.272 -11.057 538 1HG2 THR 71 1HG2 THR 71 -2.653 8.458 -13.515 539 2HG2 THR 71 2HG2 THR 71 -2.477 9.892 -12.505 540 3HG2 THR 71 3HG2 THR 71 -3.931 9.673 -13.479 541 H ASN 72 HN ASN 72 -5.945 6.879 -11.007 542 HA ASN 72 HA ASN 72 -6.646 7.180 -8.122 543 1HB ASN 72 2HB ASN 72 -8.522 6.429 -9.296 544 2HB ASN 72 1HB ASN 72 -7.558 5.542 -10.463 545 1HD2 ASN 72 1HD2 ASN 72 -8.658 3.537 -10.186 546 2HD2 ASN 72 2HD2 ASN 72 -8.572 2.637 -8.749 547 H LEU 73 HN LEU 73 -3.926 6.785 -9.534 548 HA LEU 73 HA LEU 73 -2.993 4.121 -8.817 549 1HB LEU 73 2HB LEU 73 -1.657 6.798 -9.332 550 2HB LEU 73 1HB LEU 73 -0.765 5.297 -9.100 551 HG LEU 73 HG LEU 73 -2.882 5.682 -11.243 552 1HD1 LEU 73 1HD1 LEU 73 -0.562 7.022 -11.263 553 2HD1 LEU 73 2HD1 LEU 73 -1.255 6.336 -12.733 554 3HD1 LEU 73 3HD1 LEU 73 0.026 5.477 -11.877 555 1HD2 LEU 73 1HD2 LEU 73 -2.159 3.580 -12.073 556 2HD2 LEU 73 2HD2 LEU 73 -2.247 3.340 -10.329 557 3HD2 LEU 73 3HD2 LEU 73 -0.687 3.608 -11.104 558 H GLY 74 HN GLY 74 -2.986 7.315 -7.231 559 1HA GLY 74 2HA GLY 74 -1.312 6.796 -5.088 560 2HA GLY 74 1HA GLY 74 -2.676 7.902 -4.990 561 H ASP 75 HN ASP 75 -4.526 5.566 -5.613 562 HA ASP 75 HA ASP 75 -5.292 5.055 -2.921 563 1HB ASP 75 2HB ASP 75 -6.961 3.643 -3.958 564 2HB ASP 75 1HB ASP 75 -6.678 5.008 -5.036 565 H LEU 76 HN LEU 76 -2.986 3.441 -4.950 566 HA LEU 76 HA LEU 76 -3.087 0.795 -3.942 567 1HB LEU 76 2HB LEU 76 -0.763 2.482 -4.879 568 2HB LEU 76 1HB LEU 76 -0.723 0.730 -4.725 569 HG LEU 76 HG LEU 76 -2.708 2.237 -6.447 570 1HD1 LEU 76 1HD1 LEU 76 -0.154 0.771 -7.173 571 2HD1 LEU 76 2HD1 LEU 76 -0.470 2.496 -7.373 572 3HD1 LEU 76 3HD1 LEU 76 -1.357 1.319 -8.341 573 1HD2 LEU 76 1HD2 LEU 76 -2.680 -0.388 -5.403 574 2HD2 LEU 76 2HD2 LEU 76 -2.218 -0.539 -7.100 575 3HD2 LEU 76 3HD2 LEU 76 -3.739 0.243 -6.666 576 H LYS 77 HN LYS 77 -2.260 -0.174 -2.176 577 HA LYS 77 HA LYS 77 -0.411 1.312 -0.384 578 1HB LYS 77 2HB LYS 77 -3.047 0.028 0.403 579 2HB LYS 77 1HB LYS 77 -1.833 0.564 1.565 580 1HG LYS 77 2HG LYS 77 -1.974 2.857 0.664 581 2HG LYS 77 1HG LYS 77 -3.190 2.327 -0.496 582 1HD LYS 77 2HD LYS 77 -4.683 1.680 1.360 583 2HD LYS 77 1HD LYS 77 -3.468 2.215 2.522 584 1HE LYS 77 2HE LYS 77 -3.591 4.489 1.199 585 2HE LYS 77 1HE LYS 77 -5.174 3.874 0.680 586 1HZ LYS 77 1HZ LYS 77 -5.624 3.358 3.053 587 2HZ LYS 77 2HZ LYS 77 -5.476 5.021 2.737 588 3HZ LYS 77 3HZ LYS 77 -4.198 4.176 3.470 589 H VAL 78 HN VAL 78 1.068 -0.109 0.630 590 HA VAL 78 HA VAL 78 1.624 -2.514 -0.714 591 HB VAL 78 HB VAL 78 2.386 -1.867 2.148 592 1HG1 VAL 78 1HG1 VAL 78 3.031 -3.990 0.455 593 2HG1 VAL 78 2HG1 VAL 78 3.929 -3.501 1.896 594 3HG1 VAL 78 3HG1 VAL 78 4.415 -2.894 0.308 595 1HG2 VAL 78 1HG2 VAL 78 3.422 -0.016 1.404 596 2HG2 VAL 78 2HG2 VAL 78 2.737 -0.292 -0.198 597 3HG2 VAL 78 3HG2 VAL 78 4.304 -0.981 0.222 598 H GLY 79 HN GLY 79 1.393 -4.699 -0.100 599 1HA GLY 79 2HA GLY 79 0.474 -6.525 1.137 600 2HA GLY 79 1HA GLY 79 -0.410 -5.369 2.136 601 H ASP 80 HN ASP 80 -1.074 -4.012 -0.603 602 HA ASP 80 HA ASP 80 -3.537 -5.614 -1.106 603 1HB ASP 80 2HB ASP 80 -3.469 -3.099 -0.710 604 2HB ASP 80 1HB ASP 80 -2.650 -2.954 -2.261 605 H TRP 81 HN TRP 81 -4.107 -5.979 -3.456 606 HA TRP 81 HA TRP 81 -1.632 -6.478 -5.086 607 1HB TRP 81 2HB TRP 81 -4.271 -7.931 -4.825 608 2HB TRP 81 1HB TRP 81 -3.166 -8.238 -6.159 609 HD1 TRP 81 HD1 TRP 81 -2.531 -7.767 -2.362 610 HE1 TRP 81 HE1 TRP 81 -1.062 -9.718 -1.557 611 HE3 TRP 81 HE3 TRP 81 -2.124 -10.417 -6.711 612 HZ2 TRP 81 HZ2 TRP 81 0.126 -12.099 -2.608 613 HZ3 TRP 81 HZ3 TRP 81 -0.818 -12.524 -6.781 614 HH2 TRP 81 HH2 TRP 81 0.307 -13.366 -4.734 615 H VAL 82 HN VAL 82 -2.119 -6.423 -7.492 616 HA VAL 82 HA VAL 82 -4.183 -4.381 -8.194 617 HB VAL 82 HB VAL 82 -2.108 -3.209 -8.111 618 1HG1 VAL 82 1HG1 VAL 82 -0.234 -4.469 -9.657 619 2HG1 VAL 82 2HG1 VAL 82 -1.060 -5.842 -8.920 620 3HG1 VAL 82 3HG1 VAL 82 -0.323 -4.606 -7.900 621 1HG2 VAL 82 1HG2 VAL 82 -1.977 -2.418 -10.265 622 2HG2 VAL 82 2HG2 VAL 82 -3.420 -3.412 -10.468 623 3HG2 VAL 82 3HG2 VAL 82 -1.841 -4.037 -10.955 624 H ASN 83 HN ASN 83 -4.912 -4.532 -10.394 625 HA ASN 83 HA ASN 83 -4.624 -7.166 -11.718 626 1HB ASN 83 2HB ASN 83 -6.351 -4.791 -11.773 627 2HB ASN 83 1HB ASN 83 -5.959 -5.365 -13.384 628 1HD2 ASN 83 1HD2 ASN 83 -8.490 -5.815 -13.117 629 2HD2 ASN 83 2HD2 ASN 83 -8.883 -7.376 -12.576 630 H VAL 84 HN VAL 84 -2.632 -7.380 -12.725 631 HA VAL 84 HA VAL 84 -1.474 -4.942 -13.998 632 HB VAL 84 HB VAL 84 0.604 -6.641 -13.937 633 1HG1 VAL 84 1HG1 VAL 84 -0.378 -5.220 -11.449 634 2HG1 VAL 84 2HG1 VAL 84 0.287 -4.380 -12.854 635 3HG1 VAL 84 3HG1 VAL 84 1.295 -5.504 -11.938 636 1HG2 VAL 84 1HG2 VAL 84 -0.857 -7.428 -11.424 637 2HG2 VAL 84 2HG2 VAL 84 0.564 -8.177 -12.153 638 3HG2 VAL 84 3HG2 VAL 84 -1.025 -8.391 -12.892 639 H GLU 85 HN GLU 85 -0.970 -4.884 -16.110 640 HA GLU 85 HA GLU 85 -1.294 -7.369 -17.762 641 1HB GLU 85 2HB GLU 85 -3.379 -6.040 -17.735 642 2HB GLU 85 1HB GLU 85 -2.477 -4.612 -18.244 643 1HG GLU 85 2HG GLU 85 -1.830 -5.759 -20.331 644 2HG GLU 85 1HG GLU 85 -2.735 -7.188 -19.825 645 H ARG 86 HN ARG 86 0.249 -7.507 -19.418 646 HA ARG 86 HA ARG 86 2.491 -5.660 -19.299 647 1HB ARG 86 2HB ARG 86 1.759 -8.045 -21.015 648 2HB ARG 86 1HB ARG 86 3.308 -7.213 -21.143 649 1HG ARG 86 2HG ARG 86 3.731 -7.640 -18.743 650 2HG ARG 86 1HG ARG 86 2.195 -8.500 -18.633 651 1HD ARG 86 2HD ARG 86 4.513 -9.283 -20.441 652 2HD ARG 86 1HD ARG 86 4.050 -10.104 -18.938 653 HE ARG 86 HE ARG 86 1.693 -10.026 -20.386 654 1HH1 ARG 86 1HH1 ARG 86 4.927 -11.100 -20.971 655 2HH1 ARG 86 2HH1 ARG 86 4.446 -12.365 -22.051 656 1HH2 ARG 86 1HH2 ARG 86 1.060 -11.674 -21.794 657 2HH2 ARG 86 2HH2 ARG 86 2.262 -12.690 -22.516 658 H ALA 87 HN ALA 87 3.100 -4.107 -20.811 659 HA ALA 87 HA ALA 87 1.406 -3.774 -23.251 660 1HB ALA 87 1HB ALA 87 1.160 -2.224 -21.019 661 2HB ALA 87 2HB ALA 87 0.828 -1.644 -22.652 662 3HB ALA 87 3HB ALA 87 2.393 -1.326 -21.906 663 H ALA 88 HN ALA 88 2.548 -2.951 -25.042 664 HA ALA 88 HA ALA 88 5.503 -2.553 -24.704 665 1HB ALA 88 1HB ALA 88 4.630 -3.956 -27.130 666 2HB ALA 88 2HB ALA 88 4.219 -4.821 -25.649 667 3HB ALA 88 3HB ALA 88 5.896 -4.390 -25.982 668 H LYS 89 HN LYS 89 6.433 -1.130 -26.236 669 HA LYS 89 HA LYS 89 4.702 0.848 -27.449 670 1HB LYS 89 2HB LYS 89 6.884 1.707 -28.287 671 2HB LYS 89 1HB LYS 89 6.938 1.323 -26.567 672 1HG LYS 89 2HG LYS 89 7.672 -1.074 -27.624 673 2HG LYS 89 1HG LYS 89 8.326 0.028 -28.834 674 1HD LYS 89 2HD LYS 89 9.329 1.351 -26.890 675 2HD LYS 89 1HD LYS 89 8.922 -0.032 -25.874 676 1HE LYS 89 2HE LYS 89 10.328 -0.742 -28.378 677 2HE LYS 89 1HE LYS 89 11.292 0.200 -27.223 678 1HZ LYS 89 1HZ LYS 89 11.415 -2.149 -26.687 679 2HZ LYS 89 2HZ LYS 89 9.720 -2.246 -26.598 680 3HZ LYS 89 3HZ LYS 89 10.583 -1.318 -25.465 681 H PHE 90 HN PHE 90 6.335 -2.062 -28.643 682 HA PHE 90 HA PHE 90 4.664 -1.849 -31.088 683 1HB PHE 90 2HB PHE 90 6.541 -2.252 -32.560 684 2HB PHE 90 1HB PHE 90 6.949 -0.878 -31.539 685 HD1 PHE 90 HD1 PHE 90 8.951 -0.890 -30.320 686 HD2 PHE 90 HD2 PHE 90 7.298 -4.610 -31.698 687 HE1 PHE 90 HE1 PHE 90 10.971 -2.086 -29.514 688 HE2 PHE 90 HE2 PHE 90 9.319 -5.806 -30.894 689 HZ PHE 90 HZ PHE 90 11.155 -4.543 -29.802 690 H SER 91 HN SER 91 4.440 -3.961 -32.169 691 HA SER 91 HA SER 91 5.474 -6.338 -30.742 692 1HB SER 91 2HB SER 91 3.403 -5.501 -29.552 693 2HB SER 91 1HB SER 91 2.503 -5.811 -31.035 694 HG SER 91 HG SER 91 3.257 -7.526 -29.115 695 H ASP 92 HN ASP 92 5.317 -8.236 -32.028 696 HA ASP 92 HA ASP 92 5.112 -7.905 -34.898 697 1HB ASP 92 2HB ASP 92 5.235 -10.271 -33.005 698 2HB ASP 92 1HB ASP 92 5.276 -10.445 -34.760 699 H GLU 93 HN GLU 93 2.969 -9.236 -32.391 700 HA GLU 93 HA GLU 93 0.930 -9.859 -34.459 701 1HB GLU 93 2HB GLU 93 1.383 -10.643 -31.567 702 2HB GLU 93 1HB GLU 93 -0.032 -11.152 -32.489 703 1HG GLU 93 2HG GLU 93 1.352 -12.306 -34.102 704 2HG GLU 93 1HG GLU 93 2.821 -11.660 -33.371 705 H ILE 94 HN ILE 94 1.088 -7.161 -34.039 706 HA ILE 94 HA ILE 94 -0.637 -6.066 -32.021 707 HB ILE 94 HB ILE 94 0.106 -5.249 -34.843 708 1HG1 ILE 94 2HG1 ILE 94 1.890 -5.357 -33.062 709 2HG1 ILE 94 1HG1 ILE 94 1.645 -3.743 -33.731 710 1HG2 ILE 94 1HG2 ILE 94 -2.040 -4.212 -34.245 711 2HG2 ILE 94 2HG2 ILE 94 -0.755 -3.004 -34.228 712 3HG2 ILE 94 3HG2 ILE 94 -1.362 -3.666 -32.710 713 1HD1 ILE 94 1HD1 ILE 94 0.206 -3.157 -31.821 714 2HD1 ILE 94 2HD1 ILE 94 1.797 -3.674 -31.263 715 3HD1 ILE 94 3HD1 ILE 94 0.423 -4.774 -31.153 716 H GLY 95 HN GLY 95 -1.286 -7.370 -35.277 717 1HA GLY 95 2HA GLY 95 -3.364 -8.650 -35.614 718 2HA GLY 95 1HA GLY 95 -4.167 -7.537 -34.505 719 H GLY 96 HN GLY 96 -3.514 -5.073 -35.428 720 1HA GLY 96 2HA GLY 96 -3.985 -3.506 -37.112 721 2HA GLY 96 1HA GLY 96 -3.620 -4.772 -38.285 722 H HIS 97 HN HIS 97 -5.392 -4.476 -39.652 723 HA HIS 97 HA HIS 97 -7.653 -4.529 -40.346 724 1HB HIS 97 2HB HIS 97 -7.546 -6.428 -37.987 725 2HB HIS 97 1HB HIS 97 -8.968 -6.270 -39.018 726 HD1 HIS 97 HD1 HIS 97 -8.750 -7.066 -41.499 727 HD2 HIS 97 HD2 HIS 97 -5.359 -7.781 -39.182 728 HE1 HIS 97 HE1 HIS 97 -7.302 -8.667 -42.823 729 1H MET 1 1HT MET 1 -0.127 -0.729 -29.626 730 2H MET 1 2HT MET 1 0.435 -0.586 -28.029 731 3H MET 1 3HT MET 1 1.176 0.298 -29.276 732 HA MET 1 HA MET 1 -0.139 1.978 -28.583 733 1HB MET 1 2HB MET 1 -2.077 0.152 -30.043 734 2HB MET 1 1HB MET 1 -2.278 1.893 -29.839 735 1HG MET 1 2HG MET 1 0.137 0.643 -31.172 736 2HG MET 1 1HG MET 1 -1.278 1.208 -32.061 737 1HE MET 1 1HE MET 1 -2.413 3.160 -31.427 738 2HE MET 1 2HE MET 1 -1.569 4.368 -32.392 739 3HE MET 1 3HE MET 1 -1.775 4.622 -30.661 740 H PHE 2 HN PHE 2 -0.787 2.371 -26.508 741 HA PHE 2 HA PHE 2 -3.264 1.320 -25.479 742 1HB PHE 2 2HB PHE 2 -2.317 -0.055 -23.687 743 2HB PHE 2 1HB PHE 2 -1.734 -0.653 -25.239 744 HD1 PHE 2 HD1 PHE 2 -0.822 1.705 -22.474 745 HD2 PHE 2 HD2 PHE 2 0.581 -0.893 -25.601 746 HE1 PHE 2 HE1 PHE 2 1.517 2.064 -21.725 747 HE2 PHE 2 HE2 PHE 2 2.919 -0.532 -24.848 748 HZ PHE 2 HZ PHE 2 3.386 0.947 -22.911 749 H THR 3 HN THR 3 -3.923 2.625 -23.725 750 HA THR 3 HA THR 3 -1.895 4.474 -22.559 751 HB THR 3 HB THR 3 -3.176 6.377 -23.213 752 HG1 THR 3 HG1 THR 3 -5.296 6.101 -24.050 753 1HG2 THR 3 1HG2 THR 3 -3.818 4.707 -25.605 754 2HG2 THR 3 2HG2 THR 3 -2.124 4.831 -25.128 755 3HG2 THR 3 3HG2 THR 3 -3.044 6.288 -25.514 756 H GLY 4 HN GLY 4 -5.170 3.093 -22.468 757 1HA GLY 4 2HA GLY 4 -6.702 2.910 -20.699 758 2HA GLY 4 1HA GLY 4 -5.277 2.505 -19.740 759 H ILE 5 HN ILE 5 -5.466 5.577 -21.356 760 HA ILE 5 HA ILE 5 -5.078 6.971 -18.824 761 HB ILE 5 HB ILE 5 -5.664 7.982 -21.630 762 1HG1 ILE 5 2HG1 ILE 5 -3.761 6.389 -21.484 763 2HG1 ILE 5 1HG1 ILE 5 -3.236 8.020 -21.900 764 1HG2 ILE 5 1HG2 ILE 5 -5.172 9.312 -19.113 765 2HG2 ILE 5 2HG2 ILE 5 -5.509 10.023 -20.692 766 3HG2 ILE 5 3HG2 ILE 5 -3.846 9.638 -20.234 767 1HD1 ILE 5 1HD1 ILE 5 -1.716 7.390 -20.230 768 2HD1 ILE 5 2HD1 ILE 5 -2.947 6.546 -19.292 769 3HD1 ILE 5 3HD1 ILE 5 -2.919 8.308 -19.327 770 H VAL 6 HN VAL 6 -6.690 7.589 -17.480 771 HA VAL 6 HA VAL 6 -9.458 7.173 -18.284 772 HB VAL 6 HB VAL 6 -7.829 7.574 -15.831 773 1HG1 VAL 6 1HG1 VAL 6 -10.779 8.263 -15.947 774 2HG1 VAL 6 2HG1 VAL 6 -9.466 9.289 -15.368 775 3HG1 VAL 6 3HG1 VAL 6 -9.935 7.854 -14.454 776 1HG2 VAL 6 1HG2 VAL 6 -9.654 5.639 -17.059 777 2HG2 VAL 6 2HG2 VAL 6 -9.922 5.842 -15.329 778 3HG2 VAL 6 3HG2 VAL 6 -8.330 5.369 -15.925 779 H GLN 7 HN GLN 7 -11.026 8.694 -18.607 780 HA GLN 7 HA GLN 7 -10.311 11.431 -19.195 781 1HB GLN 7 2HB GLN 7 -12.907 9.906 -18.876 782 2HB GLN 7 1HB GLN 7 -12.840 11.584 -19.415 783 1HG GLN 7 2HG GLN 7 -11.386 9.289 -20.761 784 2HG GLN 7 1HG GLN 7 -12.916 9.968 -21.317 785 1HE2 GLN 7 1HE2 GLN 7 -9.534 10.262 -21.614 786 2HE2 GLN 7 2HE2 GLN 7 -9.489 11.797 -22.338 787 H GLY 8 HN GLY 8 -11.808 9.818 -16.379 788 1HA GLY 8 2HA GLY 8 -11.432 12.284 -14.789 789 2HA GLY 8 1HA GLY 8 -13.105 11.815 -15.087 790 H THR 9 HN THR 9 -12.610 11.836 -12.516 791 HA THR 9 HA THR 9 -11.845 9.036 -11.761 792 HB THR 9 HB THR 9 -11.500 10.367 -9.487 793 HG1 THR 9 HG1 THR 9 -10.630 12.498 -10.281 794 1HG2 THR 9 1HG2 THR 9 -9.817 9.888 -11.850 795 2HG2 THR 9 2HG2 THR 9 -9.497 9.543 -10.150 796 3HG2 THR 9 3HG2 THR 9 -9.213 11.161 -10.790 797 H ALA 10 HN ALA 10 -12.917 8.341 -9.661 798 HA ALA 10 HA ALA 10 -15.720 9.397 -9.377 799 1HB ALA 10 1HB ALA 10 -14.765 6.880 -10.473 800 2HB ALA 10 2HB ALA 10 -16.417 7.499 -10.395 801 3HB ALA 10 3HB ALA 10 -15.751 6.595 -9.037 802 H LYS 11 HN LYS 11 -16.558 9.128 -7.247 803 HA LYS 11 HA LYS 11 -14.475 8.424 -5.209 804 1HB LYS 11 2HB LYS 11 -15.258 10.733 -5.188 805 2HB LYS 11 1HB LYS 11 -16.931 10.188 -5.132 806 1HG LYS 11 2HG LYS 11 -16.583 9.156 -2.959 807 2HG LYS 11 1HG LYS 11 -14.864 9.542 -3.017 808 1HD LYS 11 2HD LYS 11 -15.199 11.736 -2.485 809 2HD LYS 11 1HD LYS 11 -16.714 11.830 -3.387 810 1HE LYS 11 2HE LYS 11 -17.905 10.645 -1.610 811 2HE LYS 11 1HE LYS 11 -16.386 10.402 -0.722 812 1HZ LYS 11 1HZ LYS 11 -16.093 12.748 -0.525 813 2HZ LYS 11 2HZ LYS 11 -17.663 12.387 0.015 814 3HZ LYS 11 3HZ LYS 11 -17.427 13.065 -1.524 815 H LEU 12 HN LEU 12 -14.834 6.445 -4.294 816 HA LEU 12 HA LEU 12 -17.321 4.988 -4.336 817 1HB LEU 12 2HB LEU 12 -14.808 4.336 -3.798 818 2HB LEU 12 1HB LEU 12 -15.250 4.788 -2.165 819 HG LEU 12 HG LEU 12 -16.986 3.128 -2.083 820 1HD1 LEU 12 1HD1 LEU 12 -17.981 3.226 -4.233 821 2HD1 LEU 12 2HD1 LEU 12 -17.255 1.620 -4.166 822 3HD1 LEU 12 3HD1 LEU 12 -16.448 2.917 -5.048 823 1HD2 LEU 12 1HD2 LEU 12 -15.242 1.262 -3.388 824 2HD2 LEU 12 2HD2 LEU 12 -15.411 1.569 -1.660 825 3HD2 LEU 12 3HD2 LEU 12 -14.247 2.493 -2.610 826 H VAL 13 HN VAL 13 -19.105 5.420 -3.172 827 HA VAL 13 HA VAL 13 -18.815 7.013 -0.655 828 HB VAL 13 HB VAL 13 -19.737 8.462 -2.258 829 1HG1 VAL 13 1HG1 VAL 13 -20.369 7.522 -4.199 830 2HG1 VAL 13 2HG1 VAL 13 -21.954 7.346 -3.443 831 3HG1 VAL 13 3HG1 VAL 13 -20.812 6.005 -3.412 832 1HG2 VAL 13 1HG2 VAL 13 -22.106 7.136 -0.917 833 2HG2 VAL 13 2HG2 VAL 13 -22.097 8.760 -1.605 834 3HG2 VAL 13 3HG2 VAL 13 -21.096 8.392 -0.202 835 H SER 14 HN SER 14 -20.481 4.457 -2.395 836 HA SER 14 HA SER 14 -21.386 3.356 0.229 837 1HB SER 14 2HB SER 14 -23.010 4.851 -1.360 838 2HB SER 14 1HB SER 14 -23.319 3.245 -2.008 839 HG SER 14 HG SER 14 -24.693 3.394 -0.334 840 H ILE 15 HN ILE 15 -21.423 1.097 0.256 841 HA ILE 15 HA ILE 15 -20.787 -0.303 -2.324 842 HB ILE 15 HB ILE 15 -20.524 -1.350 0.508 843 1HG1 ILE 15 2HG1 ILE 15 -18.480 -0.004 -1.279 844 2HG1 ILE 15 1HG1 ILE 15 -19.079 0.579 0.268 845 1HG2 ILE 15 1HG2 ILE 15 -19.851 -2.316 -2.242 846 2HG2 ILE 15 2HG2 ILE 15 -20.455 -3.220 -0.854 847 3HG2 ILE 15 3HG2 ILE 15 -18.754 -2.747 -0.930 848 1HD1 ILE 15 1HD1 ILE 15 -17.359 -0.523 1.228 849 2HD1 ILE 15 2HD1 ILE 15 -16.981 -1.364 -0.276 850 3HD1 ILE 15 3HD1 ILE 15 -18.207 -2.014 0.814 851 H ASP 16 HN ASP 16 -22.319 -1.696 -3.107 852 HA ASP 16 HA ASP 16 -24.690 -2.286 -1.376 853 1HB ASP 16 2HB ASP 16 -24.208 -1.933 -4.317 854 2HB ASP 16 1HB ASP 16 -25.586 -2.893 -3.777 855 H GLU 17 HN GLU 17 -24.506 -4.312 -0.488 856 HA GLU 17 HA GLU 17 -22.930 -6.363 -1.980 857 1HB GLU 17 2HB GLU 17 -22.227 -5.695 0.294 858 2HB GLU 17 1HB GLU 17 -23.813 -6.151 0.917 859 1HG GLU 17 2HG GLU 17 -23.436 -8.477 0.182 860 2HG GLU 17 1HG GLU 17 -21.849 -8.023 -0.439 861 H LYS 18 HN LYS 18 -24.252 -7.666 -3.194 862 HA LYS 18 HA LYS 18 -26.852 -8.569 -1.998 863 1HB LYS 18 2HB LYS 18 -26.002 -8.881 -4.880 864 2HB LYS 18 1HB LYS 18 -27.633 -8.804 -4.221 865 1HG LYS 18 2HG LYS 18 -26.590 -6.384 -3.431 866 2HG LYS 18 1HG LYS 18 -25.826 -6.618 -5.004 867 1HD LYS 18 2HD LYS 18 -28.804 -6.862 -4.485 868 2HD LYS 18 1HD LYS 18 -28.019 -5.441 -5.175 869 1HE LYS 18 2HE LYS 18 -27.692 -8.188 -6.407 870 2HE LYS 18 1HE LYS 18 -29.013 -7.096 -6.870 871 1HZ LYS 18 1HZ LYS 18 -27.345 -6.428 -8.291 872 2HZ LYS 18 2HZ LYS 18 -26.107 -6.720 -7.165 873 3HZ LYS 18 3HZ LYS 18 -27.113 -5.360 -6.994 874 HA PRO 19 HA PRO 19 -24.845 -12.412 -1.151 875 1HB PRO 19 2HB PRO 19 -27.201 -13.944 -1.463 876 2HB PRO 19 1HB PRO 19 -26.596 -13.237 0.047 877 1HG PRO 19 2HG PRO 19 -28.687 -12.241 -1.800 878 2HG PRO 19 1HG PRO 19 -28.558 -12.079 -0.041 879 1HD PRO 19 2HD PRO 19 -28.058 -10.019 -1.688 880 2HD PRO 19 1HD PRO 19 -27.141 -10.254 -0.180 881 H ASN 20 HN ASN 20 -26.735 -11.764 -4.025 882 HA ASN 20 HA ASN 20 -25.700 -14.186 -5.405 883 1HB ASN 20 2HB ASN 20 -27.308 -11.919 -6.592 884 2HB ASN 20 1HB ASN 20 -27.282 -13.613 -7.081 885 1HD2 ASN 20 1HD2 ASN 20 -28.956 -11.320 -5.175 886 2HD2 ASN 20 2HD2 ASN 20 -29.916 -12.404 -4.292 887 H PHE 21 HN PHE 21 -25.320 -10.673 -5.357 888 HA PHE 21 HA PHE 21 -22.827 -10.930 -6.977 889 1HB PHE 21 2HB PHE 21 -25.055 -8.966 -7.587 890 2HB PHE 21 1HB PHE 21 -23.624 -9.294 -8.563 891 HD1 PHE 21 HD1 PHE 21 -23.319 -11.850 -9.254 892 HD2 PHE 21 HD2 PHE 21 -27.049 -10.025 -8.156 893 HE1 PHE 21 HE1 PHE 21 -24.546 -13.638 -10.461 894 HE2 PHE 21 HE2 PHE 21 -28.279 -11.814 -9.358 895 HZ PHE 21 HZ PHE 21 -27.028 -13.620 -10.511 896 H ARG 22 HN ARG 22 -21.355 -9.162 -6.585 897 HA ARG 22 HA ARG 22 -22.064 -7.446 -4.250 898 1HB ARG 22 2HB ARG 22 -19.939 -8.765 -4.277 899 2HB ARG 22 1HB ARG 22 -19.427 -7.837 -5.688 900 1HG ARG 22 2HG ARG 22 -19.534 -5.761 -4.417 901 2HG ARG 22 1HG ARG 22 -20.168 -6.619 -3.014 902 1HD ARG 22 2HD ARG 22 -18.075 -7.922 -2.852 903 2HD ARG 22 1HD ARG 22 -17.427 -7.052 -4.258 904 HE ARG 22 HE ARG 22 -18.190 -4.987 -2.642 905 1HH1 ARG 22 1HH1 ARG 22 -16.385 -7.887 -2.085 906 2HH1 ARG 22 2HH1 ARG 22 -15.440 -7.202 -0.807 907 1HH2 ARG 22 1HH2 ARG 22 -16.962 -4.094 -0.977 908 2HH2 ARG 22 2HH2 ARG 22 -15.765 -5.061 -0.181 909 H THR 23 HN THR 23 -22.134 -5.222 -4.451 910 HA THR 23 HA THR 23 -21.857 -4.083 -7.214 911 HB THR 23 HB THR 23 -24.006 -3.569 -5.133 912 HG1 THR 23 HG1 THR 23 -23.745 -5.372 -7.229 913 1HG2 THR 23 1HG2 THR 23 -24.889 -2.009 -6.555 914 2HG2 THR 23 2HG2 THR 23 -24.370 -2.881 -7.997 915 3HG2 THR 23 3HG2 THR 23 -23.217 -1.888 -7.104 916 H HIS 24 HN HIS 24 -21.055 -1.926 -7.266 917 HA HIS 24 HA HIS 24 -20.433 -0.696 -4.606 918 1HB HIS 24 2HB HIS 24 -18.695 -1.736 -6.708 919 2HB HIS 24 1HB HIS 24 -18.316 -0.063 -6.282 920 HD1 HIS 24 HD1 HIS 24 -17.222 -3.231 -5.330 921 HD2 HIS 24 HD2 HIS 24 -18.671 -0.015 -3.118 922 HE1 HIS 24 HE1 HIS 24 -16.471 -3.604 -2.935 923 H VAL 25 HN VAL 25 -20.899 1.476 -4.509 924 HA VAL 25 HA VAL 25 -21.691 2.808 -7.071 925 HB VAL 25 HB VAL 25 -22.504 3.522 -4.259 926 1HG1 VAL 25 1HG1 VAL 25 -24.550 4.334 -5.585 927 2HG1 VAL 25 2HG1 VAL 25 -23.562 4.102 -7.027 928 3HG1 VAL 25 3HG1 VAL 25 -23.060 5.253 -5.790 929 1HG2 VAL 25 1HG2 VAL 25 -24.656 2.205 -5.059 930 2HG2 VAL 25 2HG2 VAL 25 -23.306 1.334 -4.330 931 3HG2 VAL 25 3HG2 VAL 25 -23.497 1.356 -6.083 932 H VAL 26 HN VAL 26 -20.654 4.605 -7.664 933 HA VAL 26 HA VAL 26 -18.736 5.862 -5.735 934 HB VAL 26 HB VAL 26 -17.346 6.255 -7.698 935 1HG1 VAL 26 1HG1 VAL 26 -18.398 3.442 -7.997 936 2HG1 VAL 26 2HG1 VAL 26 -17.473 3.936 -6.579 937 3HG1 VAL 26 3HG1 VAL 26 -16.739 4.014 -8.181 938 1HG2 VAL 26 1HG2 VAL 26 -18.202 5.227 -9.913 939 2HG2 VAL 26 2HG2 VAL 26 -18.891 6.772 -9.417 940 3HG2 VAL 26 3HG2 VAL 26 -19.799 5.280 -9.168 941 H GLU 27 HN GLU 27 -18.253 8.209 -6.412 942 HA GLU 27 HA GLU 27 -20.801 9.614 -7.051 943 1HB GLU 27 2HB GLU 27 -19.057 9.869 -5.011 944 2HB GLU 27 1HB GLU 27 -18.293 10.942 -6.179 945 1HG GLU 27 2HG GLU 27 -20.244 12.313 -6.337 946 2HG GLU 27 1HG GLU 27 -21.218 11.144 -5.450 947 H LEU 28 HN LEU 28 -20.968 10.147 -9.164 948 HA LEU 28 HA LEU 28 -18.638 10.188 -10.917 949 1HB LEU 28 2HB LEU 28 -21.277 9.491 -10.991 950 2HB LEU 28 1HB LEU 28 -21.315 11.033 -11.816 951 HG LEU 28 HG LEU 28 -20.937 9.529 -13.573 952 1HD1 LEU 28 1HD1 LEU 28 -18.920 10.168 -14.417 953 2HD1 LEU 28 2HD1 LEU 28 -18.042 9.746 -12.950 954 3HD1 LEU 28 3HD1 LEU 28 -18.945 11.260 -13.035 955 1HD2 LEU 28 1HD2 LEU 28 -19.822 7.474 -13.392 956 2HD2 LEU 28 2HD2 LEU 28 -20.541 7.662 -11.791 957 3HD2 LEU 28 3HD2 LEU 28 -18.832 8.021 -12.038 958 HA PRO 29 HA PRO 29 -18.132 14.569 -10.092 959 1HB PRO 29 2HB PRO 29 -16.172 14.931 -12.002 960 2HB PRO 29 1HB PRO 29 -15.876 14.396 -10.341 961 1HG PRO 29 2HG PRO 29 -15.995 12.812 -12.841 962 2HG PRO 29 1HG PRO 29 -15.005 12.572 -11.394 963 1HD PRO 29 2HD PRO 29 -17.198 11.081 -11.971 964 2HD PRO 29 1HD PRO 29 -16.641 11.393 -10.313 965 H ASP 30 HN ASP 30 -18.142 16.571 -11.527 966 HA ASP 30 HA ASP 30 -20.485 16.592 -13.106 967 1HB ASP 30 2HB ASP 30 -19.716 18.882 -13.668 968 2HB ASP 30 1HB ASP 30 -19.477 18.527 -11.956 969 H HIS 31 HN HIS 31 -17.072 16.270 -14.099 970 HA HIS 31 HA HIS 31 -17.848 16.533 -16.922 971 1HB HIS 31 2HB HIS 31 -15.451 16.553 -17.300 972 2HB HIS 31 1HB HIS 31 -15.801 17.557 -15.900 973 HD1 HIS 31 HD1 HIS 31 -16.243 14.595 -14.287 974 HD2 HIS 31 HD2 HIS 31 -12.839 16.261 -16.011 975 HE1 HIS 31 HE1 HIS 31 -14.257 13.477 -13.179 976 H MET 32 HN MET 32 -17.942 14.011 -14.801 977 HA MET 32 HA MET 32 -17.665 12.071 -17.068 978 1HB MET 32 2HB MET 32 -17.265 11.696 -14.083 979 2HB MET 32 1HB MET 32 -17.289 10.371 -15.248 980 1HG MET 32 2HG MET 32 -15.367 12.710 -15.295 981 2HG MET 32 1HG MET 32 -14.978 11.072 -14.768 982 1HE MET 32 1HE MET 32 -15.431 8.921 -17.891 983 2HE MET 32 2HE MET 32 -16.378 9.193 -16.432 984 3HE MET 32 3HE MET 32 -14.628 9.034 -16.320 985 H LEU 33 HN LEU 33 -19.748 13.641 -14.857 986 HA LEU 33 HA LEU 33 -21.838 11.663 -14.579 987 1HB LEU 33 2HB LEU 33 -21.532 14.648 -14.373 988 2HB LEU 33 1HB LEU 33 -23.151 13.952 -14.346 989 HG LEU 33 HG LEU 33 -20.987 12.868 -12.540 990 1HD1 LEU 33 1HD1 LEU 33 -22.603 14.546 -10.999 991 2HD1 LEU 33 2HD1 LEU 33 -22.246 15.500 -12.438 992 3HD1 LEU 33 3HD1 LEU 33 -20.929 14.852 -11.460 993 1HD2 LEU 33 1HD2 LEU 33 -22.936 12.193 -11.210 994 2HD2 LEU 33 2HD2 LEU 33 -23.120 11.617 -12.866 995 3HD2 LEU 33 3HD2 LEU 33 -24.013 13.038 -12.321 996 H ASP 34 HN ASP 34 -21.067 14.155 -16.972 997 HA ASP 34 HA ASP 34 -23.491 13.964 -18.496 998 1HB ASP 34 2HB ASP 34 -20.669 14.927 -18.981 999 2HB ASP 34 1HB ASP 34 -21.926 15.088 -20.211 1000 H GLY 35 HN GLY 35 -24.087 12.477 -20.033 1001 1HA GLY 35 2HA GLY 35 -23.701 11.088 -21.936 1002 2HA GLY 35 1HA GLY 35 -21.992 11.021 -21.512 1003 H LEU 36 HN LEU 36 -22.280 10.167 -18.798 1004 HA LEU 36 HA LEU 36 -22.408 7.341 -19.241 1005 1HB LEU 36 2HB LEU 36 -21.006 8.471 -17.558 1006 2HB LEU 36 1HB LEU 36 -22.454 8.983 -16.692 1007 HG LEU 36 HG LEU 36 -23.080 6.625 -16.331 1008 1HD1 LEU 36 1HD1 LEU 36 -20.626 5.322 -16.938 1009 2HD1 LEU 36 2HD1 LEU 36 -21.102 6.222 -18.377 1010 3HD1 LEU 36 3HD1 LEU 36 -22.206 5.042 -17.671 1011 1HD2 LEU 36 1HD2 LEU 36 -20.765 6.053 -15.068 1012 2HD2 LEU 36 2HD2 LEU 36 -21.898 7.262 -14.463 1013 3HD2 LEU 36 3HD2 LEU 36 -20.491 7.764 -15.399 1014 H GLU 37 HN GLU 37 -23.978 5.828 -18.651 1015 HA GLU 37 HA GLU 37 -26.470 6.738 -17.322 1016 1HB GLU 37 2HB GLU 37 -27.857 5.953 -19.148 1017 2HB GLU 37 1HB GLU 37 -26.647 7.034 -19.841 1018 1HG GLU 37 2HG GLU 37 -25.288 5.151 -20.549 1019 2HG GLU 37 1HG GLU 37 -26.361 4.019 -19.727 1020 H THR 38 HN THR 38 -27.873 4.720 -16.856 1021 HA THR 38 HA THR 38 -26.293 2.645 -15.646 1022 HB THR 38 HB THR 38 -28.816 1.626 -15.984 1023 HG1 THR 38 HG1 THR 38 -29.950 3.179 -16.802 1024 1HG2 THR 38 1HG2 THR 38 -27.330 3.082 -13.957 1025 2HG2 THR 38 2HG2 THR 38 -28.426 1.713 -13.775 1026 3HG2 THR 38 3HG2 THR 38 -29.066 3.355 -13.824 1027 H GLY 39 HN GLY 39 -25.935 0.478 -16.390 1028 1HA GLY 39 2HA GLY 39 -25.811 -1.287 -17.966 1029 2HA GLY 39 1HA GLY 39 -26.864 -0.368 -19.040 1030 H ALA 40 HN ALA 40 -24.649 1.835 -18.149 1031 HA ALA 40 HA ALA 40 -23.126 1.683 -20.632 1032 1HB ALA 40 1HB ALA 40 -21.948 3.626 -19.444 1033 2HB ALA 40 2HB ALA 40 -23.057 3.345 -18.100 1034 3HB ALA 40 3HB ALA 40 -23.686 3.820 -19.678 1035 H SER 41 HN SER 41 -20.732 1.425 -20.648 1036 HA SER 41 HA SER 41 -19.813 -0.427 -18.494 1037 1HB SER 41 2HB SER 41 -17.884 -0.502 -20.372 1038 2HB SER 41 1HB SER 41 -19.347 -1.471 -20.486 1039 HG SER 41 HG SER 41 -20.079 -0.206 -22.029 1040 H VAL 42 HN VAL 42 -18.689 0.557 -16.894 1041 HA VAL 42 HA VAL 42 -17.016 2.951 -17.555 1042 HB VAL 42 HB VAL 42 -18.572 1.980 -15.193 1043 1HG1 VAL 42 1HG1 VAL 42 -17.050 3.858 -13.980 1044 2HG1 VAL 42 2HG1 VAL 42 -15.837 3.090 -15.005 1045 3HG1 VAL 42 3HG1 VAL 42 -16.748 2.126 -13.842 1046 1HG2 VAL 42 1HG2 VAL 42 -19.611 3.835 -16.027 1047 2HG2 VAL 42 2HG2 VAL 42 -18.124 4.448 -16.758 1048 3HG2 VAL 42 3HG2 VAL 42 -18.413 4.668 -15.034 1049 H ALA 43 HN ALA 43 -14.847 2.576 -17.636 1050 HA ALA 43 HA ALA 43 -13.745 0.062 -16.504 1051 1HB ALA 43 1HB ALA 43 -11.631 1.173 -17.568 1052 2HB ALA 43 2HB ALA 43 -12.791 2.269 -18.318 1053 3HB ALA 43 3HB ALA 43 -12.877 0.537 -18.641 1054 H HIS 44 HN HIS 44 -13.136 0.151 -14.390 1055 HA HIS 44 HA HIS 44 -12.524 2.759 -13.119 1056 1HB HIS 44 2HB HIS 44 -13.133 -0.051 -12.294 1057 2HB HIS 44 1HB HIS 44 -12.182 0.930 -11.179 1058 HD1 HIS 44 HD1 HIS 44 -14.940 2.290 -13.415 1059 HD2 HIS 44 HD2 HIS 44 -14.238 1.538 -9.365 1060 HE1 HIS 44 HE1 HIS 44 -16.870 3.329 -12.141 1061 HE2 HIS 44 HE2 HIS 44 -16.449 2.876 -9.685 1062 H ASN 45 HN ASN 45 -10.554 3.383 -13.849 1063 HA ASN 45 HA ASN 45 -8.239 3.399 -14.226 1064 1HB ASN 45 2HB ASN 45 -8.561 2.211 -11.828 1065 2HB ASN 45 1HB ASN 45 -7.864 0.861 -12.726 1066 1HD2 ASN 45 1HD2 ASN 45 -7.168 3.930 -11.264 1067 2HD2 ASN 45 2HD2 ASN 45 -5.544 4.033 -11.732 1068 H GLY 46 HN GLY 46 -10.376 1.286 -15.485 1069 1HA GLY 46 2HA GLY 46 -9.624 0.679 -17.821 1070 2HA GLY 46 1HA GLY 46 -8.261 -0.125 -17.048 1071 H CYS 47 HN CYS 47 -10.518 -0.898 -14.882 1072 HA CYS 47 HA CYS 47 -11.063 -3.490 -16.192 1073 1HB CYS 47 2HB CYS 47 -10.328 -3.220 -13.802 1074 2HB CYS 47 1HB CYS 47 -11.868 -2.433 -13.458 1075 HG CYS 47 HG CYS 47 -11.610 -5.421 -14.346 1076 H CYS 48 HN CYS 48 -12.758 -3.468 -17.617 1077 HA CYS 48 HA CYS 48 -14.837 -1.470 -17.495 1078 1HB CYS 48 2HB CYS 48 -15.689 -2.778 -19.466 1079 2HB CYS 48 1HB CYS 48 -13.982 -2.352 -19.592 1080 HG CYS 48 HG CYS 48 -13.520 -4.772 -19.777 1081 H LEU 49 HN LEU 49 -16.456 -1.575 -16.032 1082 HA LEU 49 HA LEU 49 -17.962 -4.146 -15.822 1083 1HB LEU 49 2HB LEU 49 -18.397 -3.346 -13.395 1084 2HB LEU 49 1HB LEU 49 -16.802 -4.008 -13.752 1085 HG LEU 49 HG LEU 49 -17.034 -1.117 -14.258 1086 1HD1 LEU 49 1HD1 LEU 49 -18.164 -2.186 -11.862 1087 2HD1 LEU 49 2HD1 LEU 49 -17.920 -0.493 -12.288 1088 3HD1 LEU 49 3HD1 LEU 49 -16.655 -1.379 -11.437 1089 1HD2 LEU 49 1HD2 LEU 49 -15.089 -2.306 -12.335 1090 2HD2 LEU 49 2HD2 LEU 49 -14.808 -1.163 -13.649 1091 3HD2 LEU 49 3HD2 LEU 49 -14.995 -2.881 -13.999 1092 H THR 50 HN THR 50 -20.293 -3.721 -15.316 1093 HA THR 50 HA THR 50 -21.090 -1.293 -16.819 1094 HB THR 50 HB THR 50 -22.605 -3.816 -16.087 1095 HG1 THR 50 HG1 THR 50 -20.823 -3.128 -18.122 1096 1HG2 THR 50 1HG2 THR 50 -23.166 -1.969 -18.401 1097 2HG2 THR 50 2HG2 THR 50 -23.844 -1.642 -16.807 1098 3HG2 THR 50 3HG2 THR 50 -24.239 -3.144 -17.641 1099 H VAL 51 HN VAL 51 -22.925 -0.016 -16.185 1100 HA VAL 51 HA VAL 51 -23.086 0.492 -13.319 1101 HB VAL 51 HB VAL 51 -24.765 1.577 -15.607 1102 1HG1 VAL 51 1HG1 VAL 51 -24.111 2.497 -12.814 1103 2HG1 VAL 51 2HG1 VAL 51 -25.696 2.273 -13.552 1104 3HG1 VAL 51 3HG1 VAL 51 -24.673 3.620 -14.053 1105 1HG2 VAL 51 1HG2 VAL 51 -23.027 2.805 -16.323 1106 2HG2 VAL 51 2HG2 VAL 51 -22.014 1.652 -15.458 1107 3HG2 VAL 51 3HG2 VAL 51 -22.486 3.167 -14.685 1108 H THR 52 HN THR 52 -24.299 -0.861 -12.059 1109 HA THR 52 HA THR 52 -26.657 -2.308 -12.988 1110 HB THR 52 HB THR 52 -26.777 -2.987 -10.692 1111 HG1 THR 52 HG1 THR 52 -26.700 -1.227 -9.488 1112 1HG2 THR 52 1HG2 THR 52 -23.851 -2.385 -11.080 1113 2HG2 THR 52 2HG2 THR 52 -24.687 -3.599 -12.042 1114 3HG2 THR 52 3HG2 THR 52 -24.579 -3.783 -10.291 1115 H GLU 53 HN GLU 53 -26.011 0.702 -11.192 1116 HA GLU 53 HA GLU 53 -28.697 1.713 -11.935 1117 1HB GLU 53 2HB GLU 53 -29.016 0.260 -9.941 1118 2HB GLU 53 1HB GLU 53 -27.854 1.253 -9.059 1119 1HG GLU 53 2HG GLU 53 -29.291 3.232 -9.386 1120 2HG GLU 53 1HG GLU 53 -30.456 2.241 -10.265 1121 H ILE 54 HN ILE 54 -28.892 3.992 -11.554 1122 HA ILE 54 HA ILE 54 -26.348 5.384 -10.753 1123 HB ILE 54 HB ILE 54 -28.662 6.184 -12.556 1124 1HG1 ILE 54 2HG1 ILE 54 -25.810 6.193 -13.399 1125 2HG1 ILE 54 1HG1 ILE 54 -26.558 4.615 -13.169 1126 1HG2 ILE 54 1HG2 ILE 54 -26.587 7.757 -11.160 1127 2HG2 ILE 54 2HG2 ILE 54 -28.124 8.283 -11.848 1128 3HG2 ILE 54 3HG2 ILE 54 -26.715 8.080 -12.889 1129 1HD1 ILE 54 1HD1 ILE 54 -28.216 6.554 -14.658 1130 2HD1 ILE 54 2HD1 ILE 54 -27.908 4.848 -14.993 1131 3HD1 ILE 54 3HD1 ILE 54 -26.732 6.070 -15.482 1132 H ASN 55 HN ASN 55 -26.449 6.524 -8.912 1133 HA ASN 55 HA ASN 55 -29.127 6.940 -7.640 1134 1HB ASN 55 2HB ASN 55 -26.305 6.531 -6.730 1135 2HB ASN 55 1HB ASN 55 -27.382 7.457 -5.683 1136 1HD2 ASN 55 1HD2 ASN 55 -26.950 4.269 -7.229 1137 2HD2 ASN 55 2HD2 ASN 55 -28.033 3.447 -6.211 1138 H GLY 56 HN GLY 56 -29.045 8.754 -9.488 1139 1HA GLY 56 2HA GLY 56 -29.114 11.114 -9.774 1140 2HA GLY 56 1HA GLY 56 -28.395 11.302 -8.171 1141 H ASN 57 HN ASN 57 -26.273 11.905 -8.135 1142 HA ASN 57 HA ASN 57 -24.706 11.858 -10.624 1143 1HB ASN 57 2HB ASN 57 -23.566 13.508 -9.562 1144 2HB ASN 57 1HB ASN 57 -24.812 13.410 -8.340 1145 1HD2 ASN 57 1HD2 ASN 57 -21.791 11.781 -9.235 1146 2HD2 ASN 57 2HD2 ASN 57 -21.243 11.519 -7.654 1147 H HIS 58 HN HIS 58 -25.186 9.893 -7.791 1148 HA HIS 58 HA HIS 58 -22.637 8.525 -7.825 1149 1HB HIS 58 2HB HIS 58 -25.346 8.129 -6.598 1150 2HB HIS 58 1HB HIS 58 -24.151 6.844 -6.482 1151 HD1 HIS 58 HD1 HIS 58 -25.288 9.257 -4.350 1152 HD2 HIS 58 HD2 HIS 58 -21.440 8.497 -5.780 1153 HE1 HIS 58 HE1 HIS 58 -23.681 10.293 -2.691 1154 H VAL 59 HN VAL 59 -22.321 6.259 -8.436 1155 HA VAL 59 HA VAL 59 -24.405 5.140 -10.238 1156 HB VAL 59 HB VAL 59 -21.498 5.671 -10.896 1157 1HG1 VAL 59 1HG1 VAL 59 -21.909 4.548 -13.007 1158 2HG1 VAL 59 2HG1 VAL 59 -23.592 4.273 -12.569 1159 3HG1 VAL 59 3HG1 VAL 59 -22.308 3.431 -11.700 1160 1HG2 VAL 59 1HG2 VAL 59 -23.043 6.682 -12.906 1161 2HG2 VAL 59 2HG2 VAL 59 -22.525 7.622 -11.506 1162 3HG2 VAL 59 3HG2 VAL 59 -24.129 6.882 -11.527 1163 H SER 60 HN SER 60 -24.810 3.139 -9.480 1164 HA SER 60 HA SER 60 -22.823 1.654 -7.861 1165 1HB SER 60 2HB SER 60 -25.632 0.949 -8.753 1166 2HB SER 60 1HB SER 60 -24.736 0.221 -7.424 1167 HG SER 60 HG SER 60 -25.951 1.740 -6.458 1168 H PHE 61 HN PHE 61 -21.474 0.125 -8.828 1169 HA PHE 61 HA PHE 61 -22.262 -0.838 -11.564 1170 1HB PHE 61 2HB PHE 61 -19.586 -0.683 -10.127 1171 2HB PHE 61 1HB PHE 61 -19.809 -1.301 -11.762 1172 HD1 PHE 61 HD1 PHE 61 -20.389 0.193 -13.614 1173 HD2 PHE 61 HD2 PHE 61 -19.796 1.694 -9.631 1174 HE1 PHE 61 HE1 PHE 61 -20.230 2.503 -14.508 1175 HE2 PHE 61 HE2 PHE 61 -19.638 4.003 -10.525 1176 HZ PHE 61 HZ PHE 61 -19.852 4.408 -12.963 1177 H ASP 62 HN ASP 62 -21.892 -3.140 -12.023 1178 HA ASP 62 HA ASP 62 -22.340 -4.856 -9.650 1179 1HB ASP 62 2HB ASP 62 -22.752 -6.578 -11.426 1180 2HB ASP 62 1HB ASP 62 -23.756 -5.147 -11.624 1181 H LEU 63 HN LEU 63 -21.026 -6.549 -9.073 1182 HA LEU 63 HA LEU 63 -18.422 -6.947 -10.426 1183 1HB LEU 63 2HB LEU 63 -18.940 -5.142 -8.258 1184 2HB LEU 63 1HB LEU 63 -17.950 -6.461 -7.653 1185 HG LEU 63 HG LEU 63 -16.957 -5.686 -10.228 1186 1HD1 LEU 63 1HD1 LEU 63 -18.195 -3.531 -8.952 1187 2HD1 LEU 63 2HD1 LEU 63 -16.985 -3.426 -10.233 1188 3HD1 LEU 63 3HD1 LEU 63 -16.487 -3.351 -8.542 1189 1HD2 LEU 63 1HD2 LEU 63 -15.540 -4.922 -7.714 1190 2HD2 LEU 63 2HD2 LEU 63 -14.929 -5.792 -9.120 1191 3HD2 LEU 63 3HD2 LEU 63 -15.918 -6.630 -7.925 1192 H MET 64 HN MET 64 -18.325 -9.189 -10.442 1193 HA MET 64 HA MET 64 -19.843 -10.827 -8.593 1194 1HB MET 64 2HB MET 64 -17.605 -11.355 -10.564 1195 2HB MET 64 1HB MET 64 -18.421 -12.641 -9.681 1196 1HG MET 64 2HG MET 64 -19.863 -10.610 -11.402 1197 2HG MET 64 1HG MET 64 -19.364 -12.201 -11.978 1198 1HE MET 64 1HE MET 64 -19.850 -14.166 -9.474 1199 2HE MET 64 2HE MET 64 -20.035 -14.312 -11.220 1200 3HE MET 64 3HE MET 64 -21.379 -14.733 -10.161 1201 H LYS 65 HN LYS 65 -19.121 -11.848 -6.707 1202 HA LYS 65 HA LYS 65 -17.107 -10.623 -5.155 1203 1HB LYS 65 2HB LYS 65 -19.004 -11.929 -4.293 1204 2HB LYS 65 1HB LYS 65 -18.336 -13.395 -5.009 1205 1HG LYS 65 2HG LYS 65 -16.331 -13.182 -3.587 1206 2HG LYS 65 1HG LYS 65 -17.000 -11.716 -2.866 1207 1HD LYS 65 2HD LYS 65 -18.922 -12.985 -2.016 1208 2HD LYS 65 1HD LYS 65 -18.302 -14.454 -2.771 1209 1HE LYS 65 2HE LYS 65 -17.538 -14.646 -0.540 1210 2HE LYS 65 1HE LYS 65 -16.136 -13.940 -1.366 1211 1HZ LYS 65 1HZ LYS 65 -17.337 -11.723 -0.864 1212 2HZ LYS 65 2HZ LYS 65 -16.450 -12.478 0.374 1213 3HZ LYS 65 3HZ LYS 65 -18.143 -12.613 0.335 1214 H GLU 66 HN GLU 66 -16.987 -13.697 -6.995 1215 HA GLU 66 HA GLU 66 -14.218 -14.257 -6.339 1216 1HB GLU 66 2HB GLU 66 -15.870 -15.945 -7.065 1217 2HB GLU 66 1HB GLU 66 -16.007 -15.145 -8.631 1218 1HG GLU 66 2HG GLU 66 -13.613 -15.565 -9.058 1219 2HG GLU 66 1HG GLU 66 -13.475 -16.370 -7.495 1220 H THR 67 HN THR 67 -15.829 -12.632 -9.086 1221 HA THR 67 HA THR 67 -13.445 -12.108 -10.626 1222 HB THR 67 HB THR 67 -16.004 -10.506 -10.315 1223 HG1 THR 67 HG1 THR 67 -15.893 -12.897 -11.018 1224 1HG2 THR 67 1HG2 THR 67 -13.669 -10.384 -12.152 1225 2HG2 THR 67 2HG2 THR 67 -14.722 -9.089 -11.582 1226 3HG2 THR 67 3HG2 THR 67 -15.262 -10.162 -12.874 1227 H LEU 68 HN LEU 68 -15.087 -10.406 -7.983 1228 HA LEU 68 HA LEU 68 -13.500 -8.044 -7.891 1229 1HB LEU 68 2HB LEU 68 -15.646 -8.472 -6.730 1230 2HB LEU 68 1HB LEU 68 -14.862 -9.695 -5.733 1231 HG LEU 68 HG LEU 68 -13.203 -7.711 -5.167 1232 1HD1 LEU 68 1HD1 LEU 68 -14.107 -6.050 -6.657 1233 2HD1 LEU 68 2HD1 LEU 68 -14.573 -5.574 -5.024 1234 3HD1 LEU 68 3HD1 LEU 68 -15.748 -6.348 -6.085 1235 1HD2 LEU 68 1HD2 LEU 68 -15.517 -7.090 -3.631 1236 2HD2 LEU 68 2HD2 LEU 68 -14.179 -8.151 -3.186 1237 3HD2 LEU 68 3HD2 LEU 68 -15.592 -8.810 -4.014 1238 H ARG 69 HN ARG 69 -13.125 -11.212 -6.323 1239 HA ARG 69 HA ARG 69 -10.630 -10.623 -4.970 1240 1HB ARG 69 2HB ARG 69 -12.114 -13.127 -5.803 1241 2HB ARG 69 1HB ARG 69 -10.643 -13.172 -4.834 1242 1HG ARG 69 2HG ARG 69 -11.723 -11.750 -3.127 1243 2HG ARG 69 1HG ARG 69 -13.198 -11.716 -4.095 1244 1HD ARG 69 2HD ARG 69 -13.466 -14.132 -3.864 1245 2HD ARG 69 1HD ARG 69 -11.918 -14.247 -3.002 1246 HE ARG 69 HE ARG 69 -13.737 -12.314 -1.797 1247 1HH1 ARG 69 1HH1 ARG 69 -12.821 -15.639 -2.040 1248 2HH1 ARG 69 2HH1 ARG 69 -13.408 -16.047 -0.463 1249 1HH2 ARG 69 1HH2 ARG 69 -14.500 -12.839 0.262 1250 2HH2 ARG 69 2HH2 ARG 69 -14.356 -14.466 0.838 1251 H ILE 70 HN ILE 70 -11.486 -12.144 -8.079 1252 HA ILE 70 HA ILE 70 -8.837 -13.004 -8.745 1253 HB ILE 70 HB ILE 70 -11.424 -13.340 -9.589 1254 1HG1 ILE 70 2HG1 ILE 70 -8.988 -14.052 -11.226 1255 2HG1 ILE 70 1HG1 ILE 70 -9.449 -14.883 -9.740 1256 1HG2 ILE 70 1HG2 ILE 70 -9.973 -11.791 -11.744 1257 2HG2 ILE 70 2HG2 ILE 70 -11.500 -11.363 -10.972 1258 3HG2 ILE 70 3HG2 ILE 70 -11.413 -12.768 -12.032 1259 1HD1 ILE 70 1HD1 ILE 70 -11.710 -14.631 -11.551 1260 2HD1 ILE 70 2HD1 ILE 70 -11.036 -16.079 -10.805 1261 3HD1 ILE 70 3HD1 ILE 70 -10.365 -15.473 -12.319 1262 H THR 71 HN THR 71 -10.741 -10.141 -9.556 1263 HA THR 71 HA THR 71 -8.574 -8.922 -11.122 1264 HB THR 71 HB THR 71 -10.220 -7.090 -11.307 1265 HG1 THR 71 HG1 THR 71 -12.292 -8.122 -10.043 1266 1HG2 THR 71 1HG2 THR 71 -11.795 -8.240 -12.581 1267 2HG2 THR 71 2HG2 THR 71 -11.850 -9.604 -11.464 1268 3HG2 THR 71 3HG2 THR 71 -10.460 -9.391 -12.527 1269 H ASN 72 HN ASN 72 -8.422 -6.391 -10.355 1270 HA ASN 72 HA ASN 72 -7.623 -6.418 -7.479 1271 1HB ASN 72 2HB ASN 72 -5.799 -5.754 -8.783 1272 2HB ASN 72 1HB ASN 72 -6.817 -4.986 -9.989 1273 1HD2 ASN 72 1HD2 ASN 72 -5.760 -2.936 -9.942 1274 2HD2 ASN 72 2HD2 ASN 72 -5.796 -1.922 -8.574 1275 H LEU 73 HN LEU 73 -10.393 -6.189 -8.834 1276 HA LEU 73 HA LEU 73 -11.347 -3.482 -8.335 1277 1HB LEU 73 2HB LEU 73 -12.651 -6.213 -8.559 1278 2HB LEU 73 1HB LEU 73 -13.562 -4.711 -8.434 1279 HG LEU 73 HG LEU 73 -11.507 -5.260 -10.602 1280 1HD1 LEU 73 1HD1 LEU 73 -14.452 -5.166 -11.114 1281 2HD1 LEU 73 2HD1 LEU 73 -13.771 -6.649 -10.446 1282 3HD1 LEU 73 3HD1 LEU 73 -13.189 -6.030 -11.989 1283 1HD2 LEU 73 1HD2 LEU 73 -11.811 -2.899 -10.273 1284 2HD2 LEU 73 2HD2 LEU 73 -13.557 -3.083 -10.104 1285 3HD2 LEU 73 3HD2 LEU 73 -12.791 -3.332 -11.673 1286 H GLY 74 HN GLY 74 -11.252 -6.521 -6.462 1287 1HA GLY 74 2HA GLY 74 -12.866 -5.828 -4.322 1288 2HA GLY 74 1HA GLY 74 -11.484 -6.902 -4.168 1289 H ASP 75 HN ASP 75 -9.690 -4.611 -5.061 1290 HA ASP 75 HA ASP 75 -8.849 -3.846 -2.453 1291 1HB ASP 75 2HB ASP 75 -7.234 -2.513 -3.666 1292 2HB ASP 75 1HB ASP 75 -7.531 -3.975 -4.606 1293 H LEU 76 HN LEU 76 -11.243 -2.452 -4.544 1294 HA LEU 76 HA LEU 76 -11.151 0.275 -3.784 1295 1HB LEU 76 2HB LEU 76 -13.476 -1.519 -4.489 1296 2HB LEU 76 1HB LEU 76 -13.538 0.240 -4.493 1297 HG LEU 76 HG LEU 76 -11.585 -1.394 -6.135 1298 1HD1 LEU 76 1HD1 LEU 76 -13.099 -0.368 -8.014 1299 2HD1 LEU 76 2HD1 LEU 76 -14.305 -0.259 -6.732 1300 3HD1 LEU 76 3HD1 LEU 76 -13.635 -1.828 -7.182 1301 1HD2 LEU 76 1HD2 LEU 76 -11.547 1.281 -5.315 1302 2HD2 LEU 76 2HD2 LEU 76 -12.183 1.337 -6.960 1303 3HD2 LEU 76 3HD2 LEU 76 -10.620 0.585 -6.645 1304 H LYS 77 HN LYS 77 -11.938 1.391 -2.086 1305 HA LYS 77 HA LYS 77 -13.707 0.051 -0.110 1306 1HB LYS 77 2HB LYS 77 -11.068 1.436 0.471 1307 2HB LYS 77 1HB LYS 77 -12.238 0.994 1.717 1308 1HG LYS 77 2HG LYS 77 -12.090 -1.371 1.024 1309 2HG LYS 77 1HG LYS 77 -10.918 -0.935 -0.218 1310 1HD LYS 77 2HD LYS 77 -9.378 -0.102 1.522 1311 2HD LYS 77 1HD LYS 77 -10.549 -0.544 2.766 1312 1HE LYS 77 2HE LYS 77 -10.431 -2.928 1.652 1313 2HE LYS 77 1HE LYS 77 -8.875 -2.342 1.029 1314 1HZ LYS 77 1HZ LYS 77 -9.649 -2.004 3.864 1315 2HZ LYS 77 2HZ LYS 77 -8.101 -1.893 3.174 1316 3HZ LYS 77 3HZ LYS 77 -8.860 -3.405 3.326 1317 H VAL 78 HN VAL 78 -15.176 1.542 0.818 1318 HA VAL 78 HA VAL 78 -15.811 3.806 -0.721 1319 HB VAL 78 HB VAL 78 -16.472 3.413 2.211 1320 1HG1 VAL 78 1HG1 VAL 78 -17.198 5.375 0.378 1321 2HG1 VAL 78 2HG1 VAL 78 -18.071 4.980 1.861 1322 3HG1 VAL 78 3HG1 VAL 78 -18.562 4.246 0.330 1323 1HG2 VAL 78 1HG2 VAL 78 -17.112 1.808 -0.176 1324 2HG2 VAL 78 2HG2 VAL 78 -18.512 2.272 0.791 1325 3HG2 VAL 78 3HG2 VAL 78 -17.191 1.367 1.530 1326 H GLY 79 HN GLY 79 -15.597 6.042 -0.322 1327 1HA GLY 79 2HA GLY 79 -14.665 7.984 0.719 1328 2HA GLY 79 1HA GLY 79 -13.735 6.936 1.792 1329 H ASP 80 HN ASP 80 -13.138 5.348 -0.833 1330 HA ASP 80 HA ASP 80 -10.712 6.921 -1.559 1331 1HB ASP 80 2HB ASP 80 -10.730 4.453 -0.932 1332 2HB ASP 80 1HB ASP 80 -11.594 4.156 -2.439 1333 H TRP 81 HN TRP 81 -10.222 7.077 -3.947 1334 HA TRP 81 HA TRP 81 -12.753 7.395 -5.536 1335 1HB TRP 81 2HB TRP 81 -10.129 8.900 -5.492 1336 2HB TRP 81 1HB TRP 81 -11.278 9.068 -6.814 1337 HD1 TRP 81 HD1 TRP 81 -11.789 8.938 -2.971 1338 HE1 TRP 81 HE1 TRP 81 -13.262 10.936 -2.300 1339 HE3 TRP 81 HE3 TRP 81 -12.372 11.175 -7.527 1340 HZ2 TRP 81 HZ2 TRP 81 -14.519 13.196 -3.524 1341 HZ3 TRP 81 HZ3 TRP 81 -13.712 13.251 -7.747 1342 HH2 TRP 81 HH2 TRP 81 -14.785 14.261 -5.749 1343 H VAL 82 HN VAL 82 -12.350 7.133 -7.940 1344 HA VAL 82 HA VAL 82 -10.260 5.056 -8.527 1345 HB VAL 82 HB VAL 82 -12.305 3.868 -8.272 1346 1HG1 VAL 82 1HG1 VAL 82 -14.257 4.962 -9.862 1347 2HG1 VAL 82 2HG1 VAL 82 -13.436 6.404 -9.268 1348 3HG1 VAL 82 3HG1 VAL 82 -14.120 5.247 -8.126 1349 1HG2 VAL 82 1HG2 VAL 82 -12.496 2.882 -10.334 1350 2HG2 VAL 82 2HG2 VAL 82 -11.086 3.882 -10.680 1351 3HG2 VAL 82 3HG2 VAL 82 -12.694 4.428 -11.161 1352 H ASN 83 HN ASN 83 -9.607 5.015 -10.744 1353 HA ASN 83 HA ASN 83 -9.975 7.513 -12.298 1354 1HB ASN 83 2HB ASN 83 -8.218 5.173 -12.167 1355 2HB ASN 83 1HB ASN 83 -8.663 5.562 -13.815 1356 1HD2 ASN 83 1HD2 ASN 83 -6.135 6.087 -13.688 1357 2HD2 ASN 83 2HD2 ASN 83 -5.749 7.695 -13.305 1358 H VAL 84 HN VAL 84 -12.006 7.615 -13.251 1359 HA VAL 84 HA VAL 84 -13.162 5.051 -14.260 1360 HB VAL 84 HB VAL 84 -15.265 6.723 -14.288 1361 1HG1 VAL 84 1HG1 VAL 84 -14.154 5.510 -11.741 1362 2HG1 VAL 84 2HG1 VAL 84 -14.928 4.582 -13.028 1363 3HG1 VAL 84 3HG1 VAL 84 -15.852 5.791 -12.135 1364 1HG2 VAL 84 1HG2 VAL 84 -13.499 7.809 -12.068 1365 2HG2 VAL 84 2HG2 VAL 84 -15.167 8.274 -12.400 1366 3HG2 VAL 84 3HG2 VAL 84 -13.894 8.676 -13.552 1367 H GLU 85 HN GLU 85 -13.753 4.798 -16.346 1368 HA GLU 85 HA GLU 85 -13.498 7.123 -18.224 1369 1HB GLU 85 2HB GLU 85 -11.392 5.825 -18.141 1370 2HB GLU 85 1HB GLU 85 -12.288 4.347 -18.492 1371 1HG GLU 85 2HG GLU 85 -13.013 5.293 -20.652 1372 2HG GLU 85 1HG GLU 85 -12.116 6.771 -20.307 1373 H ARG 86 HN ARG 86 -15.090 7.088 -19.834 1374 HA ARG 86 HA ARG 86 -17.299 5.233 -19.477 1375 1HB ARG 86 2HB ARG 86 -16.657 7.461 -21.424 1376 2HB ARG 86 1HB ARG 86 -18.198 6.601 -21.428 1377 1HG ARG 86 2HG ARG 86 -18.552 7.239 -19.063 1378 2HG ARG 86 1HG ARG 86 -17.027 8.124 -19.081 1379 1HD ARG 86 2HD ARG 86 -19.410 8.711 -20.877 1380 2HD ARG 86 1HD ARG 86 -18.916 9.671 -19.470 1381 HE ARG 86 HE ARG 86 -16.602 9.490 -20.981 1382 1HH1 ARG 86 1HH1 ARG 86 -19.869 10.467 -21.556 1383 2HH1 ARG 86 2HH1 ARG 86 -19.441 11.634 -22.762 1384 1HH2 ARG 86 1HH2 ARG 86 -16.038 11.011 -22.552 1385 2HH2 ARG 86 2HH2 ARG 86 -17.279 11.942 -23.324 1386 H ALA 87 HN ALA 87 -17.938 3.544 -20.823 1387 HA ALA 87 HA ALA 87 -16.310 2.999 -23.278 1388 1HB ALA 87 1HB ALA 87 -15.736 0.904 -22.532 1389 2HB ALA 87 2HB ALA 87 -17.226 0.716 -21.611 1390 3HB ALA 87 3HB ALA 87 -15.904 1.682 -20.958 1391 H ALA 88 HN ALA 88 -17.493 2.010 -24.946 1392 HA ALA 88 HA ALA 88 -20.430 1.611 -24.478 1393 1HB ALA 88 1HB ALA 88 -19.167 3.004 -26.846 1394 2HB ALA 88 2HB ALA 88 -19.680 3.878 -25.400 1395 3HB ALA 88 3HB ALA 88 -20.869 3.011 -26.375 1396 H LYS 89 HN LYS 89 -21.383 0.040 -25.843 1397 HA LYS 89 HA LYS 89 -19.660 -2.019 -26.927 1398 1HB LYS 89 2HB LYS 89 -21.855 -2.979 -27.612 1399 2HB LYS 89 1HB LYS 89 -21.861 -2.440 -25.933 1400 1HG LYS 89 2HG LYS 89 -22.664 -0.159 -27.180 1401 2HG LYS 89 1HG LYS 89 -23.339 -1.374 -28.263 1402 1HD LYS 89 2HD LYS 89 -24.260 -2.527 -26.176 1403 2HD LYS 89 1HD LYS 89 -23.843 -1.052 -25.302 1404 1HE LYS 89 2HE LYS 89 -25.337 -0.591 -27.814 1405 2HE LYS 89 1HE LYS 89 -26.250 -1.436 -26.548 1406 1HZ LYS 89 1HZ LYS 89 -24.559 0.864 -25.834 1407 2HZ LYS 89 2HZ LYS 89 -25.943 0.264 -25.051 1408 3HZ LYS 89 3HZ LYS 89 -26.096 1.143 -26.497 1409 H PHE 90 HN PHE 90 -21.374 0.748 -28.326 1410 HA PHE 90 HA PHE 90 -19.776 0.334 -30.795 1411 1HB PHE 90 2HB PHE 90 -21.704 0.578 -32.236 1412 2HB PHE 90 1HB PHE 90 -22.059 -0.702 -31.083 1413 HD1 PHE 90 HD1 PHE 90 -24.023 -0.603 -29.805 1414 HD2 PHE 90 HD2 PHE 90 -22.470 2.995 -31.568 1415 HE1 PHE 90 HE1 PHE 90 -26.035 0.635 -29.046 1416 HE2 PHE 90 HE2 PHE 90 -24.483 4.234 -30.812 1417 HZ PHE 90 HZ PHE 90 -26.265 3.055 -29.551 1418 H SER 91 HN SER 91 -19.619 2.341 -32.071 1419 HA SER 91 HA SER 91 -20.645 4.825 -30.833 1420 1HB SER 91 2HB SER 91 -18.531 4.129 -29.634 1421 2HB SER 91 1HB SER 91 -17.676 4.305 -31.163 1422 HG SER 91 HG SER 91 -17.497 6.242 -30.131 1423 H ASP 92 HN ASP 92 -20.556 6.601 -32.289 1424 HA ASP 92 HA ASP 92 -20.436 6.016 -35.122 1425 1HB ASP 92 2HB ASP 92 -20.537 8.541 -33.449 1426 2HB ASP 92 1HB ASP 92 -20.635 8.553 -35.210 1427 H GLU 93 HN GLU 93 -18.201 7.436 -32.774 1428 HA GLU 93 HA GLU 93 -15.948 8.316 -33.107 1429 1HB GLU 93 2HB GLU 93 -14.566 6.454 -34.057 1430 2HB GLU 93 1HB GLU 93 -15.708 5.900 -32.834 1431 1HG GLU 93 2HG GLU 93 -17.221 5.069 -34.518 1432 2HG GLU 93 1HG GLU 93 -16.280 5.818 -35.809 1433 H ILE 94 HN ILE 94 -17.480 9.712 -34.872 1434 HA ILE 94 HA ILE 94 -16.773 9.358 -37.649 1435 HB ILE 94 HB ILE 94 -17.732 11.765 -36.066 1436 1HG1 ILE 94 2HG1 ILE 94 -19.200 9.776 -35.884 1437 2HG1 ILE 94 1HG1 ILE 94 -19.970 11.056 -36.820 1438 1HG2 ILE 94 1HG2 ILE 94 -16.726 12.029 -38.475 1439 2HG2 ILE 94 2HG2 ILE 94 -18.264 12.803 -38.092 1440 3HG2 ILE 94 3HG2 ILE 94 -18.240 11.285 -38.990 1441 1HD1 ILE 94 1HD1 ILE 94 -20.123 9.716 -38.621 1442 2HD1 ILE 94 2HD1 ILE 94 -19.512 8.390 -37.633 1443 3HD1 ILE 94 3HD1 ILE 94 -18.393 9.382 -38.568 1444 H GLY 95 HN GLY 95 -15.452 11.387 -35.030 1445 1HA GLY 95 2HA GLY 95 -13.169 12.066 -34.843 1446 2HA GLY 95 1HA GLY 95 -12.909 11.560 -36.514 1447 H GLY 96 HN GLY 96 -14.928 12.990 -37.814 1448 1HA GLY 96 2HA GLY 96 -14.064 15.807 -37.291 1449 2HA GLY 96 1HA GLY 96 -14.382 15.173 -38.906 1450 H HIS 97 HN HIS 97 -15.854 17.193 -38.796 1451 HA HIS 97 HA HIS 97 -18.545 16.332 -37.788 1452 1HB HIS 97 2HB HIS 97 -17.105 18.989 -37.644 1453 2HB HIS 97 1HB HIS 97 -18.850 18.859 -37.419 1454 HD1 HIS 97 HD1 HIS 97 -19.609 17.131 -35.454 1455 HD2 HIS 97 HD2 HIS 97 -15.640 18.401 -35.360 1456 HE1 HIS 97 HE1 HIS 97 -18.746 16.614 -33.129 1457 HN3 RBF 98 HN3 RBF 98 4.072 6.590 -13.397 1458 HC6 RBF 98 HC6 RBF 98 3.371 5.075 -20.141 1459 1HC7 RBF 98 1HC7 RBF 98 2.536 4.546 -22.335 1460 2HC7 RBF 98 2HC7 RBF 98 2.712 6.151 -23.076 1461 3HC7 RBF 98 3HC7 RBF 98 1.115 5.374 -23.006 1462 1HC8 RBF 98 1HC8 RBF 98 -0.523 8.454 -22.029 1463 2HC8 RBF 98 2HC8 RBF 98 -0.815 6.735 -22.372 1464 3HC8 RBF 98 3HC8 RBF 98 0.587 7.559 -23.088 1465 HC9 RBF 98 HC9 RBF 98 -0.243 8.445 -19.674 1466 1HC1 RBF 98 1HC1 RBF 98 0.087 9.338 -16.194 1467 2HC1 RBF 98 2HC1 RBF 98 -0.910 8.508 -17.405 1468 HC2* RBF 98 HC2* RBF 98 -0.542 10.130 -18.928 1469 HO2* RBF 98 HO2* RBF 98 1.755 10.827 -19.288 1470 HC3* RBF 98 HC3* RBF 98 0.548 12.265 -18.063 1471 HO3* RBF 98 HO3* RBF 98 1.828 12.016 -16.382 1472 HC4* RBF 98 HC4* RBF 98 -1.491 10.952 -16.218 1473 HO4* RBF 98 HO4* RBF 98 -2.328 10.819 -18.271 1474 1HC5 RBF 98 1HC5 RBF 98 -2.268 13.314 -15.944 1475 2HC5 RBF 98 2HC5 RBF 98 -0.619 13.062 -15.336 1476 HO5* RBF 98 HO5* RBF 98 -0.989 13.867 -18.033 1477 HN3 RBF 99 HN3 RBF 99 -18.509 -6.450 -12.440 1478 HC6 RBF 99 HC6 RBF 99 -18.039 -5.545 -19.312 1479 1HC7 RBF 99 1HC7 RBF 99 -17.281 -5.208 -21.570 1480 2HC7 RBF 99 2HC7 RBF 99 -17.455 -6.875 -22.156 1481 3HC7 RBF 99 3HC7 RBF 99 -15.869 -6.076 -22.209 1482 1HC8 RBF 99 1HC8 RBF 99 -14.152 -9.034 -21.010 1483 2HC8 RBF 99 2HC8 RBF 99 -13.898 -7.350 -21.517 1484 3HC8 RBF 99 3HC8 RBF 99 -15.309 -8.252 -22.109 1485 HC9 RBF 99 HC9 RBF 99 -14.361 -8.813 -18.657 1486 1HC1 RBF 99 1HC1 RBF 99 -14.569 -9.388 -15.102 1487 2HC1 RBF 99 2HC1 RBF 99 -13.624 -8.660 -16.415 1488 HC2* RBF 99 HC2* RBF 99 -14.019 -10.421 -17.769 1489 HO2* RBF 99 HO2* RBF 99 -16.310 -11.175 -17.993 1490 HC3* RBF 99 HC3* RBF 99 -15.043 -12.479 -16.681 1491 HO3* RBF 99 HO3* RBF 99 -16.275 -12.094 -14.989 1492 HC4* RBF 99 HC4* RBF 99 -12.968 -10.978 -15.031 1493 HO4* RBF 99 HO4* RBF 99 -12.198 -11.023 -17.113 1494 1HC5 RBF 99 1HC5 RBF 99 -12.147 -13.295 -14.568 1495 2HC5 RBF 99 2HC5 RBF 99 -13.781 -13.011 -13.933 1496 HO5* RBF 99 HO5* RBF 99 -13.482 -14.052 -16.556 Start of MODEL 17 1 1H MET 1 1HT MET 1 -15.690 -0.527 -29.045 2 2H MET 1 2HT MET 1 -14.794 -1.095 -30.372 3 3H MET 1 3HT MET 1 -14.068 -0.069 -29.229 4 HA MET 1 HA MET 1 -15.187 -2.577 -28.220 5 1HB MET 1 2HB MET 1 -13.217 -3.801 -29.050 6 2HB MET 1 1HB MET 1 -14.124 -3.122 -30.403 7 1HG MET 1 2HG MET 1 -12.566 -1.133 -30.334 8 2HG MET 1 1HG MET 1 -11.591 -2.019 -29.161 9 1HE MET 1 1HE MET 1 -10.853 -4.140 -29.317 10 2HE MET 1 2HE MET 1 -9.906 -4.708 -30.689 11 3HE MET 1 3HE MET 1 -11.571 -5.250 -30.493 12 H PHE 2 HN PHE 2 -14.002 -3.156 -26.288 13 HA PHE 2 HA PHE 2 -11.556 -1.977 -25.471 14 1HB PHE 2 2HB PHE 2 -12.348 -0.283 -23.933 15 2HB PHE 2 1HB PHE 2 -13.062 0.060 -25.503 16 HD1 PHE 2 HD1 PHE 2 -15.419 0.302 -25.689 17 HD2 PHE 2 HD2 PHE 2 -13.744 -1.744 -22.289 18 HE1 PHE 2 HE1 PHE 2 -17.663 0.106 -24.684 19 HE2 PHE 2 HE2 PHE 2 -16.007 -1.922 -21.290 20 HZ PHE 2 HZ PHE 2 -17.964 -1.006 -22.498 21 H THR 3 HN THR 3 -10.884 -3.029 -23.559 22 HA THR 3 HA THR 3 -12.964 -4.596 -22.095 23 HB THR 3 HB THR 3 -11.367 -6.505 -22.174 24 HG1 THR 3 HG1 THR 3 -9.895 -4.906 -23.982 25 1HG2 THR 3 1HG2 THR 3 -12.337 -5.236 -24.727 26 2HG2 THR 3 2HG2 THR 3 -12.914 -6.690 -23.909 27 3HG2 THR 3 3HG2 THR 3 -11.385 -6.721 -24.784 28 H GLY 4 HN GLY 4 -9.644 -3.338 -22.210 29 1HA GLY 4 2HA GLY 4 -8.160 -2.772 -20.487 30 2HA GLY 4 1HA GLY 4 -9.597 -2.177 -19.650 31 H ILE 5 HN ILE 5 -9.519 -5.515 -20.608 32 HA ILE 5 HA ILE 5 -9.769 -6.288 -17.778 33 HB ILE 5 HB ILE 5 -9.712 -7.927 -20.335 34 1HG1 ILE 5 2HG1 ILE 5 -12.038 -6.749 -18.779 35 2HG1 ILE 5 1HG1 ILE 5 -11.467 -6.188 -20.349 36 1HG2 ILE 5 1HG2 ILE 5 -11.174 -9.433 -18.826 37 2HG2 ILE 5 2HG2 ILE 5 -10.511 -8.502 -17.484 38 3HG2 ILE 5 3HG2 ILE 5 -9.437 -9.431 -18.528 39 1HD1 ILE 5 1HD1 ILE 5 -12.752 -8.835 -19.677 40 2HD1 ILE 5 2HD1 ILE 5 -11.844 -8.591 -21.168 41 3HD1 ILE 5 3HD1 ILE 5 -13.287 -7.629 -20.849 42 H VAL 6 HN VAL 6 -8.017 -6.750 -16.544 43 HA VAL 6 HA VAL 6 -5.358 -6.931 -17.633 44 HB VAL 6 HB VAL 6 -6.725 -7.091 -14.976 45 1HG1 VAL 6 1HG1 VAL 6 -4.435 -7.450 -13.921 46 2HG1 VAL 6 2HG1 VAL 6 -3.885 -7.994 -15.505 47 3HG1 VAL 6 3HG1 VAL 6 -5.154 -8.880 -14.661 48 1HG2 VAL 6 1HG2 VAL 6 -4.383 -5.515 -14.963 49 2HG2 VAL 6 2HG2 VAL 6 -6.051 -4.945 -15.051 50 3HG2 VAL 6 3HG2 VAL 6 -5.141 -5.247 -16.532 51 H GLN 7 HN GLN 7 -3.944 -8.736 -17.682 52 HA GLN 7 HA GLN 7 -5.288 -11.363 -17.977 53 1HB GLN 7 2HB GLN 7 -3.273 -11.947 -19.156 54 2HB GLN 7 1HB GLN 7 -3.685 -10.304 -19.648 55 1HG GLN 7 2HG GLN 7 -2.070 -9.372 -18.094 56 2HG GLN 7 1HG GLN 7 -1.738 -10.969 -17.422 57 1HE2 GLN 7 1HE2 GLN 7 -0.137 -12.216 -18.453 58 2HE2 GLN 7 2HE2 GLN 7 0.596 -11.797 -19.925 59 H GLY 8 HN GLY 8 -3.107 -9.675 -15.771 60 1HA GLY 8 2HA GLY 8 -3.057 -12.097 -14.048 61 2HA GLY 8 1HA GLY 8 -1.506 -11.465 -14.601 62 H THR 9 HN THR 9 -1.783 -11.474 -11.929 63 HA THR 9 HA THR 9 -2.553 -8.657 -11.239 64 HB THR 9 HB THR 9 -2.902 -9.840 -8.922 65 HG1 THR 9 HG1 THR 9 -2.393 -11.866 -9.087 66 1HG2 THR 9 1HG2 THR 9 -5.199 -10.192 -9.466 67 2HG2 THR 9 2HG2 THR 9 -4.818 -10.538 -11.153 68 3HG2 THR 9 3HG2 THR 9 -4.646 -8.896 -10.528 69 H ALA 10 HN ALA 10 -1.414 -7.929 -9.178 70 HA ALA 10 HA ALA 10 1.361 -9.024 -8.908 71 1HB ALA 10 1HB ALA 10 0.462 -6.539 -10.135 72 2HB ALA 10 2HB ALA 10 2.089 -7.223 -10.075 73 3HB ALA 10 3HB ALA 10 1.508 -6.215 -8.751 74 H LYS 11 HN LYS 11 2.234 -8.656 -6.808 75 HA LYS 11 HA LYS 11 0.206 -7.766 -4.790 76 1HB LYS 11 2HB LYS 11 1.046 -10.059 -4.606 77 2HB LYS 11 1HB LYS 11 2.704 -9.465 -4.596 78 1HG LYS 11 2HG LYS 11 2.314 -8.263 -2.514 79 2HG LYS 11 1HG LYS 11 0.613 -8.728 -2.534 80 1HD LYS 11 2HD LYS 11 1.046 -10.833 -1.792 81 2HD LYS 11 1HD LYS 11 2.523 -10.974 -2.748 82 1HE LYS 11 2HE LYS 11 3.785 -9.682 -1.136 83 2HE LYS 11 1HE LYS 11 2.308 -9.268 -0.242 84 1HZ LYS 11 1HZ LYS 11 3.510 -11.189 0.720 85 2HZ LYS 11 2HZ LYS 11 3.252 -12.045 -0.725 86 3HZ LYS 11 3HZ LYS 11 1.931 -11.572 0.234 87 H LEU 12 HN LEU 12 0.563 -5.669 -4.145 88 HA LEU 12 HA LEU 12 3.023 -4.212 -4.362 89 1HB LEU 12 2HB LEU 12 0.537 -3.498 -3.858 90 2HB LEU 12 1HB LEU 12 0.970 -3.829 -2.192 91 HG LEU 12 HG LEU 12 2.748 -2.199 -2.250 92 1HD1 LEU 12 1HD1 LEU 12 2.171 -2.248 -5.205 93 2HD1 LEU 12 2HD1 LEU 12 3.723 -2.384 -4.378 94 3HD1 LEU 12 3HD1 LEU 12 2.908 -0.822 -4.471 95 1HD2 LEU 12 1HD2 LEU 12 1.211 -0.587 -1.897 96 2HD2 LEU 12 2HD2 LEU 12 0.006 -1.573 -2.728 97 3HD2 LEU 12 3HD2 LEU 12 0.976 -0.412 -3.636 98 H VAL 13 HN VAL 13 4.832 -4.479 -3.175 99 HA VAL 13 HA VAL 13 4.606 -5.883 -0.540 100 HB VAL 13 HB VAL 13 5.417 -7.472 -2.081 101 1HG1 VAL 13 1HG1 VAL 13 6.109 -6.741 -4.087 102 2HG1 VAL 13 2HG1 VAL 13 7.677 -6.444 -3.332 103 3HG1 VAL 13 3HG1 VAL 13 6.495 -5.144 -3.442 104 1HG2 VAL 13 1HG2 VAL 13 8.018 -6.295 -1.146 105 2HG2 VAL 13 2HG2 VAL 13 7.543 -7.993 -1.224 106 3HG2 VAL 13 3HG2 VAL 13 6.863 -6.943 0.019 107 H SER 14 HN SER 14 6.241 -3.513 -2.546 108 HA SER 14 HA SER 14 7.353 -2.281 -0.047 109 1HB SER 14 2HB SER 14 8.845 -3.933 -1.548 110 2HB SER 14 1HB SER 14 9.101 -2.446 -2.452 111 HG SER 14 HG SER 14 9.426 -2.713 0.358 112 H ILE 15 HN ILE 15 7.372 -0.028 -0.140 113 HA ILE 15 HA ILE 15 6.653 1.229 -2.771 114 HB ILE 15 HB ILE 15 6.465 2.440 -0.001 115 1HG1 ILE 15 2HG1 ILE 15 4.410 0.912 -1.617 116 2HG1 ILE 15 1HG1 ILE 15 5.077 0.464 -0.050 117 1HG2 ILE 15 1HG2 ILE 15 4.667 3.775 -1.365 118 2HG2 ILE 15 2HG2 ILE 15 5.531 3.161 -2.773 119 3HG2 ILE 15 3HG2 ILE 15 6.374 4.165 -1.594 120 1HD1 ILE 15 1HD1 ILE 15 4.086 3.090 0.259 121 2HD1 ILE 15 2HD1 ILE 15 3.404 1.612 0.933 122 3HD1 ILE 15 3HD1 ILE 15 2.845 2.206 -0.629 123 H ASP 16 HN ASP 16 8.194 2.473 -3.697 124 HA ASP 16 HA ASP 16 10.567 3.278 -2.068 125 1HB ASP 16 2HB ASP 16 10.085 2.608 -4.959 126 2HB ASP 16 1HB ASP 16 11.491 3.567 -4.493 127 H GLU 17 HN GLU 17 10.350 5.396 -1.428 128 HA GLU 17 HA GLU 17 8.779 7.233 -3.182 129 1HB GLU 17 2HB GLU 17 8.044 6.853 -0.859 130 2HB GLU 17 1HB GLU 17 9.624 7.369 -0.269 131 1HG GLU 17 2HG GLU 17 9.274 9.597 -1.271 132 2HG GLU 17 1HG GLU 17 7.691 9.082 -1.857 133 H LYS 18 HN LYS 18 10.104 8.410 -4.530 134 HA LYS 18 HA LYS 18 12.688 9.458 -3.425 135 1HB LYS 18 2HB LYS 18 11.851 9.528 -6.322 136 2HB LYS 18 1HB LYS 18 13.476 9.464 -5.647 137 1HG LYS 18 2HG LYS 18 12.238 7.128 -4.719 138 2HG LYS 18 1HG LYS 18 11.713 7.278 -6.398 139 1HD LYS 18 2HD LYS 18 14.588 7.817 -5.848 140 2HD LYS 18 1HD LYS 18 14.059 6.141 -5.713 141 1HE LYS 18 2HE LYS 18 12.886 6.600 -8.023 142 2HE LYS 18 1HE LYS 18 14.059 7.928 -8.132 143 1HZ LYS 18 1HZ LYS 18 14.519 5.050 -8.083 144 2HZ LYS 18 2HZ LYS 18 15.618 6.002 -7.204 145 3HZ LYS 18 3HZ LYS 18 15.396 6.273 -8.867 146 HA PRO 19 HA PRO 19 10.582 13.336 -3.007 147 1HB PRO 19 2HB PRO 19 12.934 14.863 -3.367 148 2HB PRO 19 1HB PRO 19 12.273 14.303 -1.820 149 1HG PRO 19 2HG PRO 19 14.459 13.165 -3.464 150 2HG PRO 19 1HG PRO 19 14.246 13.169 -1.706 151 1HD PRO 19 2HD PRO 19 13.849 10.957 -3.182 152 2HD PRO 19 1HD PRO 19 12.875 11.308 -1.734 153 H ASN 20 HN ASN 20 12.657 12.430 -5.670 154 HA ASN 20 HA ASN 20 11.775 14.620 -7.433 155 1HB ASN 20 2HB ASN 20 13.123 11.998 -8.130 156 2HB ASN 20 1HB ASN 20 13.204 13.521 -9.018 157 1HD2 ASN 20 1HD2 ASN 20 14.463 11.769 -6.236 158 2HD2 ASN 20 2HD2 ASN 20 15.646 12.909 -5.817 159 H PHE 21 HN PHE 21 11.076 11.168 -6.943 160 HA PHE 21 HA PHE 21 8.445 11.477 -8.249 161 1HB PHE 21 2HB PHE 21 10.638 9.662 -9.311 162 2HB PHE 21 1HB PHE 21 8.982 9.715 -9.916 163 HD1 PHE 21 HD1 PHE 21 12.242 11.348 -9.905 164 HD2 PHE 21 HD2 PHE 21 8.112 11.788 -11.010 165 HE1 PHE 21 HE1 PHE 21 12.841 13.248 -11.387 166 HE2 PHE 21 HE2 PHE 21 8.710 13.686 -12.492 167 HZ PHE 21 HZ PHE 21 11.075 14.416 -12.681 168 H ARG 22 HN ARG 22 7.026 9.717 -7.672 169 HA ARG 22 HA ARG 22 7.994 8.110 -5.380 170 1HB ARG 22 2HB ARG 22 5.870 9.392 -5.286 171 2HB ARG 22 1HB ARG 22 5.246 8.415 -6.613 172 1HG ARG 22 2HG ARG 22 5.425 6.391 -5.277 173 2HG ARG 22 1HG ARG 22 6.190 7.288 -3.965 174 1HD ARG 22 2HD ARG 22 4.143 8.638 -3.677 175 2HD ARG 22 1HD ARG 22 3.363 7.739 -4.994 176 HE ARG 22 HE ARG 22 4.202 5.709 -3.381 177 1HH1 ARG 22 1HH1 ARG 22 2.529 8.675 -2.767 178 2HH1 ARG 22 2HH1 ARG 22 1.697 8.062 -1.379 179 1HH2 ARG 22 1HH2 ARG 22 3.115 4.908 -1.576 180 2HH2 ARG 22 2HH2 ARG 22 2.024 5.935 -0.707 181 H THR 23 HN THR 23 8.027 5.877 -5.394 182 HA THR 23 HA THR 23 7.638 4.510 -8.028 183 HB THR 23 HB THR 23 9.815 4.148 -5.940 184 HG1 THR 23 HG1 THR 23 11.063 5.335 -7.265 185 1HG2 THR 23 1HG2 THR 23 8.929 2.543 -8.176 186 2HG2 THR 23 2HG2 THR 23 10.196 2.199 -6.997 187 3HG2 THR 23 3HG2 THR 23 10.574 3.117 -8.455 188 H HIS 24 HN HIS 24 6.613 2.480 -7.870 189 HA HIS 24 HA HIS 24 6.175 1.430 -5.100 190 1HB HIS 24 2HB HIS 24 4.315 2.334 -7.149 191 2HB HIS 24 1HB HIS 24 3.967 0.687 -6.614 192 HD1 HIS 24 HD1 HIS 24 2.878 3.877 -5.780 193 HD2 HIS 24 HD2 HIS 24 4.531 0.829 -3.467 194 HE1 HIS 24 HE1 HIS 24 2.249 4.374 -3.374 195 H VAL 25 HN VAL 25 6.813 -0.657 -4.881 196 HA VAL 25 HA VAL 25 7.415 -2.217 -7.342 197 HB VAL 25 HB VAL 25 8.241 -2.786 -4.504 198 1HG1 VAL 25 1HG1 VAL 25 8.559 -4.490 -6.353 199 2HG1 VAL 25 2HG1 VAL 25 10.038 -4.009 -5.523 200 3HG1 VAL 25 3HG1 VAL 25 9.664 -3.345 -7.113 201 1HG2 VAL 25 1HG2 VAL 25 9.095 -0.626 -4.688 202 2HG2 VAL 25 2HG2 VAL 25 9.271 -0.739 -6.439 203 3HG2 VAL 25 3HG2 VAL 25 10.417 -1.565 -5.383 204 H VAL 26 HN VAL 26 6.271 -3.982 -7.811 205 HA VAL 26 HA VAL 26 4.374 -5.077 -5.762 206 HB VAL 26 HB VAL 26 3.033 -5.689 -7.768 207 1HG1 VAL 26 1HG1 VAL 26 3.465 -2.932 -8.527 208 2HG1 VAL 26 2HG1 VAL 26 3.537 -3.093 -6.771 209 3HG1 VAL 26 3HG1 VAL 26 2.106 -3.636 -7.648 210 1HG2 VAL 26 1HG2 VAL 26 5.559 -5.179 -9.059 211 2HG2 VAL 26 2HG2 VAL 26 4.329 -4.125 -9.756 212 3HG2 VAL 26 3HG2 VAL 26 4.092 -5.872 -9.751 213 H GLU 27 HN GLU 27 3.930 -7.488 -6.158 214 HA GLU 27 HA GLU 27 6.464 -8.912 -6.777 215 1HB GLU 27 2HB GLU 27 4.800 -8.967 -4.645 216 2HB GLU 27 1HB GLU 27 4.057 -10.208 -5.645 217 1HG GLU 27 2HG GLU 27 6.994 -10.393 -5.464 218 2HG GLU 27 1HG GLU 27 6.149 -10.661 -3.940 219 H LEU 28 HN LEU 28 6.514 -9.643 -8.849 220 HA LEU 28 HA LEU 28 4.120 -9.931 -10.463 221 1HB LEU 28 2HB LEU 28 6.647 -9.258 -10.938 222 2HB LEU 28 1HB LEU 28 6.829 -10.989 -11.193 223 HG LEU 28 HG LEU 28 5.172 -10.981 -12.947 224 1HD1 LEU 28 1HD1 LEU 28 4.424 -8.444 -11.667 225 2HD1 LEU 28 2HD1 LEU 28 3.442 -9.543 -12.637 226 3HD1 LEU 28 3HD1 LEU 28 4.471 -8.348 -13.427 227 1HD2 LEU 28 1HD2 LEU 28 6.313 -8.579 -13.989 228 2HD2 LEU 28 2HD2 LEU 28 6.783 -10.241 -14.340 229 3HD2 LEU 28 3HD2 LEU 28 7.541 -9.375 -13.007 230 HA PRO 29 HA PRO 29 3.406 -14.140 -9.161 231 1HB PRO 29 2HB PRO 29 1.435 -14.662 -11.000 232 2HB PRO 29 1HB PRO 29 1.161 -13.814 -9.469 233 1HG PRO 29 2HG PRO 29 1.448 -12.719 -12.212 234 2HG PRO 29 1HG PRO 29 0.425 -12.173 -10.876 235 1HD PRO 29 2HD PRO 29 2.737 -10.933 -11.601 236 2HD PRO 29 1HD PRO 29 2.089 -10.907 -9.947 237 H ASP 30 HN ASP 30 3.051 -16.294 -10.550 238 HA ASP 30 HA ASP 30 5.494 -16.747 -11.932 239 1HB ASP 30 2HB ASP 30 4.459 -18.954 -12.387 240 2HB ASP 30 1HB ASP 30 4.169 -18.440 -10.724 241 H HIS 31 HN HIS 31 2.193 -16.202 -13.198 242 HA HIS 31 HA HIS 31 3.138 -16.660 -15.941 243 1HB HIS 31 2HB HIS 31 0.768 -16.472 -16.479 244 2HB HIS 31 1HB HIS 31 0.958 -17.474 -15.045 245 HD1 HIS 31 HD1 HIS 31 1.567 -14.472 -13.513 246 HD2 HIS 31 HD2 HIS 31 -1.887 -15.978 -15.289 247 HE1 HIS 31 HE1 HIS 31 -0.377 -13.193 -12.506 248 H MET 32 HN MET 32 3.347 -14.034 -13.953 249 HA MET 32 HA MET 32 3.175 -12.159 -16.291 250 1HB MET 32 2HB MET 32 2.932 -11.720 -13.301 251 2HB MET 32 1HB MET 32 3.082 -10.399 -14.461 252 1HG MET 32 2HG MET 32 0.907 -12.512 -14.473 253 2HG MET 32 1HG MET 32 0.711 -10.845 -13.936 254 1HE MET 32 1HE MET 32 2.049 -9.108 -15.337 255 2HE MET 32 2HE MET 32 0.409 -8.697 -15.831 256 3HE MET 32 3HE MET 32 1.680 -8.829 -17.044 257 H LEU 33 HN LEU 33 5.207 -13.784 -14.065 258 HA LEU 33 HA LEU 33 7.470 -11.963 -14.049 259 1HB LEU 33 2HB LEU 33 6.948 -14.873 -13.465 260 2HB LEU 33 1HB LEU 33 8.600 -14.256 -13.470 261 HG LEU 33 HG LEU 33 6.444 -12.859 -11.882 262 1HD1 LEU 33 1HD1 LEU 33 6.355 -14.531 -10.377 263 2HD1 LEU 33 2HD1 LEU 33 8.113 -14.520 -10.234 264 3HD1 LEU 33 3HD1 LEU 33 7.334 -15.527 -11.454 265 1HD2 LEU 33 1HD2 LEU 33 8.677 -11.791 -12.341 266 2HD2 LEU 33 2HD2 LEU 33 9.438 -13.133 -11.487 267 3HD2 LEU 33 3HD2 LEU 33 8.351 -12.043 -10.626 268 H ASP 34 HN ASP 34 6.173 -14.213 -16.350 269 HA ASP 34 HA ASP 34 8.490 -15.169 -17.606 270 1HB ASP 34 2HB ASP 34 6.162 -15.955 -17.930 271 2HB ASP 34 1HB ASP 34 5.797 -14.478 -18.823 272 H GLY 35 HN GLY 35 10.065 -14.134 -18.691 273 1HA GLY 35 2HA GLY 35 11.174 -12.526 -20.014 274 2HA GLY 35 1HA GLY 35 9.741 -12.740 -21.014 275 H LEU 36 HN LEU 36 10.378 -11.061 -17.894 276 HA LEU 36 HA LEU 36 9.124 -8.633 -19.128 277 1HB LEU 36 2HB LEU 36 8.062 -9.838 -17.110 278 2HB LEU 36 1HB LEU 36 9.426 -9.216 -16.180 279 HG LEU 36 HG LEU 36 7.900 -7.314 -17.920 280 1HD1 LEU 36 1HD1 LEU 36 5.979 -7.530 -16.774 281 2HD1 LEU 36 2HD1 LEU 36 6.843 -7.228 -15.266 282 3HD1 LEU 36 3HD1 LEU 36 6.671 -8.877 -15.870 283 1HD2 LEU 36 1HD2 LEU 36 9.319 -5.919 -16.865 284 2HD2 LEU 36 2HD2 LEU 36 9.919 -7.240 -15.862 285 3HD2 LEU 36 3HD2 LEU 36 8.516 -6.305 -15.344 286 H GLU 37 HN GLU 37 10.181 -6.592 -18.617 287 HA GLU 37 HA GLU 37 12.888 -6.729 -17.398 288 1HB GLU 37 2HB GLU 37 13.931 -5.901 -19.422 289 2HB GLU 37 1HB GLU 37 12.970 -7.313 -19.862 290 1HG GLU 37 2HG GLU 37 11.123 -5.839 -20.575 291 2HG GLU 37 1HG GLU 37 12.083 -4.426 -20.139 292 H THR 38 HN THR 38 13.823 -4.453 -17.255 293 HA THR 38 HA THR 38 11.885 -2.574 -16.223 294 HB THR 38 HB THR 38 14.210 -1.190 -16.704 295 HG1 THR 38 HG1 THR 38 15.121 -3.037 -17.671 296 1HG2 THR 38 1HG2 THR 38 14.378 -2.987 -14.391 297 2HG2 THR 38 2HG2 THR 38 12.840 -2.136 -14.532 298 3HG2 THR 38 3HG2 THR 38 14.348 -1.225 -14.448 299 H GLY 39 HN GLY 39 11.355 -0.473 -17.191 300 1HA GLY 39 2HA GLY 39 11.088 1.075 -18.967 301 2HA GLY 39 1HA GLY 39 12.089 0.041 -19.983 302 H ALA 40 HN ALA 40 10.063 -2.133 -18.769 303 HA ALA 40 HA ALA 40 8.360 -2.229 -21.141 304 1HB ALA 40 1HB ALA 40 7.344 -4.105 -19.577 305 2HB ALA 40 2HB ALA 40 8.772 -3.772 -18.595 306 3HB ALA 40 3HB ALA 40 8.955 -4.316 -20.263 307 H SER 41 HN SER 41 5.926 -2.162 -20.999 308 HA SER 41 HA SER 41 5.081 -0.154 -18.948 309 1HB SER 41 2HB SER 41 3.092 -0.225 -20.778 310 2HB SER 41 1HB SER 41 4.540 0.747 -20.989 311 HG SER 41 HG SER 41 5.292 -0.650 -22.423 312 H VAL 42 HN VAL 42 3.937 -0.969 -17.273 313 HA VAL 42 HA VAL 42 2.184 -3.356 -17.752 314 HB VAL 42 HB VAL 42 3.905 -2.426 -15.508 315 1HG1 VAL 42 1HG1 VAL 42 1.091 -3.249 -15.108 316 2HG1 VAL 42 2HG1 VAL 42 2.149 -2.295 -14.070 317 3HG1 VAL 42 3HG1 VAL 42 2.288 -4.053 -14.092 318 1HG2 VAL 42 1HG2 VAL 42 3.380 -4.796 -17.055 319 2HG2 VAL 42 2HG2 VAL 42 3.222 -5.146 -15.334 320 3HG2 VAL 42 3HG2 VAL 42 4.726 -4.467 -15.961 321 H ALA 43 HN ALA 43 0.009 -2.975 -17.584 322 HA ALA 43 HA ALA 43 -0.916 -0.303 -16.657 323 1HB ALA 43 1HB ALA 43 -1.641 -1.638 -18.806 324 2HB ALA 43 2HB ALA 43 -2.869 -0.796 -17.859 325 3HB ALA 43 3HB ALA 43 -2.654 -2.537 -17.676 326 H HIS 44 HN HIS 44 -1.427 -0.162 -14.517 327 HA HIS 44 HA HIS 44 -2.003 -2.610 -12.953 328 1HB HIS 44 2HB HIS 44 -1.281 0.252 -12.460 329 2HB HIS 44 1HB HIS 44 -2.153 -0.597 -11.185 330 HD1 HIS 44 HD1 HIS 44 0.388 -2.268 -13.471 331 HD2 HIS 44 HD2 HIS 44 0.049 -1.028 -9.493 332 HE1 HIS 44 HE1 HIS 44 2.398 -3.204 -12.246 333 HE2 HIS 44 HE2 HIS 44 2.201 -2.454 -9.835 334 H ASN 45 HN ASN 45 -4.035 -3.273 -13.255 335 HA ASN 45 HA ASN 45 -6.341 -3.288 -13.595 336 1HB ASN 45 2HB ASN 45 -5.896 -1.847 -11.344 337 2HB ASN 45 1HB ASN 45 -6.688 -0.623 -12.339 338 1HD2 ASN 45 1HD2 ASN 45 -7.193 -3.595 -10.553 339 2HD2 ASN 45 2HD2 ASN 45 -8.842 -3.760 -10.906 340 H GLY 46 HN GLY 46 -4.306 -1.608 -15.286 341 1HA GLY 46 2HA GLY 46 -5.050 -1.208 -17.582 342 2HA GLY 46 1HA GLY 46 -6.478 -0.417 -16.931 343 H CYS 47 HN CYS 47 -4.083 0.727 -14.981 344 HA CYS 47 HA CYS 47 -3.729 3.161 -16.653 345 1HB CYS 47 2HB CYS 47 -4.355 3.158 -14.167 346 2HB CYS 47 1HB CYS 47 -2.719 2.582 -13.850 347 HG CYS 47 HG CYS 47 -3.401 5.381 -15.049 348 H CYS 48 HN CYS 48 -2.066 2.909 -18.126 349 HA CYS 48 HA CYS 48 0.017 0.952 -17.720 350 1HB CYS 48 2HB CYS 48 0.798 1.818 -19.909 351 2HB CYS 48 1HB CYS 48 -0.950 1.550 -19.908 352 HG CYS 48 HG CYS 48 -0.629 4.359 -19.109 353 H LEU 49 HN LEU 49 1.883 1.232 -16.645 354 HA LEU 49 HA LEU 49 3.232 3.874 -16.766 355 1HB LEU 49 2HB LEU 49 3.910 3.332 -14.300 356 2HB LEU 49 1HB LEU 49 2.305 3.991 -14.602 357 HG LEU 49 HG LEU 49 2.558 1.030 -14.710 358 1HD1 LEU 49 1HD1 LEU 49 3.602 2.530 -12.519 359 2HD1 LEU 49 2HD1 LEU 49 3.387 0.781 -12.632 360 3HD1 LEU 49 3HD1 LEU 49 2.090 1.788 -11.989 361 1HD2 LEU 49 1HD2 LEU 49 0.541 2.556 -13.107 362 2HD2 LEU 49 2HD2 LEU 49 0.317 1.118 -14.103 363 3HD2 LEU 49 3HD2 LEU 49 0.470 2.703 -14.862 364 H THR 50 HN THR 50 5.625 3.560 -16.220 365 HA THR 50 HA THR 50 6.431 1.070 -17.613 366 HB THR 50 HB THR 50 7.800 3.726 -17.079 367 HG1 THR 50 HG1 THR 50 7.439 3.873 -19.387 368 1HG2 THR 50 1HG2 THR 50 9.361 2.858 -18.921 369 2HG2 THR 50 2HG2 THR 50 8.692 1.262 -18.586 370 3HG2 THR 50 3HG2 THR 50 9.557 2.138 -17.324 371 H VAL 51 HN VAL 51 8.258 -0.152 -16.939 372 HA VAL 51 HA VAL 51 8.474 -0.568 -14.078 373 HB VAL 51 HB VAL 51 10.233 -1.635 -16.305 374 1HG1 VAL 51 1HG1 VAL 51 9.565 -3.659 -14.532 375 2HG1 VAL 51 2HG1 VAL 51 9.769 -2.253 -13.488 376 3HG1 VAL 51 3HG1 VAL 51 11.083 -2.763 -14.547 377 1HG2 VAL 51 1HG2 VAL 51 7.362 -1.869 -15.960 378 2HG2 VAL 51 2HG2 VAL 51 8.141 -3.446 -15.822 379 3HG2 VAL 51 3HG2 VAL 51 8.378 -2.468 -17.270 380 H THR 52 HN THR 52 9.658 0.851 -12.849 381 HA THR 52 HA THR 52 11.898 2.408 -13.895 382 HB THR 52 HB THR 52 11.939 3.284 -11.659 383 HG1 THR 52 HG1 THR 52 11.991 1.485 -10.423 384 1HG2 THR 52 1HG2 THR 52 9.857 3.697 -13.053 385 2HG2 THR 52 2HG2 THR 52 9.655 3.909 -11.312 386 3HG2 THR 52 3HG2 THR 52 9.072 2.442 -12.097 387 H GLU 53 HN GLU 53 11.480 -0.400 -11.736 388 HA GLU 53 HA GLU 53 14.149 -1.397 -12.520 389 1HB GLU 53 2HB GLU 53 14.616 0.271 -10.763 390 2HB GLU 53 1HB GLU 53 13.488 -0.547 -9.682 391 1HG GLU 53 2HG GLU 53 14.869 -2.588 -9.774 392 2HG GLU 53 1HG GLU 53 16.002 -1.772 -10.852 393 H ILE 54 HN ILE 54 14.396 -3.622 -11.980 394 HA ILE 54 HA ILE 54 11.929 -4.952 -10.894 395 HB ILE 54 HB ILE 54 14.174 -5.885 -12.715 396 1HG1 ILE 54 2HG1 ILE 54 11.570 -6.256 -13.789 397 2HG1 ILE 54 1HG1 ILE 54 11.628 -4.616 -13.142 398 1HG2 ILE 54 1HG2 ILE 54 12.528 -7.911 -12.885 399 2HG2 ILE 54 2HG2 ILE 54 11.936 -7.339 -11.325 400 3HG2 ILE 54 3HG2 ILE 54 13.624 -7.820 -11.506 401 1HD1 ILE 54 1HD1 ILE 54 12.643 -4.075 -15.103 402 2HD1 ILE 54 2HD1 ILE 54 13.014 -5.758 -15.473 403 3HD1 ILE 54 3HD1 ILE 54 14.073 -4.835 -14.407 404 H ASN 55 HN ASN 55 12.105 -6.014 -9.017 405 HA ASN 55 HA ASN 55 14.828 -6.376 -7.822 406 1HB ASN 55 2HB ASN 55 12.042 -5.943 -6.730 407 2HB ASN 55 1HB ASN 55 13.339 -6.552 -5.700 408 1HD2 ASN 55 1HD2 ASN 55 12.042 -3.701 -7.220 409 2HD2 ASN 55 2HD2 ASN 55 13.250 -2.625 -6.705 410 H GLY 56 HN GLY 56 14.634 -8.338 -9.463 411 1HA GLY 56 2HA GLY 56 14.560 -10.710 -9.575 412 2HA GLY 56 1HA GLY 56 13.883 -10.736 -7.944 413 H ASN 57 HN ASN 57 11.797 -11.434 -7.895 414 HA ASN 57 HA ASN 57 10.153 -11.417 -10.312 415 1HB ASN 57 2HB ASN 57 9.037 -13.020 -9.157 416 2HB ASN 57 1HB ASN 57 10.332 -12.890 -7.988 417 1HD2 ASN 57 1HD2 ASN 57 7.271 -11.295 -8.810 418 2HD2 ASN 57 2HD2 ASN 57 6.782 -10.993 -7.211 419 H HIS 58 HN HIS 58 10.807 -9.271 -7.695 420 HA HIS 58 HA HIS 58 8.250 -7.877 -7.692 421 1HB HIS 58 2HB HIS 58 11.007 -7.490 -6.578 422 2HB HIS 58 1HB HIS 58 9.853 -6.160 -6.504 423 HD1 HIS 58 HD1 HIS 58 10.970 -8.529 -4.282 424 HD2 HIS 58 HD2 HIS 58 7.122 -7.631 -5.623 425 HE1 HIS 58 HE1 HIS 58 9.370 -9.403 -2.524 426 H VAL 59 HN VAL 59 8.006 -5.625 -8.406 427 HA VAL 59 HA VAL 59 10.047 -4.651 -10.321 428 HB VAL 59 HB VAL 59 7.129 -5.179 -10.937 429 1HG1 VAL 59 1HG1 VAL 59 9.291 -3.869 -12.600 430 2HG1 VAL 59 2HG1 VAL 59 7.887 -3.051 -11.921 431 3HG1 VAL 59 3HG1 VAL 59 7.674 -4.276 -13.173 432 1HG2 VAL 59 1HG2 VAL 59 8.511 -6.437 -12.851 433 2HG2 VAL 59 2HG2 VAL 59 8.192 -7.206 -11.296 434 3HG2 VAL 59 3HG2 VAL 59 9.757 -6.447 -11.599 435 H SER 60 HN SER 60 10.451 -2.621 -9.622 436 HA SER 60 HA SER 60 8.481 -0.999 -8.157 437 1HB SER 60 2HB SER 60 11.240 -0.356 -9.245 438 2HB SER 60 1HB SER 60 10.372 0.541 -8.004 439 HG SER 60 HG SER 60 11.908 -0.951 -7.145 440 H PHE 61 HN PHE 61 7.037 0.343 -9.264 441 HA PHE 61 HA PHE 61 7.706 1.052 -12.095 442 1HB PHE 61 2HB PHE 61 5.112 0.771 -10.547 443 2HB PHE 61 1HB PHE 61 5.179 1.471 -12.163 444 HD1 PHE 61 HD1 PHE 61 5.545 -1.610 -10.176 445 HD2 PHE 61 HD2 PHE 61 5.744 0.108 -14.111 446 HE1 PHE 61 HE1 PHE 61 5.515 -3.884 -11.173 447 HE2 PHE 61 HE2 PHE 61 5.715 -2.166 -15.105 448 HZ PHE 61 HZ PHE 61 5.597 -4.162 -13.636 449 H ASP 62 HN ASP 62 7.283 3.277 -12.764 450 HA ASP 62 HA ASP 62 7.817 5.192 -10.567 451 1HB ASP 62 2HB ASP 62 8.086 6.757 -12.555 452 2HB ASP 62 1HB ASP 62 9.158 5.361 -12.567 453 H LEU 63 HN LEU 63 6.565 6.964 -10.064 454 HA LEU 63 HA LEU 63 3.904 7.335 -11.298 455 1HB LEU 63 2HB LEU 63 4.496 5.607 -9.080 456 2HB LEU 63 1HB LEU 63 3.528 6.953 -8.499 457 HG LEU 63 HG LEU 63 2.463 6.059 -11.013 458 1HD1 LEU 63 1HD1 LEU 63 2.572 3.811 -10.910 459 2HD1 LEU 63 2HD1 LEU 63 1.948 3.819 -9.261 460 3HD1 LEU 63 3HD1 LEU 63 3.684 3.970 -9.548 461 1HD2 LEU 63 1HD2 LEU 63 1.414 7.213 -8.900 462 2HD2 LEU 63 2HD2 LEU 63 1.211 5.563 -8.313 463 3HD2 LEU 63 3HD2 LEU 63 0.430 6.068 -9.813 464 H MET 64 HN MET 64 4.306 9.587 -11.545 465 HA MET 64 HA MET 64 5.706 11.233 -9.682 466 1HB MET 64 2HB MET 64 5.074 11.732 -12.076 467 2HB MET 64 1HB MET 64 3.421 12.002 -11.526 468 1HG MET 64 2HG MET 64 4.311 13.728 -9.925 469 2HG MET 64 1HG MET 64 5.890 13.542 -10.688 470 1HE MET 64 1HE MET 64 6.439 13.743 -12.867 471 2HE MET 64 2HE MET 64 5.830 14.960 -13.985 472 3HE MET 64 3HE MET 64 5.149 13.336 -14.006 473 H LYS 65 HN LYS 65 4.996 12.322 -7.832 474 HA LYS 65 HA LYS 65 2.911 11.211 -6.303 475 1HB LYS 65 2HB LYS 65 4.839 12.479 -5.439 476 2HB LYS 65 1HB LYS 65 4.208 13.954 -6.171 477 1HG LYS 65 2HG LYS 65 3.573 13.981 -3.845 478 2HG LYS 65 1HG LYS 65 2.119 13.644 -4.784 479 1HD LYS 65 2HD LYS 65 2.267 11.282 -4.297 480 2HD LYS 65 1HD LYS 65 3.848 11.488 -3.542 481 1HE LYS 65 2HE LYS 65 1.419 12.963 -2.503 482 2HE LYS 65 1HE LYS 65 1.828 11.330 -1.941 483 1HZ LYS 65 1HZ LYS 65 4.202 12.371 -1.776 484 2HZ LYS 65 2HZ LYS 65 3.085 12.586 -0.516 485 3HZ LYS 65 3HZ LYS 65 3.345 13.827 -1.646 486 H GLU 66 HN GLU 66 2.903 14.233 -8.226 487 HA GLU 66 HA GLU 66 0.161 14.909 -7.575 488 1HB GLU 66 2HB GLU 66 1.867 16.519 -8.357 489 2HB GLU 66 1HB GLU 66 1.968 15.668 -9.898 490 1HG GLU 66 2HG GLU 66 -0.410 16.160 -10.332 491 2HG GLU 66 1HG GLU 66 -0.513 17.017 -8.793 492 H THR 67 HN THR 67 1.712 13.154 -10.260 493 HA THR 67 HA THR 67 -0.682 12.622 -11.775 494 HB THR 67 HB THR 67 1.862 11.005 -11.387 495 HG1 THR 67 HG1 THR 67 1.235 12.724 -13.529 496 1HG2 THR 67 1HG2 THR 67 0.829 9.490 -12.693 497 2HG2 THR 67 2HG2 THR 67 0.847 10.692 -13.982 498 3HG2 THR 67 3HG2 THR 67 -0.557 10.555 -12.923 499 H LEU 68 HN LEU 68 0.874 11.029 -9.020 500 HA LEU 68 HA LEU 68 -0.719 8.691 -8.854 501 1HB LEU 68 2HB LEU 68 1.398 9.145 -7.662 502 2HB LEU 68 1HB LEU 68 0.611 10.426 -6.743 503 HG LEU 68 HG LEU 68 -1.090 8.487 -6.130 504 1HD1 LEU 68 1HD1 LEU 68 1.425 7.088 -7.031 505 2HD1 LEU 68 2HD1 LEU 68 -0.250 6.683 -7.402 506 3HD1 LEU 68 3HD1 LEU 68 0.394 6.382 -5.788 507 1HD2 LEU 68 1HD2 LEU 68 1.380 8.067 -4.621 508 2HD2 LEU 68 2HD2 LEU 68 -0.155 8.754 -4.087 509 3HD2 LEU 68 3HD2 LEU 68 1.037 9.776 -4.894 510 H ARG 69 HN ARG 69 -1.108 11.912 -7.359 511 HA ARG 69 HA ARG 69 -3.619 11.318 -6.052 512 1HB ARG 69 2HB ARG 69 -2.047 13.105 -5.403 513 2HB ARG 69 1HB ARG 69 -2.323 13.911 -6.947 514 1HG ARG 69 2HG ARG 69 -4.707 14.181 -6.391 515 2HG ARG 69 1HG ARG 69 -4.441 13.366 -4.847 516 1HD ARG 69 2HD ARG 69 -2.849 15.132 -4.176 517 2HD ARG 69 1HD ARG 69 -3.117 15.959 -5.721 518 HE ARG 69 HE ARG 69 -5.018 15.840 -3.487 519 1HH1 ARG 69 1HH1 ARG 69 -4.528 16.256 -6.885 520 2HH1 ARG 69 2HH1 ARG 69 -5.989 17.157 -7.112 521 1HH2 ARG 69 1HH2 ARG 69 -6.924 17.005 -3.780 522 2HH2 ARG 69 2HH2 ARG 69 -7.344 17.577 -5.360 523 H ILE 70 HN ILE 70 -2.757 12.787 -9.179 524 HA ILE 70 HA ILE 70 -5.357 13.647 -9.922 525 HB ILE 70 HB ILE 70 -2.773 13.806 -10.816 526 1HG1 ILE 70 2HG1 ILE 70 -5.180 14.471 -12.514 527 2HG1 ILE 70 1HG1 ILE 70 -4.727 15.390 -11.078 528 1HG2 ILE 70 1HG2 ILE 70 -2.671 11.800 -12.068 529 2HG2 ILE 70 2HG2 ILE 70 -2.955 13.064 -13.260 530 3HG2 ILE 70 3HG2 ILE 70 -4.285 12.037 -12.736 531 1HD1 ILE 70 1HD1 ILE 70 -2.569 15.946 -12.050 532 2HD1 ILE 70 2HD1 ILE 70 -3.834 16.382 -13.198 533 3HD1 ILE 70 3HD1 ILE 70 -2.890 14.914 -13.443 534 H THR 71 HN THR 71 -3.605 10.632 -10.508 535 HA THR 71 HA THR 71 -5.908 9.388 -11.853 536 HB THR 71 HB THR 71 -4.373 7.504 -12.059 537 HG1 THR 71 HG1 THR 71 -2.480 8.895 -10.519 538 1HG2 THR 71 1HG2 THR 71 -2.654 8.513 -13.332 539 2HG2 THR 71 2HG2 THR 71 -2.652 9.963 -12.329 540 3HG2 THR 71 3HG2 THR 71 -4.001 9.648 -13.420 541 H ASN 72 HN ASN 72 -6.137 6.957 -10.835 542 HA ASN 72 HA ASN 72 -6.719 7.310 -7.930 543 1HB ASN 72 2HB ASN 72 -8.669 6.624 -9.023 544 2HB ASN 72 1HB ASN 72 -7.788 5.683 -10.217 545 1HD2 ASN 72 1HD2 ASN 72 -8.794 3.653 -9.893 546 2HD2 ASN 72 2HD2 ASN 72 -8.746 2.813 -8.421 547 H LEU 73 HN LEU 73 -4.068 6.753 -9.454 548 HA LEU 73 HA LEU 73 -3.284 4.042 -8.726 549 1HB LEU 73 2HB LEU 73 -1.812 6.606 -9.390 550 2HB LEU 73 1HB LEU 73 -0.988 5.074 -9.107 551 HG LEU 73 HG LEU 73 -3.055 5.632 -11.263 552 1HD1 LEU 73 1HD1 LEU 73 -0.883 6.533 -11.833 553 2HD1 LEU 73 2HD1 LEU 73 -1.100 5.036 -12.740 554 3HD1 LEU 73 3HD1 LEU 73 -0.078 5.057 -11.304 555 1HD2 LEU 73 1HD2 LEU 73 -2.056 3.146 -10.033 556 2HD2 LEU 73 2HD2 LEU 73 -1.910 3.181 -11.790 557 3HD2 LEU 73 3HD2 LEU 73 -3.486 3.410 -11.031 558 H GLY 74 HN GLY 74 -2.998 7.246 -7.176 559 1HA GLY 74 2HA GLY 74 -1.310 6.669 -5.068 560 2HA GLY 74 1HA GLY 74 -2.663 7.784 -4.920 561 H ASP 75 HN ASP 75 -4.507 5.434 -5.595 562 HA ASP 75 HA ASP 75 -5.282 4.878 -2.910 563 1HB ASP 75 2HB ASP 75 -6.942 3.485 -3.986 564 2HB ASP 75 1HB ASP 75 -6.648 4.869 -5.039 565 H LEU 76 HN LEU 76 -2.909 3.369 -4.910 566 HA LEU 76 HA LEU 76 -3.032 0.672 -4.066 567 1HB LEU 76 2HB LEU 76 -0.685 2.433 -4.792 568 2HB LEU 76 1HB LEU 76 -0.616 0.677 -4.715 569 HG LEU 76 HG LEU 76 -2.564 2.200 -6.463 570 1HD1 LEU 76 1HD1 LEU 76 -0.208 2.586 -7.159 571 2HD1 LEU 76 2HD1 LEU 76 -1.086 1.607 -8.333 572 3HD1 LEU 76 3HD1 LEU 76 0.044 0.842 -7.216 573 1HD2 LEU 76 1HD2 LEU 76 -3.444 0.169 -6.911 574 2HD2 LEU 76 2HD2 LEU 76 -2.485 -0.461 -5.571 575 3HD2 LEU 76 3HD2 LEU 76 -1.848 -0.515 -7.216 576 H LYS 77 HN LYS 77 -2.242 -0.410 -2.326 577 HA LYS 77 HA LYS 77 -0.549 1.017 -0.330 578 1HB LYS 77 2HB LYS 77 -3.158 -0.453 0.196 579 2HB LYS 77 1HB LYS 77 -2.041 0.045 1.467 580 1HG LYS 77 2HG LYS 77 -2.269 2.397 0.753 581 2HG LYS 77 1HG LYS 77 -3.390 1.901 -0.516 582 1HD LYS 77 2HD LYS 77 -4.931 1.001 1.190 583 2HD LYS 77 1HD LYS 77 -3.813 1.500 2.461 584 1HE LYS 77 2HE LYS 77 -4.125 3.832 1.939 585 2HE LYS 77 1HE LYS 77 -5.020 3.438 0.458 586 1HZ LYS 77 1HZ LYS 77 -5.826 2.733 3.231 587 2HZ LYS 77 2HZ LYS 77 -6.655 2.264 1.825 588 3HZ LYS 77 3HZ LYS 77 -6.560 3.906 2.250 589 H VAL 78 HN VAL 78 1.007 -0.378 0.534 590 HA VAL 78 HA VAL 78 1.612 -2.778 -0.838 591 HB VAL 78 HB VAL 78 2.423 -2.018 1.983 592 1HG1 VAL 78 1HG1 VAL 78 4.421 -3.097 0.128 593 2HG1 VAL 78 2HG1 VAL 78 3.077 -4.217 0.412 594 3HG1 VAL 78 3HG1 VAL 78 4.023 -3.607 1.772 595 1HG2 VAL 78 1HG2 VAL 78 4.229 -1.206 -0.125 596 2HG2 VAL 78 2HG2 VAL 78 3.510 -0.234 1.157 597 3HG2 VAL 78 3HG2 VAL 78 2.640 -0.481 -0.358 598 H GLY 79 HN GLY 79 1.460 -4.966 -0.172 599 1HA GLY 79 2HA GLY 79 0.591 -6.787 1.113 600 2HA GLY 79 1HA GLY 79 -0.311 -5.630 2.095 601 H ASP 80 HN ASP 80 -1.002 -4.339 -0.675 602 HA ASP 80 HA ASP 80 -3.420 -6.015 -1.155 603 1HB ASP 80 2HB ASP 80 -3.396 -3.477 -0.760 604 2HB ASP 80 1HB ASP 80 -2.667 -3.342 -2.360 605 H TRP 81 HN TRP 81 -3.989 -6.358 -3.511 606 HA TRP 81 HA TRP 81 -1.504 -6.759 -5.147 607 1HB TRP 81 2HB TRP 81 -4.111 -8.281 -4.935 608 2HB TRP 81 1HB TRP 81 -2.982 -8.536 -6.262 609 HD1 TRP 81 HD1 TRP 81 -2.405 -8.119 -2.450 610 HE1 TRP 81 HE1 TRP 81 -0.900 -10.046 -1.659 611 HE3 TRP 81 HE3 TRP 81 -1.881 -10.685 -6.836 612 HZ2 TRP 81 HZ2 TRP 81 0.356 -12.379 -2.733 613 HZ3 TRP 81 HZ3 TRP 81 -0.524 -12.760 -6.924 614 HH2 TRP 81 HH2 TRP 81 0.594 -13.606 -4.875 615 H VAL 82 HN VAL 82 -1.760 -6.376 -7.447 616 HA VAL 82 HA VAL 82 -3.946 -4.460 -8.130 617 HB VAL 82 HB VAL 82 -1.906 -3.248 -8.044 618 1HG1 VAL 82 1HG1 VAL 82 -0.141 -4.683 -7.756 619 2HG1 VAL 82 2HG1 VAL 82 0.070 -4.386 -9.483 620 3HG1 VAL 82 3HG1 VAL 82 -0.762 -5.841 -8.932 621 1HG2 VAL 82 1HG2 VAL 82 -1.452 -3.971 -10.856 622 2HG2 VAL 82 2HG2 VAL 82 -1.889 -2.410 -10.156 623 3HG2 VAL 82 3HG2 VAL 82 -3.140 -3.611 -10.483 624 H ASN 83 HN ASN 83 -4.832 -4.663 -10.222 625 HA ASN 83 HA ASN 83 -4.527 -7.225 -11.637 626 1HB ASN 83 2HB ASN 83 -6.263 -4.868 -11.569 627 2HB ASN 83 1HB ASN 83 -5.908 -5.368 -13.217 628 1HD2 ASN 83 1HD2 ASN 83 -5.672 -8.225 -12.703 629 2HD2 ASN 83 2HD2 ASN 83 -7.218 -8.795 -12.296 630 H VAL 84 HN VAL 84 -2.471 -7.361 -12.601 631 HA VAL 84 HA VAL 84 -1.492 -4.924 -14.010 632 HB VAL 84 HB VAL 84 0.663 -6.500 -14.021 633 1HG1 VAL 84 1HG1 VAL 84 -0.180 -5.221 -11.426 634 2HG1 VAL 84 2HG1 VAL 84 0.116 -4.253 -12.873 635 3HG1 VAL 84 3HG1 VAL 84 1.412 -5.234 -12.189 636 1HG2 VAL 84 1HG2 VAL 84 0.776 -7.878 -12.006 637 2HG2 VAL 84 2HG2 VAL 84 -0.569 -8.428 -13.005 638 3HG2 VAL 84 3HG2 VAL 84 -0.877 -7.439 -11.577 639 H GLU 85 HN GLU 85 -1.124 -4.888 -16.136 640 HA GLU 85 HA GLU 85 -1.499 -7.422 -17.710 641 1HB GLU 85 2HB GLU 85 -3.519 -6.001 -17.718 642 2HB GLU 85 1HB GLU 85 -2.557 -4.632 -18.276 643 1HG GLU 85 2HG GLU 85 -1.967 -5.876 -20.324 644 2HG GLU 85 1HG GLU 85 -2.932 -7.245 -19.770 645 H ARG 86 HN ARG 86 -0.129 -7.611 -19.528 646 HA ARG 86 HA ARG 86 2.300 -5.996 -19.451 647 1HB ARG 86 2HB ARG 86 3.058 -7.643 -21.072 648 2HB ARG 86 1HB ARG 86 2.121 -8.477 -19.830 649 1HG ARG 86 2HG ARG 86 0.107 -8.308 -21.310 650 2HG ARG 86 1HG ARG 86 1.139 -7.631 -22.569 651 1HD ARG 86 2HD ARG 86 2.570 -9.719 -22.401 652 2HD ARG 86 1HD ARG 86 1.312 -10.404 -21.350 653 HE ARG 86 HE ARG 86 0.224 -9.263 -23.801 654 1HH1 ARG 86 1HH1 ARG 86 1.697 -12.017 -22.319 655 2HH1 ARG 86 2HH1 ARG 86 1.019 -13.143 -23.444 656 1HH2 ARG 86 1HH2 ARG 86 -0.663 -10.724 -25.269 657 2HH2 ARG 86 2HH2 ARG 86 -0.315 -12.413 -25.112 658 H ALA 87 HN ALA 87 2.825 -4.311 -20.797 659 HA ALA 87 HA ALA 87 1.251 -3.933 -23.310 660 1HB ALA 87 1HB ALA 87 0.857 -1.689 -22.786 661 2HB ALA 87 2HB ALA 87 2.200 -1.619 -21.646 662 3HB ALA 87 3HB ALA 87 0.710 -2.453 -21.203 663 H ALA 88 HN ALA 88 2.482 -3.159 -25.044 664 HA ALA 88 HA ALA 88 5.430 -2.828 -24.568 665 1HB ALA 88 1HB ALA 88 4.508 -5.085 -25.430 666 2HB ALA 88 2HB ALA 88 5.821 -4.352 -26.351 667 3HB ALA 88 3HB ALA 88 4.161 -4.225 -26.929 668 H LYS 89 HN LYS 89 6.254 -1.025 -25.530 669 HA LYS 89 HA LYS 89 4.663 0.935 -26.828 670 1HB LYS 89 2HB LYS 89 7.632 0.340 -26.736 671 2HB LYS 89 1HB LYS 89 6.974 1.830 -27.416 672 1HG LYS 89 2HG LYS 89 6.364 2.657 -25.369 673 2HG LYS 89 1HG LYS 89 5.972 1.061 -24.726 674 1HD LYS 89 2HD LYS 89 8.278 0.542 -24.358 675 2HD LYS 89 1HD LYS 89 8.810 1.955 -25.272 676 1HE LYS 89 2HE LYS 89 7.790 3.443 -23.569 677 2HE LYS 89 1HE LYS 89 7.288 2.016 -22.640 678 1HZ LYS 89 1HZ LYS 89 9.711 1.311 -22.836 679 2HZ LYS 89 2HZ LYS 89 9.364 2.575 -21.754 680 3HZ LYS 89 3HZ LYS 89 10.034 2.916 -23.278 681 H PHE 90 HN PHE 90 6.782 -1.595 -28.190 682 HA PHE 90 HA PHE 90 5.353 -1.367 -30.777 683 1HB PHE 90 2HB PHE 90 7.435 -0.931 -31.984 684 2HB PHE 90 1HB PHE 90 7.210 0.305 -30.749 685 HD1 PHE 90 HD1 PHE 90 8.594 0.358 -28.734 686 HD2 PHE 90 HD2 PHE 90 9.144 -2.670 -31.736 687 HE1 PHE 90 HE1 PHE 90 10.770 -0.260 -27.713 688 HE2 PHE 90 HE2 PHE 90 11.321 -3.287 -30.714 689 HZ PHE 90 HZ PHE 90 12.134 -2.082 -28.703 690 H SER 91 HN SER 91 5.889 -3.190 -32.214 691 HA SER 91 HA SER 91 7.306 -5.456 -30.861 692 1HB SER 91 2HB SER 91 5.480 -6.920 -31.662 693 2HB SER 91 1HB SER 91 4.850 -5.649 -30.619 694 HG SER 91 HG SER 91 3.569 -5.446 -32.320 695 H ASP 92 HN ASP 92 8.401 -6.864 -32.335 696 HA ASP 92 HA ASP 92 9.307 -5.658 -34.795 697 1HB ASP 92 2HB ASP 92 10.579 -7.205 -33.287 698 2HB ASP 92 1HB ASP 92 9.521 -8.519 -33.803 699 H GLU 93 HN GLU 93 7.283 -8.549 -34.164 700 HA GLU 93 HA GLU 93 5.734 -8.116 -36.617 701 1HB GLU 93 2HB GLU 93 6.673 -10.140 -37.707 702 2HB GLU 93 1HB GLU 93 7.908 -8.913 -37.424 703 1HG GLU 93 2HG GLU 93 8.571 -10.087 -35.337 704 2HG GLU 93 1HG GLU 93 7.391 -11.347 -35.694 705 H ILE 94 HN ILE 94 4.331 -8.315 -34.471 706 HA ILE 94 HA ILE 94 3.810 -10.888 -33.307 707 HB ILE 94 HB ILE 94 2.004 -8.506 -33.849 708 1HG1 ILE 94 2HG1 ILE 94 3.957 -7.826 -32.589 709 2HG1 ILE 94 1HG1 ILE 94 2.608 -7.956 -31.459 710 1HG2 ILE 94 1HG2 ILE 94 1.461 -11.088 -32.740 711 2HG2 ILE 94 2HG2 ILE 94 0.374 -9.704 -32.862 712 3HG2 ILE 94 3HG2 ILE 94 1.389 -9.904 -31.434 713 1HD1 ILE 94 1HD1 ILE 94 4.796 -10.002 -31.915 714 2HD1 ILE 94 2HD1 ILE 94 3.373 -10.285 -30.913 715 3HD1 ILE 94 3HD1 ILE 94 4.536 -9.038 -30.463 716 H GLY 95 HN GLY 95 2.377 -9.203 -36.111 717 1HA GLY 95 2HA GLY 95 0.925 -10.034 -37.789 718 2HA GLY 95 1HA GLY 95 2.179 -11.270 -37.880 719 H GLY 96 HN GLY 96 -0.723 -10.457 -35.951 720 1HA GLY 96 2HA GLY 96 -2.503 -11.846 -35.303 721 2HA GLY 96 1HA GLY 96 -1.896 -13.036 -36.453 722 H HIS 97 HN HIS 97 0.340 -11.901 -34.076 723 HA HIS 97 HA HIS 97 1.317 -12.991 -32.217 724 1HB HIS 97 2HB HIS 97 -1.251 -12.747 -31.714 725 2HB HIS 97 1HB HIS 97 -1.280 -14.492 -31.964 726 HD1 HIS 97 HD1 HIS 97 -0.411 -15.949 -30.089 727 HD2 HIS 97 HD2 HIS 97 0.526 -11.927 -29.527 728 HE1 HIS 97 HE1 HIS 97 0.563 -15.761 -27.759 729 1H MET 1 1HT MET 1 0.275 2.662 -28.024 730 2H MET 1 2HT MET 1 1.100 1.867 -29.275 731 3H MET 1 3HT MET 1 0.940 1.126 -27.756 732 HA MET 1 HA MET 1 -1.384 1.802 -29.469 733 1HB MET 1 2HB MET 1 0.361 -0.636 -29.215 734 2HB MET 1 1HB MET 1 -1.253 -0.707 -29.915 735 1HG MET 1 2HG MET 1 -0.591 0.968 -31.611 736 2HG MET 1 1HG MET 1 1.027 1.028 -30.917 737 1HE MET 1 1HE MET 1 2.870 -0.795 -31.218 738 2HE MET 1 2HE MET 1 2.425 -2.487 -31.415 739 3HE MET 1 3HE MET 1 1.790 -1.571 -30.052 740 H PHE 2 HN PHE 2 -0.974 2.200 -26.715 741 HA PHE 2 HA PHE 2 -3.390 1.091 -25.724 742 1HB PHE 2 2HB PHE 2 -2.535 -0.451 -24.064 743 2HB PHE 2 1HB PHE 2 -1.864 -0.927 -25.620 744 HD1 PHE 2 HD1 PHE 2 0.473 -1.144 -25.870 745 HD2 PHE 2 HD2 PHE 2 -1.103 1.164 -22.601 746 HE1 PHE 2 HE1 PHE 2 2.764 -0.868 -24.955 747 HE2 PHE 2 HE2 PHE 2 1.188 1.440 -21.693 748 HZ PHE 2 HZ PHE 2 3.120 0.426 -22.869 749 H THR 3 HN THR 3 -4.013 2.311 -23.893 750 HA THR 3 HA THR 3 -1.904 4.016 -22.644 751 HB THR 3 HB THR 3 -3.520 5.901 -22.845 752 HG1 THR 3 HG1 THR 3 -5.499 5.291 -23.121 753 1HG2 THR 3 1HG2 THR 3 -2.287 4.503 -25.116 754 2HG2 THR 3 2HG2 THR 3 -2.299 6.222 -24.715 755 3HG2 THR 3 3HG2 THR 3 -3.658 5.512 -25.582 756 H GLY 4 HN GLY 4 -5.213 2.732 -22.539 757 1HA GLY 4 2HA GLY 4 -6.638 2.317 -20.728 758 2HA GLY 4 1HA GLY 4 -5.173 1.808 -19.888 759 H ILE 5 HN ILE 5 -5.310 5.045 -21.139 760 HA ILE 5 HA ILE 5 -4.979 6.074 -18.399 761 HB ILE 5 HB ILE 5 -5.130 7.475 -21.090 762 1HG1 ILE 5 2HG1 ILE 5 -2.747 6.456 -19.511 763 2HG1 ILE 5 1HG1 ILE 5 -3.362 5.752 -21.004 764 1HG2 ILE 5 1HG2 ILE 5 -4.474 9.394 -20.035 765 2HG2 ILE 5 2HG2 ILE 5 -3.497 8.530 -18.842 766 3HG2 ILE 5 3HG2 ILE 5 -5.250 8.642 -18.641 767 1HD1 ILE 5 1HD1 ILE 5 -3.071 8.431 -21.651 768 2HD1 ILE 5 2HD1 ILE 5 -1.942 7.145 -22.078 769 3HD1 ILE 5 3HD1 ILE 5 -1.673 8.110 -20.625 770 H VAL 6 HN VAL 6 -6.697 6.636 -17.158 771 HA VAL 6 HA VAL 6 -9.389 6.699 -18.175 772 HB VAL 6 HB VAL 6 -7.942 7.108 -15.587 773 1HG1 VAL 6 1HG1 VAL 6 -10.188 7.558 -14.490 774 2HG1 VAL 6 2HG1 VAL 6 -10.813 7.929 -16.096 775 3HG1 VAL 6 3HG1 VAL 6 -9.525 8.914 -15.404 776 1HG2 VAL 6 1HG2 VAL 6 -10.287 5.528 -15.387 777 2HG2 VAL 6 2HG2 VAL 6 -8.614 4.968 -15.416 778 3HG2 VAL 6 3HG2 VAL 6 -9.524 5.109 -16.920 779 H GLN 7 HN GLN 7 -10.822 8.482 -18.342 780 HA GLN 7 HA GLN 7 -9.512 11.080 -18.917 781 1HB GLN 7 2HB GLN 7 -11.569 11.541 -20.080 782 2HB GLN 7 1HB GLN 7 -11.157 9.862 -20.433 783 1HG GLN 7 2HG GLN 7 -12.714 9.066 -18.750 784 2HG GLN 7 1HG GLN 7 -13.041 10.715 -18.216 785 1HE2 GLN 7 1HE2 GLN 7 -14.683 11.852 -19.305 786 2HE2 GLN 7 2HE2 GLN 7 -15.459 11.295 -20.709 787 H GLY 8 HN GLY 8 -11.593 9.591 -16.501 788 1HA GLY 8 2HA GLY 8 -11.629 12.153 -15.001 789 2HA GLY 8 1HA GLY 8 -13.188 11.462 -15.447 790 H THR 9 HN THR 9 -12.828 11.718 -12.796 791 HA THR 9 HA THR 9 -12.011 8.981 -11.877 792 HB THR 9 HB THR 9 -11.601 10.374 -9.690 793 HG1 THR 9 HG1 THR 9 -10.858 12.538 -10.547 794 1HG2 THR 9 1HG2 THR 9 -9.876 9.295 -11.169 795 2HG2 THR 9 2HG2 THR 9 -9.321 10.774 -10.383 796 3HG2 THR 9 3HG2 THR 9 -9.794 10.803 -12.081 797 H ALA 10 HN ALA 10 -13.074 8.430 -9.723 798 HA ALA 10 HA ALA 10 -15.853 9.532 -9.467 799 1HB ALA 10 1HB ALA 10 -14.966 6.945 -10.480 800 2HB ALA 10 2HB ALA 10 -16.592 7.631 -10.454 801 3HB ALA 10 3HB ALA 10 -15.985 6.754 -9.051 802 H LYS 11 HN LYS 11 -16.661 9.347 -7.312 803 HA LYS 11 HA LYS 11 -14.561 8.663 -5.289 804 1HB LYS 11 2HB LYS 11 -15.417 10.958 -5.289 805 2HB LYS 11 1HB LYS 11 -17.068 10.355 -5.172 806 1HG LYS 11 2HG LYS 11 -16.601 9.351 -3.002 807 2HG LYS 11 1HG LYS 11 -14.907 9.824 -3.119 808 1HD LYS 11 2HD LYS 11 -15.337 11.986 -2.558 809 2HD LYS 11 1HD LYS 11 -16.843 12.029 -3.477 810 1HE LYS 11 2HE LYS 11 -18.042 10.881 -1.714 811 2HE LYS 11 1HE LYS 11 -16.535 10.560 -0.833 812 1HZ LYS 11 1HZ LYS 11 -17.043 13.327 -1.592 813 2HZ LYS 11 2HZ LYS 11 -16.340 12.701 -0.177 814 3HZ LYS 11 3HZ LYS 11 -18.029 12.700 -0.362 815 H LEU 12 HN LEU 12 -14.867 6.635 -4.441 816 HA LEU 12 HA LEU 12 -17.327 5.145 -4.450 817 1HB LEU 12 2HB LEU 12 -14.822 4.495 -3.965 818 2HB LEU 12 1HB LEU 12 -15.204 4.975 -2.323 819 HG LEU 12 HG LEU 12 -16.970 3.335 -2.176 820 1HD1 LEU 12 1HD1 LEU 12 -16.659 3.364 -5.117 821 2HD1 LEU 12 2HD1 LEU 12 -18.095 3.061 -4.141 822 3HD1 LEU 12 3HD1 LEU 12 -16.927 1.769 -4.415 823 1HD2 LEU 12 1HD2 LEU 12 -15.226 1.439 -3.447 824 2HD2 LEU 12 2HD2 LEU 12 -15.407 1.773 -1.725 825 3HD2 LEU 12 3HD2 LEU 12 -14.238 2.684 -2.681 826 H VAL 13 HN VAL 13 -19.098 5.515 -3.242 827 HA VAL 13 HA VAL 13 -18.810 7.148 -0.749 828 HB VAL 13 HB VAL 13 -19.683 8.583 -2.403 829 1HG1 VAL 13 1HG1 VAL 13 -20.780 6.132 -3.509 830 2HG1 VAL 13 2HG1 VAL 13 -20.430 7.666 -4.310 831 3HG1 VAL 13 3HG1 VAL 13 -21.971 7.430 -3.482 832 1HG2 VAL 13 1HG2 VAL 13 -22.109 8.842 -1.763 833 2HG2 VAL 13 2HG2 VAL 13 -21.008 8.727 -0.391 834 3HG2 VAL 13 3HG2 VAL 13 -21.967 7.328 -0.870 835 H SER 14 HN SER 14 -20.487 4.588 -2.468 836 HA SER 14 HA SER 14 -21.505 3.585 0.158 837 1HB SER 14 2HB SER 14 -23.058 5.084 -1.439 838 2HB SER 14 1HB SER 14 -23.328 3.519 -2.197 839 HG SER 14 HG SER 14 -24.196 2.764 -0.359 840 H ILE 15 HN ILE 15 -21.504 1.334 0.268 841 HA ILE 15 HA ILE 15 -20.855 -0.153 -2.258 842 HB ILE 15 HB ILE 15 -20.571 -1.106 0.604 843 1HG1 ILE 15 2HG1 ILE 15 -18.580 0.283 -1.209 844 2HG1 ILE 15 1HG1 ILE 15 -19.205 0.866 0.330 845 1HG2 ILE 15 1HG2 ILE 15 -19.759 -2.078 -2.123 846 2HG2 ILE 15 2HG2 ILE 15 -20.491 -2.978 -0.796 847 3HG2 ILE 15 3HG2 ILE 15 -18.786 -2.526 -0.724 848 1HD1 ILE 15 1HD1 ILE 15 -18.170 -1.722 0.828 849 2HD1 ILE 15 2HD1 ILE 15 -17.507 -0.184 1.374 850 3HD1 ILE 15 3HD1 ILE 15 -16.964 -0.883 -0.151 851 H ASP 16 HN ASP 16 -22.408 -1.489 -3.026 852 HA ASP 16 HA ASP 16 -24.722 -2.156 -1.248 853 1HB ASP 16 2HB ASP 16 -24.343 -1.748 -4.203 854 2HB ASP 16 1HB ASP 16 -25.723 -2.671 -3.606 855 H GLU 17 HN GLU 17 -24.468 -4.204 -0.426 856 HA GLU 17 HA GLU 17 -22.937 -6.185 -2.053 857 1HB GLU 17 2HB GLU 17 -22.133 -5.588 0.200 858 2HB GLU 17 1HB GLU 17 -23.688 -6.059 0.886 859 1HG GLU 17 2HG GLU 17 -23.349 -8.366 0.079 860 2HG GLU 17 1HG GLU 17 -21.790 -7.898 -0.602 861 H LYS 18 HN LYS 18 -24.285 -7.485 -3.241 862 HA LYS 18 HA LYS 18 -26.827 -8.449 -1.970 863 1HB LYS 18 2HB LYS 18 -26.083 -8.776 -4.873 864 2HB LYS 18 1HB LYS 18 -27.685 -8.661 -4.155 865 1HG LYS 18 2HG LYS 18 -26.441 -6.243 -3.483 866 2HG LYS 18 1HG LYS 18 -25.968 -6.540 -5.156 867 1HD LYS 18 2HD LYS 18 -28.819 -7.048 -4.469 868 2HD LYS 18 1HD LYS 18 -28.302 -5.361 -4.504 869 1HE LYS 18 2HE LYS 18 -27.197 -6.023 -6.799 870 2HE LYS 18 1HE LYS 18 -28.359 -7.363 -6.750 871 1HZ LYS 18 1HZ LYS 18 -29.460 -5.530 -7.758 872 2HZ LYS 18 2HZ LYS 18 -28.944 -4.459 -6.543 873 3HZ LYS 18 3HZ LYS 18 -30.084 -5.668 -6.187 874 HA PRO 19 HA PRO 19 -24.673 -12.257 -1.267 875 1HB PRO 19 2HB PRO 19 -27.020 -13.827 -1.413 876 2HB PRO 19 1HB PRO 19 -26.317 -13.123 0.055 877 1HG PRO 19 2HG PRO 19 -28.564 -12.156 -1.614 878 2HG PRO 19 1HG PRO 19 -28.297 -11.997 0.129 879 1HD PRO 19 2HD PRO 19 -27.968 -9.926 -1.555 880 2HD PRO 19 1HD PRO 19 -26.946 -10.137 -0.113 881 H ASN 20 HN ASN 20 -26.840 -11.612 -3.935 882 HA ASN 20 HA ASN 20 -25.992 -13.949 -5.519 883 1HB ASN 20 2HB ASN 20 -27.385 -11.408 -6.407 884 2HB ASN 20 1HB ASN 20 -27.480 -13.006 -7.151 885 1HD2 ASN 20 1HD2 ASN 20 -28.669 -11.017 -4.499 886 2HD2 ASN 20 2HD2 ASN 20 -29.828 -12.123 -3.942 887 H PHE 21 HN PHE 21 -25.325 -10.456 -5.381 888 HA PHE 21 HA PHE 21 -22.720 -10.870 -6.722 889 1HB PHE 21 2HB PHE 21 -24.961 -9.173 -7.875 890 2HB PHE 21 1HB PHE 21 -23.323 -9.271 -8.524 891 HD1 PHE 21 HD1 PHE 21 -26.566 -10.918 -8.261 892 HD2 PHE 21 HD2 PHE 21 -22.467 -11.429 -9.452 893 HE1 PHE 21 HE1 PHE 21 -27.193 -12.948 -9.544 894 HE2 PHE 21 HE2 PHE 21 -23.094 -13.459 -10.736 895 HZ PHE 21 HZ PHE 21 -25.455 -14.218 -10.782 896 H ARG 22 HN ARG 22 -21.300 -9.055 -6.352 897 HA ARG 22 HA ARG 22 -22.212 -7.252 -4.186 898 1HB ARG 22 2HB ARG 22 -20.072 -8.505 -4.045 899 2HB ARG 22 1HB ARG 22 -19.500 -7.648 -5.473 900 1HG ARG 22 2HG ARG 22 -19.656 -5.514 -4.322 901 2HG ARG 22 1HG ARG 22 -20.373 -6.293 -2.910 902 1HD ARG 22 2HD ARG 22 -18.304 -7.597 -2.565 903 2HD ARG 22 1HD ARG 22 -17.574 -6.817 -3.982 904 HE ARG 22 HE ARG 22 -18.382 -4.653 -2.535 905 1HH1 ARG 22 1HH1 ARG 22 -16.663 -7.539 -1.707 906 2HH1 ARG 22 2HH1 ARG 22 -15.793 -6.797 -0.409 907 1HH2 ARG 22 1HH2 ARG 22 -17.247 -3.684 -0.846 908 2HH2 ARG 22 2HH2 ARG 22 -16.120 -4.620 0.078 909 H THR 23 HN THR 23 -22.272 -5.027 -4.390 910 HA THR 23 HA THR 23 -21.971 -3.907 -7.160 911 HB THR 23 HB THR 23 -24.087 -3.369 -5.046 912 HG1 THR 23 HG1 THR 23 -25.321 -4.746 -6.132 913 1HG2 THR 23 1HG2 THR 23 -25.210 -2.349 -7.166 914 2HG2 THR 23 2HG2 THR 23 -23.571 -2.309 -7.819 915 3HG2 THR 23 3HG2 THR 23 -23.956 -1.417 -6.346 916 H HIS 24 HN HIS 24 -20.960 -1.864 -7.224 917 HA HIS 24 HA HIS 24 -20.449 -0.561 -4.573 918 1HB HIS 24 2HB HIS 24 -18.642 -1.636 -6.590 919 2HB HIS 24 1HB HIS 24 -18.294 0.054 -6.216 920 HD1 HIS 24 HD1 HIS 24 -17.151 -3.038 -5.132 921 HD2 HIS 24 HD2 HIS 24 -18.759 0.196 -3.054 922 HE1 HIS 24 HE1 HIS 24 -16.438 -3.309 -2.714 923 H VAL 25 HN VAL 25 -21.096 1.531 -4.518 924 HA VAL 25 HA VAL 25 -21.794 2.857 -7.096 925 HB VAL 25 HB VAL 25 -22.535 3.676 -4.297 926 1HG1 VAL 25 1HG1 VAL 25 -23.241 5.374 -5.699 927 2HG1 VAL 25 2HG1 VAL 25 -24.649 4.314 -5.776 928 3HG1 VAL 25 3HG1 VAL 25 -23.454 4.290 -7.073 929 1HG2 VAL 25 1HG2 VAL 25 -24.732 2.362 -5.058 930 2HG2 VAL 25 2HG2 VAL 25 -23.416 1.537 -4.221 931 3HG2 VAL 25 3HG2 VAL 25 -23.555 1.423 -5.975 932 H VAL 26 HN VAL 26 -20.685 4.588 -7.762 933 HA VAL 26 HA VAL 26 -18.733 5.867 -5.878 934 HB VAL 26 HB VAL 26 -17.457 6.305 -7.976 935 1HG1 VAL 26 1HG1 VAL 26 -18.050 3.437 -8.328 936 2HG1 VAL 26 2HG1 VAL 26 -17.725 3.905 -6.658 937 3HG1 VAL 26 3HG1 VAL 26 -16.528 4.228 -7.913 938 1HG2 VAL 26 1HG2 VAL 26 -19.454 4.560 -9.407 939 2HG2 VAL 26 2HG2 VAL 26 -18.252 5.650 -10.097 940 3HG2 VAL 26 3HG2 VAL 26 -19.694 6.304 -9.321 941 H GLU 27 HN GLU 27 -18.315 8.236 -6.505 942 HA GLU 27 HA GLU 27 -20.887 9.581 -7.172 943 1HB GLU 27 2HB GLU 27 -19.158 9.843 -5.109 944 2HB GLU 27 1HB GLU 27 -18.460 10.992 -6.240 945 1HG GLU 27 2HG GLU 27 -21.390 11.172 -5.983 946 2HG GLU 27 1HG GLU 27 -20.502 11.584 -4.518 947 H LEU 28 HN LEU 28 -21.012 10.121 -9.296 948 HA LEU 28 HA LEU 28 -18.670 10.276 -11.009 949 1HB LEU 28 2HB LEU 28 -21.203 9.545 -11.342 950 2HB LEU 28 1HB LEU 28 -21.410 11.244 -11.747 951 HG LEU 28 HG LEU 28 -19.808 11.088 -13.544 952 1HD1 LEU 28 1HD1 LEU 28 -18.056 9.696 -13.144 953 2HD1 LEU 28 2HD1 LEU 28 -19.090 8.436 -13.814 954 3HD1 LEU 28 3HD1 LEU 28 -19.005 8.671 -12.069 955 1HD2 LEU 28 1HD2 LEU 28 -21.463 10.220 -14.805 956 2HD2 LEU 28 2HD2 LEU 28 -22.157 9.450 -13.379 957 3HD2 LEU 28 3HD2 LEU 28 -20.947 8.601 -14.339 958 HA PRO 29 HA PRO 29 -17.956 14.591 -10.119 959 1HB PRO 29 2HB PRO 29 -16.047 14.956 -12.059 960 2HB PRO 29 1HB PRO 29 -15.718 14.253 -10.467 961 1HG PRO 29 2HG PRO 29 -16.078 12.911 -13.089 962 2HG PRO 29 1HG PRO 29 -15.010 12.495 -11.741 963 1HD PRO 29 2HD PRO 29 -17.332 11.180 -12.278 964 2HD PRO 29 1HD PRO 29 -16.633 11.309 -10.648 965 H ASP 30 HN ASP 30 -17.664 16.611 -11.708 966 HA ASP 30 HA ASP 30 -20.153 16.920 -13.047 967 1HB ASP 30 2HB ASP 30 -19.154 19.083 -13.735 968 2HB ASP 30 1HB ASP 30 -18.808 18.725 -12.042 969 H HIS 31 HN HIS 31 -16.889 16.285 -14.363 970 HA HIS 31 HA HIS 31 -17.922 16.484 -17.105 971 1HB HIS 31 2HB HIS 31 -15.569 16.264 -17.699 972 2HB HIS 31 1HB HIS 31 -15.723 17.391 -16.357 973 HD1 HIS 31 HD1 HIS 31 -16.255 14.538 -14.539 974 HD2 HIS 31 HD2 HIS 31 -12.873 15.898 -16.554 975 HE1 HIS 31 HE1 HIS 31 -14.270 13.369 -13.483 976 H MET 32 HN MET 32 -18.045 14.049 -14.881 977 HA MET 32 HA MET 32 -17.927 11.969 -17.043 978 1HB MET 32 2HB MET 32 -17.587 11.808 -14.035 979 2HB MET 32 1HB MET 32 -17.760 10.385 -15.062 980 1HG MET 32 2HG MET 32 -15.608 12.502 -15.338 981 2HG MET 32 1HG MET 32 -15.378 10.892 -14.657 982 1HE MET 32 1HE MET 32 -15.118 8.596 -16.317 983 2HE MET 32 2HE MET 32 -16.381 8.583 -17.544 984 3HE MET 32 3HE MET 32 -16.779 9.025 -15.888 985 H LEU 33 HN LEU 33 -19.904 13.776 -14.911 986 HA LEU 33 HA LEU 33 -22.149 11.950 -14.657 987 1HB LEU 33 2HB LEU 33 -21.636 14.904 -14.357 988 2HB LEU 33 1HB LEU 33 -23.281 14.279 -14.254 989 HG LEU 33 HG LEU 33 -21.063 13.048 -12.613 990 1HD1 LEU 33 1HD1 LEU 33 -22.779 15.455 -11.927 991 2HD1 LEU 33 2HD1 LEU 33 -21.022 15.426 -12.060 992 3HD1 LEU 33 3HD1 LEU 33 -21.822 14.548 -10.756 993 1HD2 LEU 33 1HD2 LEU 33 -23.339 11.963 -12.936 994 2HD2 LEU 33 2HD2 LEU 33 -24.032 13.348 -12.092 995 3HD2 LEU 33 3HD2 LEU 33 -22.897 12.285 -11.259 996 H ASP 34 HN ASP 34 -20.945 13.989 -17.194 997 HA ASP 34 HA ASP 34 -23.308 14.811 -18.457 998 1HB ASP 34 2HB ASP 34 -20.999 15.580 -18.924 999 2HB ASP 34 1HB ASP 34 -20.649 14.031 -19.690 1000 H GLY 35 HN GLY 35 -24.906 13.671 -19.391 1001 1HA GLY 35 2HA GLY 35 -26.041 11.942 -20.528 1002 2HA GLY 35 1HA GLY 35 -24.641 12.074 -21.589 1003 H LEU 36 HN LEU 36 -25.166 10.682 -18.310 1004 HA LEU 36 HA LEU 36 -23.927 8.159 -19.357 1005 1HB LEU 36 2HB LEU 36 -22.815 9.551 -17.491 1006 2HB LEU 36 1HB LEU 36 -24.143 9.006 -16.467 1007 HG LEU 36 HG LEU 36 -22.654 6.965 -18.074 1008 1HD1 LEU 36 1HD1 LEU 36 -20.707 7.233 -16.982 1009 2HD1 LEU 36 2HD1 LEU 36 -21.540 7.187 -15.427 1010 3HD1 LEU 36 3HD1 LEU 36 -21.342 8.720 -16.278 1011 1HD2 LEU 36 1HD2 LEU 36 -24.102 5.712 -16.879 1012 2HD2 LEU 36 2HD2 LEU 36 -24.558 7.090 -15.877 1013 3HD2 LEU 36 3HD2 LEU 36 -23.151 6.116 -15.450 1014 H GLU 37 HN GLU 37 -24.948 6.166 -18.630 1015 HA GLU 37 HA GLU 37 -27.617 6.396 -17.342 1016 1HB GLU 37 2HB GLU 37 -28.713 5.379 -19.249 1017 2HB GLU 37 1HB GLU 37 -27.781 6.753 -19.845 1018 1HG GLU 37 2HG GLU 37 -25.942 5.232 -20.479 1019 2HG GLU 37 1HG GLU 37 -26.875 3.857 -19.887 1020 H THR 38 HN THR 38 -28.525 4.137 -16.964 1021 HA THR 38 HA THR 38 -26.538 2.372 -15.826 1022 HB THR 38 HB THR 38 -28.864 0.935 -16.106 1023 HG1 THR 38 HG1 THR 38 -30.481 2.234 -16.423 1024 1HG2 THR 38 1HG2 THR 38 -28.932 1.174 -13.859 1025 2HG2 THR 38 2HG2 THR 38 -28.978 2.934 -13.962 1026 3HG2 THR 38 3HG2 THR 38 -27.438 2.084 -14.073 1027 H GLY 39 HN GLY 39 -26.014 0.196 -16.613 1028 1HA GLY 39 2HA GLY 39 -25.792 -1.507 -18.253 1029 2HA GLY 39 1HA GLY 39 -26.833 -0.575 -19.324 1030 H ALA 40 HN ALA 40 -24.791 1.713 -18.379 1031 HA ALA 40 HA ALA 40 -23.163 1.602 -20.802 1032 1HB ALA 40 1HB ALA 40 -23.504 3.370 -18.392 1033 2HB ALA 40 2HB ALA 40 -23.759 3.756 -20.096 1034 3HB ALA 40 3HB ALA 40 -22.119 3.623 -19.456 1035 H SER 41 HN SER 41 -20.746 1.554 -20.725 1036 HA SER 41 HA SER 41 -19.798 -0.243 -18.535 1037 1HB SER 41 2HB SER 41 -17.868 -0.304 -20.424 1038 2HB SER 41 1HB SER 41 -19.302 -1.318 -20.501 1039 HG SER 41 HG SER 41 -20.051 -0.140 -22.094 1040 H VAL 42 HN VAL 42 -18.613 0.729 -16.975 1041 HA VAL 42 HA VAL 42 -16.897 3.075 -17.728 1042 HB VAL 42 HB VAL 42 -18.539 2.343 -15.355 1043 1HG1 VAL 42 1HG1 VAL 42 -16.737 2.354 -13.969 1044 2HG1 VAL 42 2HG1 VAL 42 -16.896 4.103 -14.143 1045 3HG1 VAL 42 3HG1 VAL 42 -15.722 3.221 -15.122 1046 1HG2 VAL 42 1HG2 VAL 42 -19.351 4.394 -15.782 1047 2HG2 VAL 42 2HG2 VAL 42 -18.263 4.482 -17.169 1048 3HG2 VAL 42 3HG2 VAL 42 -17.742 5.092 -15.596 1049 H ALA 43 HN ALA 43 -14.712 2.728 -17.598 1050 HA ALA 43 HA ALA 43 -13.736 0.157 -16.460 1051 1HB ALA 43 1HB ALA 43 -12.647 0.499 -18.467 1052 2HB ALA 43 2HB ALA 43 -11.548 1.395 -17.418 1053 3HB ALA 43 3HB ALA 43 -12.772 2.255 -18.351 1054 H HIS 44 HN HIS 44 -13.157 0.210 -14.333 1055 HA HIS 44 HA HIS 44 -12.556 2.799 -13.018 1056 1HB HIS 44 2HB HIS 44 -13.237 -0.010 -12.243 1057 2HB HIS 44 1HB HIS 44 -12.332 0.957 -11.078 1058 HD1 HIS 44 HD1 HIS 44 -14.959 2.395 -13.425 1059 HD2 HIS 44 HD2 HIS 44 -14.486 1.525 -9.364 1060 HE1 HIS 44 HE1 HIS 44 -16.939 3.427 -12.227 1061 HE2 HIS 44 HE2 HIS 44 -16.659 2.902 -9.765 1062 H ASN 45 HN ASN 45 -10.542 3.446 -13.444 1063 HA ASN 45 HA ASN 45 -8.247 3.445 -13.860 1064 1HB ASN 45 2HB ASN 45 -8.609 2.215 -11.470 1065 2HB ASN 45 1HB ASN 45 -7.837 0.909 -12.373 1066 1HD2 ASN 45 1HD2 ASN 45 -7.296 4.033 -10.887 1067 2HD2 ASN 45 2HD2 ASN 45 -5.662 4.171 -11.297 1068 H GLY 46 HN GLY 46 -10.318 1.605 -15.321 1069 1HA GLY 46 2HA GLY 46 -9.644 1.003 -17.592 1070 2HA GLY 46 1HA GLY 46 -8.187 0.284 -16.920 1071 H CYS 47 HN CYS 47 -10.513 -0.688 -14.798 1072 HA CYS 47 HA CYS 47 -10.892 -3.272 -16.229 1073 1HB CYS 47 2HB CYS 47 -10.190 -3.041 -13.778 1074 2HB CYS 47 1HB CYS 47 -11.818 -2.448 -13.459 1075 HG CYS 47 HG CYS 47 -11.164 -5.335 -14.456 1076 H CYS 48 HN CYS 48 -12.601 -3.169 -17.666 1077 HA CYS 48 HA CYS 48 -14.689 -1.195 -17.375 1078 1HB CYS 48 2HB CYS 48 -15.525 -2.262 -19.452 1079 2HB CYS 48 1HB CYS 48 -13.782 -1.985 -19.526 1080 HG CYS 48 HG CYS 48 -13.731 -4.417 -20.076 1081 H LEU 49 HN LEU 49 -16.519 -1.383 -16.224 1082 HA LEU 49 HA LEU 49 -17.846 -4.039 -16.057 1083 1HB LEU 49 2HB LEU 49 -18.452 -3.279 -13.630 1084 2HB LEU 49 1HB LEU 49 -16.850 -3.953 -13.920 1085 HG LEU 49 HG LEU 49 -17.134 -1.016 -14.290 1086 1HD1 LEU 49 1HD1 LEU 49 -17.829 -0.545 -12.199 1087 2HD1 LEU 49 2HD1 LEU 49 -16.583 -1.591 -11.516 1088 3HD1 LEU 49 3HD1 LEU 49 -18.151 -2.264 -11.965 1089 1HD2 LEU 49 1HD2 LEU 49 -15.035 -2.673 -14.363 1090 2HD2 LEU 49 2HD2 LEU 49 -15.055 -2.387 -12.623 1091 3HD2 LEU 49 3HD2 LEU 49 -14.876 -1.032 -13.737 1092 H THR 50 HN THR 50 -20.222 -3.694 -15.467 1093 HA THR 50 HA THR 50 -21.095 -1.348 -17.054 1094 HB THR 50 HB THR 50 -22.421 -3.952 -16.235 1095 HG1 THR 50 HG1 THR 50 -21.272 -4.611 -17.847 1096 1HG2 THR 50 1HG2 THR 50 -24.181 -2.358 -16.565 1097 2HG2 THR 50 2HG2 THR 50 -24.071 -3.286 -18.060 1098 3HG2 THR 50 3HG2 THR 50 -23.379 -1.667 -17.975 1099 H VAL 51 HN VAL 51 -22.918 -0.080 -16.440 1100 HA VAL 51 HA VAL 51 -23.042 0.593 -13.619 1101 HB VAL 51 HB VAL 51 -24.880 1.442 -15.875 1102 1HG1 VAL 51 1HG1 VAL 51 -25.686 2.706 -14.192 1103 2HG1 VAL 51 2HG1 VAL 51 -24.190 3.626 -14.326 1104 3HG1 VAL 51 3HG1 VAL 51 -24.322 2.324 -13.144 1105 1HG2 VAL 51 1HG2 VAL 51 -23.046 2.161 -16.972 1106 2HG2 VAL 51 2HG2 VAL 51 -21.998 1.750 -15.616 1107 3HG2 VAL 51 3HG2 VAL 51 -22.816 3.313 -15.657 1108 H THR 52 HN THR 52 -24.169 -0.717 -12.226 1109 HA THR 52 HA THR 52 -26.430 -2.376 -13.057 1110 HB THR 52 HB THR 52 -26.394 -3.045 -10.750 1111 HG1 THR 52 HG1 THR 52 -24.886 -1.626 -9.397 1112 1HG2 THR 52 1HG2 THR 52 -24.352 -3.569 -12.165 1113 2HG2 THR 52 2HG2 THR 52 -24.096 -3.622 -10.421 1114 3HG2 THR 52 3HG2 THR 52 -23.549 -2.228 -11.351 1115 H GLU 53 HN GLU 53 -25.976 0.622 -11.176 1116 HA GLU 53 HA GLU 53 -28.675 1.524 -11.962 1117 1HB GLU 53 2HB GLU 53 -29.072 0.019 -10.046 1118 2HB GLU 53 1HB GLU 53 -27.918 0.939 -9.080 1119 1HG GLU 53 2HG GLU 53 -29.320 2.954 -9.315 1120 2HG GLU 53 1HG GLU 53 -30.479 2.036 -10.278 1121 H ILE 54 HN ILE 54 -28.925 3.786 -11.619 1122 HA ILE 54 HA ILE 54 -26.439 5.226 -10.738 1123 HB ILE 54 HB ILE 54 -28.749 5.973 -12.563 1124 1HG1 ILE 54 2HG1 ILE 54 -26.182 6.262 -13.749 1125 2HG1 ILE 54 1HG1 ILE 54 -26.206 4.688 -12.955 1126 1HG2 ILE 54 1HG2 ILE 54 -26.851 7.906 -12.899 1127 2HG2 ILE 54 2HG2 ILE 54 -26.693 7.582 -11.172 1128 3HG2 ILE 54 3HG2 ILE 54 -28.249 8.079 -11.838 1129 1HD1 ILE 54 1HD1 ILE 54 -27.275 3.966 -14.827 1130 2HD1 ILE 54 2HD1 ILE 54 -27.676 5.606 -15.333 1131 3HD1 ILE 54 3HD1 ILE 54 -28.690 4.774 -14.155 1132 H ASN 55 HN ASN 55 -26.559 6.452 -8.957 1133 HA ASN 55 HA ASN 55 -29.254 6.904 -7.718 1134 1HB ASN 55 2HB ASN 55 -26.434 6.593 -6.678 1135 2HB ASN 55 1HB ASN 55 -27.705 7.284 -5.669 1136 1HD2 ASN 55 1HD2 ASN 55 -26.427 4.314 -6.964 1137 2HD2 ASN 55 2HD2 ASN 55 -27.609 3.282 -6.315 1138 H GLY 56 HN GLY 56 -29.130 8.709 -9.537 1139 1HA GLY 56 2HA GLY 56 -29.084 11.062 -9.864 1140 2HA GLY 56 1HA GLY 56 -28.357 11.241 -8.264 1141 H ASN 57 HN ASN 57 -26.277 11.954 -8.346 1142 HA ASN 57 HA ASN 57 -24.709 11.730 -10.802 1143 1HB ASN 57 2HB ASN 57 -23.573 13.439 -9.834 1144 2HB ASN 57 1HB ASN 57 -24.830 13.407 -8.617 1145 1HD2 ASN 57 1HD2 ASN 57 -21.780 11.765 -9.387 1146 2HD2 ASN 57 2HD2 ASN 57 -21.239 11.612 -7.784 1147 H HIS 58 HN HIS 58 -25.253 9.831 -7.984 1148 HA HIS 58 HA HIS 58 -22.692 8.455 -7.933 1149 1HB HIS 58 2HB HIS 58 -25.408 8.153 -6.701 1150 2HB HIS 58 1HB HIS 58 -24.241 6.844 -6.544 1151 HD1 HIS 58 HD1 HIS 58 -25.310 9.397 -4.513 1152 HD2 HIS 58 HD2 HIS 58 -21.497 8.406 -5.887 1153 HE1 HIS 58 HE1 HIS 58 -23.666 10.439 -2.892 1154 H VAL 59 HN VAL 59 -22.446 6.145 -8.445 1155 HA VAL 59 HA VAL 59 -24.539 4.993 -10.199 1156 HB VAL 59 HB VAL 59 -21.646 5.479 -10.954 1157 1HG1 VAL 59 1HG1 VAL 59 -23.846 4.014 -12.425 1158 2HG1 VAL 59 2HG1 VAL 59 -22.420 3.264 -11.717 1159 3HG1 VAL 59 3HG1 VAL 59 -22.250 4.372 -13.080 1160 1HG2 VAL 59 1HG2 VAL 59 -23.109 6.541 -12.933 1161 2HG2 VAL 59 2HG2 VAL 59 -22.727 7.457 -11.474 1162 3HG2 VAL 59 3HG2 VAL 59 -24.300 6.673 -11.636 1163 H SER 60 HN SER 60 -24.912 3.030 -9.315 1164 HA SER 60 HA SER 60 -22.872 1.566 -7.765 1165 1HB SER 60 2HB SER 60 -25.658 0.803 -8.700 1166 2HB SER 60 1HB SER 60 -24.741 0.030 -7.410 1167 HG SER 60 HG SER 60 -25.921 1.454 -6.316 1168 H PHE 61 HN PHE 61 -21.444 0.138 -8.775 1169 HA PHE 61 HA PHE 61 -22.199 -0.833 -11.518 1170 1HB PHE 61 2HB PHE 61 -19.559 -0.397 -10.090 1171 2HB PHE 61 1HB PHE 61 -19.674 -1.239 -11.632 1172 HD1 PHE 61 HD1 PHE 61 -20.006 2.008 -9.922 1173 HD2 PHE 61 HD2 PHE 61 -20.308 -0.065 -13.677 1174 HE1 PHE 61 HE1 PHE 61 -20.028 4.181 -11.125 1175 HE2 PHE 61 HE2 PHE 61 -20.329 2.109 -14.873 1176 HZ PHE 61 HZ PHE 61 -20.189 4.230 -13.597 1177 H ASP 62 HN ASP 62 -21.771 -3.118 -11.989 1178 HA ASP 62 HA ASP 62 -22.221 -4.818 -9.619 1179 1HB ASP 62 2HB ASP 62 -22.539 -6.559 -11.448 1180 2HB ASP 62 1HB ASP 62 -23.623 -5.178 -11.551 1181 H LEU 63 HN LEU 63 -20.942 -6.531 -8.996 1182 HA LEU 63 HA LEU 63 -18.314 -6.993 -10.278 1183 1HB LEU 63 2HB LEU 63 -18.852 -5.074 -8.208 1184 2HB LEU 63 1HB LEU 63 -17.855 -6.355 -7.539 1185 HG LEU 63 HG LEU 63 -16.877 -5.687 -10.156 1186 1HD1 LEU 63 1HD1 LEU 63 -18.040 -3.476 -8.776 1187 2HD1 LEU 63 2HD1 LEU 63 -17.086 -3.449 -10.262 1188 3HD1 LEU 63 3HD1 LEU 63 -16.285 -3.289 -8.698 1189 1HD2 LEU 63 1HD2 LEU 63 -15.549 -4.942 -7.550 1190 2HD2 LEU 63 2HD2 LEU 63 -14.808 -5.568 -9.024 1191 3HD2 LEU 63 3HD2 LEU 63 -15.749 -6.638 -7.986 1192 H MET 64 HN MET 64 -18.703 -9.260 -10.306 1193 HA MET 64 HA MET 64 -20.026 -10.739 -8.256 1194 1HB MET 64 2HB MET 64 -19.465 -11.449 -10.614 1195 2HB MET 64 1HB MET 64 -17.793 -11.657 -10.096 1196 1HG MET 64 2HG MET 64 -18.617 -13.237 -8.317 1197 2HG MET 64 1HG MET 64 -20.220 -13.131 -9.044 1198 1HE MET 64 1HE MET 64 -19.833 -12.933 -12.038 1199 2HE MET 64 2HE MET 64 -20.941 -14.030 -11.221 1200 3HE MET 64 3HE MET 64 -19.894 -14.638 -12.500 1201 H LYS 65 HN LYS 65 -19.249 -11.649 -6.340 1202 HA LYS 65 HA LYS 65 -17.130 -10.390 -4.985 1203 1HB LYS 65 2HB LYS 65 -19.018 -11.587 -3.948 1204 2HB LYS 65 1HB LYS 65 -18.395 -13.118 -4.563 1205 1HG LYS 65 2HG LYS 65 -17.689 -12.928 -2.264 1206 2HG LYS 65 1HG LYS 65 -16.267 -12.669 -3.276 1207 1HD LYS 65 2HD LYS 65 -16.422 -10.274 -3.002 1208 2HD LYS 65 1HD LYS 65 -17.978 -10.421 -2.182 1209 1HE LYS 65 2HE LYS 65 -15.502 -11.778 -1.089 1210 2HE LYS 65 1HE LYS 65 -15.911 -10.102 -0.667 1211 1HZ LYS 65 1HZ LYS 65 -17.494 -12.557 -0.200 1212 2HZ LYS 65 2HZ LYS 65 -18.237 -11.028 -0.241 1213 3HZ LYS 65 3HZ LYS 65 -17.041 -11.364 0.918 1214 H GLU 66 HN GLU 66 -17.152 -13.575 -6.624 1215 HA GLU 66 HA GLU 66 -14.384 -14.170 -6.001 1216 1HB GLU 66 2HB GLU 66 -16.099 -15.855 -6.580 1217 2HB GLU 66 1HB GLU 66 -16.255 -15.148 -8.188 1218 1HG GLU 66 2HG GLU 66 -13.887 -15.664 -8.650 1219 2HG GLU 66 1HG GLU 66 -13.729 -16.376 -7.043 1220 H THR 67 HN THR 67 -16.035 -12.678 -8.785 1221 HA THR 67 HA THR 67 -13.695 -12.269 -10.417 1222 HB THR 67 HB THR 67 -16.240 -10.642 -10.097 1223 HG1 THR 67 HG1 THR 67 -15.537 -12.766 -11.843 1224 1HG2 THR 67 1HG2 THR 67 -14.112 -10.741 -12.242 1225 2HG2 THR 67 2HG2 THR 67 -14.628 -9.341 -11.302 1226 3HG2 THR 67 3HG2 THR 67 -15.710 -10.041 -12.507 1227 H LEU 68 HN LEU 68 -15.194 -10.443 -7.768 1228 HA LEU 68 HA LEU 68 -13.606 -8.088 -7.868 1229 1HB LEU 68 2HB LEU 68 -15.679 -8.446 -6.574 1230 2HB LEU 68 1HB LEU 68 -14.852 -9.631 -5.568 1231 HG LEU 68 HG LEU 68 -13.151 -7.635 -5.187 1232 1HD1 LEU 68 1HD1 LEU 68 -15.703 -6.342 -6.139 1233 2HD1 LEU 68 2HD1 LEU 68 -14.041 -5.955 -6.584 1234 3HD1 LEU 68 3HD1 LEU 68 -14.651 -5.521 -4.987 1235 1HD2 LEU 68 1HD2 LEU 68 -15.716 -7.259 -3.728 1236 2HD2 LEU 68 2HD2 LEU 68 -14.089 -7.505 -3.095 1237 3HD2 LEU 68 3HD2 LEU 68 -15.019 -8.878 -3.699 1238 H ARG 69 HN ARG 69 -13.141 -11.160 -6.106 1239 HA ARG 69 HA ARG 69 -10.594 -10.429 -4.934 1240 1HB ARG 69 2HB ARG 69 -12.128 -12.160 -4.074 1241 2HB ARG 69 1HB ARG 69 -11.893 -13.103 -5.545 1242 1HG ARG 69 2HG ARG 69 -9.490 -13.304 -5.044 1243 2HG ARG 69 1HG ARG 69 -9.716 -12.355 -3.573 1244 1HD ARG 69 2HD ARG 69 -11.268 -14.061 -2.694 1245 2HD ARG 69 1HD ARG 69 -11.041 -15.025 -4.166 1246 HE ARG 69 HE ARG 69 -9.073 -14.690 -2.013 1247 1HH1 ARG 69 1HH1 ARG 69 -9.664 -15.417 -5.343 1248 2HH1 ARG 69 2HH1 ARG 69 -8.203 -16.324 -5.532 1249 1HH2 ARG 69 1HH2 ARG 69 -7.166 -15.863 -2.259 1250 2HH2 ARG 69 2HH2 ARG 69 -6.790 -16.575 -3.793 1251 H ILE 70 HN ILE 70 -11.550 -12.181 -7.892 1252 HA ILE 70 HA ILE 70 -8.957 -13.090 -8.627 1253 HB ILE 70 HB ILE 70 -11.564 -13.347 -9.422 1254 1HG1 ILE 70 2HG1 ILE 70 -9.202 -14.150 -11.124 1255 2HG1 ILE 70 1HG1 ILE 70 -9.606 -14.937 -9.599 1256 1HG2 ILE 70 1HG2 ILE 70 -11.774 -12.712 -11.749 1257 2HG2 ILE 70 2HG2 ILE 70 -10.135 -12.059 -11.754 1258 3HG2 ILE 70 3HG2 ILE 70 -11.393 -11.277 -10.802 1259 1HD1 ILE 70 1HD1 ILE 70 -11.042 -15.023 -12.213 1260 2HD1 ILE 70 2HD1 ILE 70 -12.019 -15.067 -10.746 1261 3HD1 ILE 70 3HD1 ILE 70 -10.793 -16.303 -11.025 1262 H THR 71 HN THR 71 -10.760 -10.155 -9.427 1263 HA THR 71 HA THR 71 -8.506 -9.023 -10.955 1264 HB THR 71 HB THR 71 -10.064 -7.175 -11.281 1265 HG1 THR 71 HG1 THR 71 -11.528 -8.470 -9.233 1266 1HG2 THR 71 1HG2 THR 71 -11.701 -8.295 -12.491 1267 2HG2 THR 71 2HG2 THR 71 -11.874 -9.562 -11.277 1268 3HG2 THR 71 3HG2 THR 71 -10.464 -9.543 -12.334 1269 H ASN 72 HN ASN 72 -8.272 -6.506 -10.169 1270 HA ASN 72 HA ASN 72 -7.591 -6.589 -7.267 1271 1HB ASN 72 2HB ASN 72 -5.683 -5.992 -8.480 1272 2HB ASN 72 1HB ASN 72 -6.611 -5.167 -9.725 1273 1HD2 ASN 72 1HD2 ASN 72 -5.635 -3.099 -9.615 1274 2HD2 ASN 72 2HD2 ASN 72 -5.643 -2.133 -8.218 1275 H LEU 73 HN LEU 73 -10.295 -6.192 -8.748 1276 HA LEU 73 HA LEU 73 -11.082 -3.430 -8.245 1277 1HB LEU 73 2HB LEU 73 -12.548 -6.054 -8.626 1278 2HB LEU 73 1HB LEU 73 -13.378 -4.507 -8.456 1279 HG LEU 73 HG LEU 73 -11.375 -5.248 -10.619 1280 1HD1 LEU 73 1HD1 LEU 73 -13.556 -6.211 -11.033 1281 2HD1 LEU 73 2HD1 LEU 73 -13.379 -4.805 -12.081 1282 3HD1 LEU 73 3HD1 LEU 73 -14.355 -4.695 -10.618 1283 1HD2 LEU 73 1HD2 LEU 73 -12.736 -2.646 -9.881 1284 2HD2 LEU 73 2HD2 LEU 73 -12.123 -2.951 -11.506 1285 3HD2 LEU 73 3HD2 LEU 73 -11.015 -2.940 -10.134 1286 H GLY 74 HN GLY 74 -11.289 -6.482 -6.402 1287 1HA GLY 74 2HA GLY 74 -12.916 -5.725 -4.303 1288 2HA GLY 74 1HA GLY 74 -11.548 -6.813 -4.096 1289 H ASP 75 HN ASP 75 -9.749 -4.523 -5.040 1290 HA ASP 75 HA ASP 75 -8.897 -3.719 -2.444 1291 1HB ASP 75 2HB ASP 75 -7.283 -2.419 -3.694 1292 2HB ASP 75 1HB ASP 75 -7.596 -3.896 -4.605 1293 H LEU 76 HN LEU 76 -11.344 -2.415 -4.496 1294 HA LEU 76 HA LEU 76 -11.221 0.348 -3.905 1295 1HB LEU 76 2HB LEU 76 -13.573 -1.487 -4.392 1296 2HB LEU 76 1HB LEU 76 -13.656 0.268 -4.474 1297 HG LEU 76 HG LEU 76 -11.749 -1.395 -6.137 1298 1HD1 LEU 76 1HD1 LEU 76 -13.726 -1.986 -7.161 1299 2HD1 LEU 76 2HD1 LEU 76 -13.492 -0.418 -7.934 1300 3HD1 LEU 76 3HD1 LEU 76 -14.583 -0.569 -6.557 1301 1HD2 LEU 76 1HD2 LEU 76 -10.939 0.589 -6.875 1302 2HD2 LEU 76 2HD2 LEU 76 -11.747 1.304 -5.478 1303 3HD2 LEU 76 3HD2 LEU 76 -12.557 1.272 -7.045 1304 H LYS 77 HN LYS 77 -11.968 1.579 -2.246 1305 HA LYS 77 HA LYS 77 -13.583 0.328 -0.077 1306 1HB LYS 77 2HB LYS 77 -10.973 1.858 0.231 1307 2HB LYS 77 1HB LYS 77 -12.046 1.471 1.577 1308 1HG LYS 77 2HG LYS 77 -11.818 -0.935 1.072 1309 2HG LYS 77 1HG LYS 77 -10.742 -0.550 -0.271 1310 1HD LYS 77 2HD LYS 77 -9.158 0.513 1.296 1311 2HD LYS 77 1HD LYS 77 -10.230 0.125 2.641 1312 1HE LYS 77 2HE LYS 77 -9.913 -2.244 2.324 1313 2HE LYS 77 1HE LYS 77 -9.068 -1.979 0.786 1314 1HZ LYS 77 1HZ LYS 77 -8.178 -0.954 3.431 1315 2HZ LYS 77 2HZ LYS 77 -7.373 -0.730 1.952 1316 3HZ LYS 77 3HZ LYS 77 -7.502 -2.284 2.626 1317 H VAL 78 HN VAL 78 -15.126 1.787 0.707 1318 HA VAL 78 HA VAL 78 -15.796 4.047 -0.859 1319 HB VAL 78 HB VAL 78 -16.511 3.543 2.044 1320 1HG1 VAL 78 1HG1 VAL 78 -17.234 5.588 0.313 1321 2HG1 VAL 78 2HG1 VAL 78 -18.144 5.085 1.740 1322 3HG1 VAL 78 3HG1 VAL 78 -18.570 4.437 0.154 1323 1HG2 VAL 78 1HG2 VAL 78 -18.378 2.529 0.085 1324 2HG2 VAL 78 2HG2 VAL 78 -17.597 1.678 1.418 1325 3HG2 VAL 78 3HG2 VAL 78 -16.789 1.801 -0.145 1326 H GLY 79 HN GLY 79 -15.648 6.286 -0.405 1327 1HA GLY 79 2HA GLY 79 -14.755 8.226 0.682 1328 2HA GLY 79 1HA GLY 79 -13.813 7.170 1.739 1329 H ASP 80 HN ASP 80 -13.201 5.644 -0.923 1330 HA ASP 80 HA ASP 80 -10.809 7.276 -1.630 1331 1HB ASP 80 2HB ASP 80 -10.796 4.785 -1.004 1332 2HB ASP 80 1HB ASP 80 -11.572 4.499 -2.560 1333 H TRP 81 HN TRP 81 -10.316 7.408 -4.022 1334 HA TRP 81 HA TRP 81 -12.852 7.642 -5.607 1335 1HB TRP 81 2HB TRP 81 -10.255 9.193 -5.617 1336 2HB TRP 81 1HB TRP 81 -11.425 9.318 -6.925 1337 HD1 TRP 81 HD1 TRP 81 -11.882 9.246 -3.076 1338 HE1 TRP 81 HE1 TRP 81 -13.380 11.226 -2.416 1339 HE3 TRP 81 HE3 TRP 81 -12.566 11.397 -7.659 1340 HZ2 TRP 81 HZ2 TRP 81 -14.692 13.443 -3.657 1341 HZ3 TRP 81 HZ3 TRP 81 -13.944 13.447 -7.891 1342 HH2 TRP 81 HH2 TRP 81 -15.008 14.469 -5.894 1343 H VAL 82 HN VAL 82 -12.678 7.062 -7.868 1344 HA VAL 82 HA VAL 82 -10.483 5.100 -8.445 1345 HB VAL 82 HB VAL 82 -12.498 3.882 -8.187 1346 1HG1 VAL 82 1HG1 VAL 82 -14.285 5.308 -7.976 1347 2HG1 VAL 82 2HG1 VAL 82 -14.532 4.876 -9.669 1348 3HG1 VAL 82 3HG1 VAL 82 -13.704 6.377 -9.254 1349 1HG2 VAL 82 1HG2 VAL 82 -11.319 3.902 -10.611 1350 2HG2 VAL 82 2HG2 VAL 82 -12.940 4.434 -11.072 1351 3HG2 VAL 82 3HG2 VAL 82 -12.718 2.891 -10.243 1352 H ASN 83 HN ASN 83 -9.667 5.113 -10.570 1353 HA ASN 83 HA ASN 83 -10.035 7.531 -12.206 1354 1HB ASN 83 2HB ASN 83 -8.281 5.211 -11.958 1355 2HB ASN 83 1HB ASN 83 -8.688 5.528 -13.630 1356 1HD2 ASN 83 1HD2 ASN 83 -8.936 8.439 -13.391 1357 2HD2 ASN 83 2HD2 ASN 83 -7.383 9.051 -13.095 1358 H VAL 84 HN VAL 84 -12.125 7.568 -13.106 1359 HA VAL 84 HA VAL 84 -13.123 5.004 -14.262 1360 HB VAL 84 HB VAL 84 -15.293 6.558 -14.347 1361 1HG1 VAL 84 1HG1 VAL 84 -14.340 5.514 -11.684 1362 2HG1 VAL 84 2HG1 VAL 84 -14.708 4.429 -13.028 1363 3HG1 VAL 84 3HG1 VAL 84 -15.967 5.473 -12.368 1364 1HG2 VAL 84 1HG2 VAL 84 -13.684 7.727 -12.053 1365 2HG2 VAL 84 2HG2 VAL 84 -15.355 8.112 -12.462 1366 3HG2 VAL 84 3HG2 VAL 84 -14.051 8.579 -13.553 1367 H GLU 85 HN GLU 85 -13.567 4.773 -16.367 1368 HA GLU 85 HA GLU 85 -13.256 7.155 -18.174 1369 1HB GLU 85 2HB GLU 85 -11.222 5.752 -18.116 1370 2HB GLU 85 1HB GLU 85 -12.187 4.331 -18.517 1371 1HG GLU 85 2HG GLU 85 -12.852 5.380 -20.649 1372 2HG GLU 85 1HG GLU 85 -11.884 6.800 -20.252 1373 H ARG 86 HN ARG 86 -14.682 7.167 -19.956 1374 HA ARG 86 HA ARG 86 -17.092 5.550 -19.655 1375 1HB ARG 86 2HB ARG 86 -17.914 7.038 -21.394 1376 2HB ARG 86 1HB ARG 86 -16.948 7.987 -20.264 1377 1HG ARG 86 2HG ARG 86 -14.979 7.697 -21.786 1378 2HG ARG 86 1HG ARG 86 -16.044 6.901 -22.945 1379 1HD ARG 86 2HD ARG 86 -17.488 8.987 -22.921 1380 2HD ARG 86 1HD ARG 86 -16.205 9.773 -21.978 1381 HE ARG 86 HE ARG 86 -15.183 8.421 -24.348 1382 1HH1 ARG 86 1HH1 ARG 86 -16.635 11.288 -23.077 1383 2HH1 ARG 86 2HH1 ARG 86 -16.003 12.312 -24.320 1384 1HH2 ARG 86 1HH2 ARG 86 -14.356 9.747 -25.971 1385 2HH2 ARG 86 2HH2 ARG 86 -14.714 11.441 -25.957 1386 H ALA 87 HN ALA 87 -17.646 3.748 -20.825 1387 HA ALA 87 HA ALA 87 -16.141 3.135 -23.352 1388 1HB ALA 87 1HB ALA 87 -17.025 0.954 -21.512 1389 2HB ALA 87 2HB ALA 87 -15.584 1.874 -21.076 1390 3HB ALA 87 3HB ALA 87 -15.648 1.005 -22.610 1391 H ALA 88 HN ALA 88 -17.418 2.208 -24.957 1392 HA ALA 88 HA ALA 88 -20.349 1.910 -24.362 1393 1HB ALA 88 1HB ALA 88 -20.816 3.348 -26.148 1394 2HB ALA 88 2HB ALA 88 -19.271 3.016 -26.936 1395 3HB ALA 88 3HB ALA 88 -19.330 4.057 -25.515 1396 H LYS 89 HN LYS 89 -21.184 0.019 -25.127 1397 HA LYS 89 HA LYS 89 -19.615 -2.040 -26.292 1398 1HB LYS 89 2HB LYS 89 -22.585 -1.460 -26.162 1399 2HB LYS 89 1HB LYS 89 -21.935 -3.002 -26.723 1400 1HG LYS 89 2HG LYS 89 -21.253 -3.633 -24.629 1401 2HG LYS 89 1HG LYS 89 -20.858 -1.982 -24.148 1402 1HD LYS 89 2HD LYS 89 -23.156 -1.448 -23.755 1403 2HD LYS 89 1HD LYS 89 -23.702 -2.942 -24.520 1404 1HE LYS 89 2HE LYS 89 -22.616 -4.261 -22.722 1405 2HE LYS 89 1HE LYS 89 -22.099 -2.753 -21.943 1406 1HZ LYS 89 1HZ LYS 89 -24.778 -3.884 -22.196 1407 2HZ LYS 89 2HZ LYS 89 -24.645 -2.197 -22.347 1408 3HZ LYS 89 3HZ LYS 89 -24.105 -2.972 -20.935 1409 H PHE 90 HN PHE 90 -21.800 0.340 -27.811 1410 HA PHE 90 HA PHE 90 -20.449 -0.114 -30.412 1411 1HB PHE 90 2HB PHE 90 -22.564 -0.670 -31.508 1412 2HB PHE 90 1HB PHE 90 -22.288 -1.788 -30.172 1413 HD1 PHE 90 HD1 PHE 90 -23.608 -1.666 -28.117 1414 HD2 PHE 90 HD2 PHE 90 -24.281 1.072 -31.364 1415 HE1 PHE 90 HE1 PHE 90 -25.759 -0.973 -27.088 1416 HE2 PHE 90 HE2 PHE 90 -26.431 1.765 -30.334 1417 HZ PHE 90 HZ PHE 90 -27.169 0.742 -28.196 1418 H SER 91 HN SER 91 -21.046 1.567 -31.990 1419 HA SER 91 HA SER 91 -22.444 3.937 -30.804 1420 1HB SER 91 2HB SER 91 -20.658 5.334 -31.792 1421 2HB SER 91 1HB SER 91 -19.983 4.168 -30.659 1422 HG SER 91 HG SER 91 -18.801 3.579 -32.291 1423 H ASP 92 HN ASP 92 -23.601 5.194 -32.361 1424 HA ASP 92 HA ASP 92 -24.568 3.768 -34.676 1425 1HB ASP 92 2HB ASP 92 -25.807 5.437 -33.274 1426 2HB ASP 92 1HB ASP 92 -24.778 6.705 -33.941 1427 H GLU 93 HN GLU 93 -22.446 6.637 -34.322 1428 HA GLU 93 HA GLU 93 -21.118 5.953 -36.873 1429 1HB GLU 93 2HB GLU 93 -22.769 8.448 -36.381 1430 2HB GLU 93 1HB GLU 93 -21.603 8.321 -37.696 1431 1HG GLU 93 2HG GLU 93 -23.982 6.486 -37.269 1432 2HG GLU 93 1HG GLU 93 -23.871 7.760 -38.482 1433 H ILE 94 HN ILE 94 -20.020 5.908 -34.338 1434 HA ILE 94 HA ILE 94 -18.519 8.453 -33.985 1435 HB ILE 94 HB ILE 94 -18.656 5.861 -32.414 1436 1HG1 ILE 94 2HG1 ILE 94 -20.742 7.122 -32.337 1437 2HG1 ILE 94 1HG1 ILE 94 -19.906 7.311 -30.795 1438 1HG2 ILE 94 1HG2 ILE 94 -17.196 6.764 -30.853 1439 2HG2 ILE 94 2HG2 ILE 94 -17.558 8.426 -31.321 1440 3HG2 ILE 94 3HG2 ILE 94 -16.520 7.429 -32.340 1441 1HD1 ILE 94 1HD1 ILE 94 -18.859 9.386 -32.260 1442 2HD1 ILE 94 2HD1 ILE 94 -20.207 9.536 -31.134 1443 3HD1 ILE 94 3HD1 ILE 94 -20.517 9.323 -32.856 1444 H GLY 95 HN GLY 95 -18.022 5.058 -34.879 1445 1HA GLY 95 2HA GLY 95 -16.222 4.300 -36.306 1446 2HA GLY 95 1HA GLY 95 -15.340 5.782 -35.929 1447 H GLY 96 HN GLY 96 -14.010 5.826 -34.108 1448 1HA GLY 96 2HA GLY 96 -13.551 3.196 -32.810 1449 2HA GLY 96 1HA GLY 96 -12.450 4.573 -32.754 1450 H HIS 97 HN HIS 97 -13.891 6.625 -31.820 1451 HA HIS 97 HA HIS 97 -15.726 6.033 -29.678 1452 1HB HIS 97 2HB HIS 97 -14.171 6.181 -27.805 1453 2HB HIS 97 1HB HIS 97 -13.609 4.917 -28.901 1454 HD1 HIS 97 HD1 HIS 97 -11.899 6.032 -30.883 1455 HD2 HIS 97 HD2 HIS 97 -12.101 7.876 -27.150 1456 HE1 HIS 97 HE1 HIS 97 -9.808 7.444 -30.667 1457 HN3 RBF 98 HN3 RBF 98 4.098 6.659 -13.478 1458 HC6 RBF 98 HC6 RBF 98 3.134 4.886 -20.129 1459 1HC7 RBF 98 1HC7 RBF 98 2.750 5.973 -23.232 1460 2HC7 RBF 98 2HC7 RBF 98 1.069 5.443 -23.005 1461 3HC7 RBF 98 3HC7 RBF 98 2.402 4.487 -22.320 1462 1HC8 RBF 98 1HC8 RBF 98 1.239 8.768 -22.973 1463 2HC8 RBF 98 2HC8 RBF 98 -0.352 8.481 -22.235 1464 3HC8 RBF 98 3HC8 RBF 98 0.433 7.198 -23.181 1465 HC9 RBF 98 HC9 RBF 98 0.663 9.195 -20.037 1466 1HC1 RBF 98 1HC1 RBF 98 1.261 10.362 -18.540 1467 2HC1 RBF 98 2HC1 RBF 98 1.369 10.344 -16.769 1468 HC2* RBF 98 HC2* RBF 98 -0.702 8.995 -16.645 1469 HO2* RBF 98 HO2* RBF 98 -1.038 7.860 -18.434 1470 HC3* RBF 98 HC3* RBF 98 -1.474 11.161 -18.552 1471 HO3* RBF 98 HO3* RBF 98 -0.463 11.964 -16.040 1472 HC4* RBF 98 HC4* RBF 98 -2.164 10.678 -15.629 1473 HO4* RBF 98 HO4* RBF 98 -4.098 9.680 -16.680 1474 1HC5 RBF 98 1HC5 RBF 98 -4.177 11.981 -16.213 1475 2HC5 RBF 98 2HC5 RBF 98 -2.706 12.916 -16.555 1476 HO5* RBF 98 HO5* RBF 98 -2.921 12.387 -18.763 1477 HN3 RBF 99 HN3 RBF 99 -18.582 -6.521 -12.502 1478 HC6 RBF 99 HC6 RBF 99 -17.841 -5.355 -19.313 1479 1HC7 RBF 99 1HC7 RBF 99 -17.543 -6.717 -22.316 1480 2HC7 RBF 99 2HC7 RBF 99 -15.861 -6.158 -22.192 1481 3HC7 RBF 99 3HC7 RBF 99 -17.181 -5.153 -21.555 1482 1HC8 RBF 99 1HC8 RBF 99 -15.998 -9.466 -21.852 1483 2HC8 RBF 99 2HC8 RBF 99 -14.389 -9.103 -21.194 1484 3HC8 RBF 99 3HC8 RBF 99 -15.214 -7.917 -22.228 1485 HC9 RBF 99 HC9 RBF 99 -15.328 -9.619 -18.910 1486 1HC1 RBF 99 1HC1 RBF 99 -15.868 -10.649 -17.294 1487 2HC1 RBF 99 2HC1 RBF 99 -15.921 -10.471 -15.530 1488 HC2* RBF 99 HC2* RBF 99 -13.864 -9.102 -15.592 1489 HO2* RBF 99 HO2* RBF 99 -13.590 -8.134 -17.489 1490 HC3* RBF 99 HC3* RBF 99 -13.126 -11.428 -17.320 1491 HO3* RBF 99 HO3* RBF 99 -14.052 -12.006 -14.715 1492 HC4* RBF 99 HC4* RBF 99 -12.351 -10.675 -14.477 1493 HO4* RBF 99 HO4* RBF 99 -10.460 -9.766 -15.675 1494 1HC5 RBF 99 1HC5 RBF 99 -10.344 -12.013 -15.004 1495 2HC5 RBF 99 2HC5 RBF 99 -11.817 -12.985 -15.212 1496 HO5* RBF 99 HO5* RBF 99 -11.675 -12.658 -17.464 Start of MODEL 18 1 1H MET 1 1HT MET 1 -15.433 -1.273 -29.413 2 2H MET 1 2HT MET 1 -13.935 -0.936 -30.143 3 3H MET 1 3HT MET 1 -14.331 -0.238 -28.646 4 HA MET 1 HA MET 1 -14.590 -2.961 -28.244 5 1HB MET 1 2HB MET 1 -12.213 -2.144 -29.942 6 2HB MET 1 1HB MET 1 -12.270 -3.653 -29.031 7 1HG MET 1 2HG MET 1 -14.316 -4.312 -30.246 8 2HG MET 1 1HG MET 1 -14.258 -2.804 -31.159 9 1HE MET 1 1HE MET 1 -14.760 -4.772 -32.584 10 2HE MET 1 2HE MET 1 -13.707 -6.166 -32.807 11 3HE MET 1 3HE MET 1 -13.607 -4.809 -33.925 12 H PHE 2 HN PHE 2 -13.766 -3.268 -26.172 13 HA PHE 2 HA PHE 2 -11.356 -2.010 -25.245 14 1HB PHE 2 2HB PHE 2 -12.334 -0.447 -23.665 15 2HB PHE 2 1HB PHE 2 -12.979 -0.079 -25.261 16 HD1 PHE 2 HD1 PHE 2 -13.750 -2.161 -22.225 17 HD2 PHE 2 HD2 PHE 2 -15.308 0.122 -25.523 18 HE1 PHE 2 HE1 PHE 2 -16.052 -2.482 -21.363 19 HE2 PHE 2 HE2 PHE 2 -17.607 -0.214 -24.664 20 HZ PHE 2 HZ PHE 2 -17.980 -1.512 -22.584 21 H THR 3 HN THR 3 -10.849 -2.786 -23.069 22 HA THR 3 HA THR 3 -12.831 -4.484 -21.725 23 HB THR 3 HB THR 3 -11.306 -6.459 -21.881 24 HG1 THR 3 HG1 THR 3 -9.384 -5.265 -22.209 25 1HG2 THR 3 1HG2 THR 3 -13.132 -5.981 -23.578 26 2HG2 THR 3 2HG2 THR 3 -11.832 -7.027 -24.147 27 3HG2 THR 3 3HG2 THR 3 -11.878 -5.332 -24.636 28 H GLY 4 HN GLY 4 -9.468 -3.373 -21.973 29 1HA GLY 4 2HA GLY 4 -7.900 -2.841 -20.318 30 2HA GLY 4 1HA GLY 4 -9.278 -2.206 -19.418 31 H ILE 5 HN ILE 5 -9.395 -5.532 -20.371 32 HA ILE 5 HA ILE 5 -9.532 -6.315 -17.548 33 HB ILE 5 HB ILE 5 -9.587 -7.964 -20.100 34 1HG1 ILE 5 2HG1 ILE 5 -11.858 -6.726 -18.509 35 2HG1 ILE 5 1HG1 ILE 5 -11.272 -6.129 -20.059 36 1HG2 ILE 5 1HG2 ILE 5 -10.680 -8.502 -17.320 37 2HG2 ILE 5 2HG2 ILE 5 -9.251 -9.267 -18.016 38 3HG2 ILE 5 3HG2 ILE 5 -10.842 -9.566 -18.717 39 1HD1 ILE 5 1HD1 ILE 5 -13.175 -8.199 -19.586 40 2HD1 ILE 5 2HD1 ILE 5 -11.747 -8.939 -20.308 41 3HD1 ILE 5 3HD1 ILE 5 -12.570 -7.617 -21.136 42 H VAL 6 HN VAL 6 -7.889 -7.147 -16.360 43 HA VAL 6 HA VAL 6 -5.222 -7.081 -17.519 44 HB VAL 6 HB VAL 6 -6.552 -7.155 -14.861 45 1HG1 VAL 6 1HG1 VAL 6 -4.308 -7.514 -13.746 46 2HG1 VAL 6 2HG1 VAL 6 -3.704 -8.097 -15.296 47 3HG1 VAL 6 3HG1 VAL 6 -5.000 -8.963 -14.473 48 1HG2 VAL 6 1HG2 VAL 6 -5.872 -5.019 -15.099 49 2HG2 VAL 6 2HG2 VAL 6 -4.876 -5.438 -16.493 50 3HG2 VAL 6 3HG2 VAL 6 -4.222 -5.596 -14.865 51 H GLN 7 HN GLN 7 -3.821 -8.751 -17.844 52 HA GLN 7 HA GLN 7 -4.808 -11.455 -18.135 53 1HB GLN 7 2HB GLN 7 -2.084 -10.131 -18.186 54 2HB GLN 7 1HB GLN 7 -2.327 -11.837 -18.564 55 1HG GLN 7 2HG GLN 7 -3.786 -9.585 -19.970 56 2HG GLN 7 1HG GLN 7 -2.310 -10.328 -20.586 57 1HE2 GLN 7 1HE2 GLN 7 -2.658 -13.015 -20.192 58 2HE2 GLN 7 2HE2 GLN 7 -4.056 -13.575 -20.975 59 H GLY 8 HN GLY 8 -2.862 -9.758 -15.641 60 1HA GLY 8 2HA GLY 8 -3.299 -12.060 -13.816 61 2HA GLY 8 1HA GLY 8 -1.630 -11.732 -14.278 62 H THR 9 HN THR 9 -2.250 -11.560 -11.617 63 HA THR 9 HA THR 9 -2.709 -8.659 -11.070 64 HB THR 9 HB THR 9 -2.921 -9.857 -8.674 65 HG1 THR 9 HG1 THR 9 -2.427 -11.900 -9.285 66 1HG2 THR 9 1HG2 THR 9 -4.746 -9.238 -10.876 67 2HG2 THR 9 2HG2 THR 9 -4.926 -8.926 -9.150 68 3HG2 THR 9 3HG2 THR 9 -5.371 -10.498 -9.813 69 H ALA 10 HN ALA 10 -1.512 -7.900 -9.040 70 HA ALA 10 HA ALA 10 1.273 -8.987 -8.830 71 1HB ALA 10 1HB ALA 10 1.913 -7.217 -10.102 72 2HB ALA 10 2HB ALA 10 1.458 -6.199 -8.736 73 3HB ALA 10 3HB ALA 10 0.299 -6.500 -10.035 74 H LYS 11 HN LYS 11 2.192 -8.599 -6.768 75 HA LYS 11 HA LYS 11 0.247 -7.626 -4.705 76 1HB LYS 11 2HB LYS 11 1.080 -9.930 -4.507 77 2HB LYS 11 1HB LYS 11 2.736 -9.336 -4.531 78 1HG LYS 11 2HG LYS 11 2.368 -8.081 -2.471 79 2HG LYS 11 1HG LYS 11 0.672 -8.565 -2.454 80 1HD LYS 11 2HD LYS 11 1.145 -10.610 -1.607 81 2HD LYS 11 1HD LYS 11 2.538 -10.826 -2.670 82 1HE LYS 11 2HE LYS 11 3.722 -9.083 -1.151 83 2HE LYS 11 1HE LYS 11 2.424 -9.432 0.009 84 1HZ LYS 11 1HZ LYS 11 2.928 -11.753 -0.094 85 2HZ LYS 11 2HZ LYS 11 4.376 -10.927 0.236 86 3HZ LYS 11 3HZ LYS 11 4.067 -11.515 -1.328 87 H LEU 12 HN LEU 12 0.662 -5.540 -4.090 88 HA LEU 12 HA LEU 12 3.140 -4.122 -4.436 89 1HB LEU 12 2HB LEU 12 0.670 -3.379 -3.867 90 2HB LEU 12 1HB LEU 12 1.168 -3.655 -2.213 91 HG LEU 12 HG LEU 12 2.960 -2.041 -2.413 92 1HD1 LEU 12 1HD1 LEU 12 3.814 -2.311 -4.587 93 2HD1 LEU 12 2HD1 LEU 12 3.016 -0.741 -4.680 94 3HD1 LEU 12 3HD1 LEU 12 2.219 -2.176 -5.330 95 1HD2 LEU 12 1HD2 LEU 12 0.187 -1.408 -2.850 96 2HD2 LEU 12 2HD2 LEU 12 1.182 -0.246 -3.727 97 3HD2 LEU 12 3HD2 LEU 12 1.404 -0.463 -1.991 98 H VAL 13 HN VAL 13 4.982 -4.389 -3.286 99 HA VAL 13 HA VAL 13 4.796 -5.783 -0.642 100 HB VAL 13 HB VAL 13 5.652 -7.348 -2.176 101 1HG1 VAL 13 1HG1 VAL 13 6.673 -4.983 -3.544 102 2HG1 VAL 13 2HG1 VAL 13 6.255 -6.568 -4.199 103 3HG1 VAL 13 3HG1 VAL 13 7.847 -6.297 -3.486 104 1HG2 VAL 13 1HG2 VAL 13 7.755 -7.826 -1.298 105 2HG2 VAL 13 2HG2 VAL 13 7.135 -6.690 -0.100 106 3HG2 VAL 13 3HG2 VAL 13 8.260 -6.136 -1.340 107 H SER 14 HN SER 14 6.386 -3.361 -2.629 108 HA SER 14 HA SER 14 7.449 -2.118 -0.118 109 1HB SER 14 2HB SER 14 8.944 -3.771 -1.707 110 2HB SER 14 1HB SER 14 9.321 -2.194 -2.392 111 HG SER 14 HG SER 14 10.262 -3.272 -0.175 112 H ILE 15 HN ILE 15 7.558 0.126 -0.229 113 HA ILE 15 HA ILE 15 6.861 1.401 -2.860 114 HB ILE 15 HB ILE 15 6.643 2.580 -0.079 115 1HG1 ILE 15 2HG1 ILE 15 4.636 1.037 -1.735 116 2HG1 ILE 15 1HG1 ILE 15 5.244 0.641 -0.130 117 1HG2 ILE 15 1HG2 ILE 15 5.635 3.335 -2.828 118 2HG2 ILE 15 2HG2 ILE 15 6.622 4.296 -1.726 119 3HG2 ILE 15 3HG2 ILE 15 4.919 4.001 -1.360 120 1HD1 ILE 15 1HD1 ILE 15 3.077 1.618 0.199 121 2HD1 ILE 15 2HD1 ILE 15 3.444 2.946 -0.898 122 3HD1 ILE 15 3HD1 ILE 15 4.254 2.847 0.664 123 H ASP 16 HN ASP 16 8.389 2.722 -3.736 124 HA ASP 16 HA ASP 16 10.787 3.411 -2.092 125 1HB ASP 16 2HB ASP 16 10.278 2.888 -5.015 126 2HB ASP 16 1HB ASP 16 11.729 3.747 -4.493 127 H GLU 17 HN GLU 17 10.612 5.508 -1.373 128 HA GLU 17 HA GLU 17 9.057 7.459 -2.996 129 1HB GLU 17 2HB GLU 17 8.528 7.100 -0.614 130 2HB GLU 17 1HB GLU 17 10.183 7.525 -0.177 131 1HG GLU 17 2HG GLU 17 9.863 9.776 -1.136 132 2HG GLU 17 1HG GLU 17 8.205 9.355 -1.570 133 H LYS 18 HN LYS 18 10.307 8.585 -4.460 134 HA LYS 18 HA LYS 18 13.038 9.477 -3.605 135 1HB LYS 18 2HB LYS 18 11.899 9.620 -6.396 136 2HB LYS 18 1HB LYS 18 13.587 9.514 -5.905 137 1HG LYS 18 2HG LYS 18 12.367 7.209 -4.853 138 2HG LYS 18 1HG LYS 18 11.722 7.376 -6.487 139 1HD LYS 18 2HD LYS 18 13.752 6.106 -6.680 140 2HD LYS 18 1HD LYS 18 14.112 7.728 -7.273 141 1HE LYS 18 2HE LYS 18 15.929 7.289 -5.826 142 2HE LYS 18 1HE LYS 18 14.816 8.192 -4.779 143 1HZ LYS 18 1HZ LYS 18 15.702 5.913 -3.979 144 2HZ LYS 18 2HZ LYS 18 14.549 5.271 -5.049 145 3HZ LYS 18 3HZ LYS 18 14.059 6.277 -3.770 146 HA PRO 19 HA PRO 19 11.292 13.481 -2.934 147 1HB PRO 19 2HB PRO 19 13.648 14.862 -3.661 148 2HB PRO 19 1HB PRO 19 13.204 14.333 -2.028 149 1HG PRO 19 2HG PRO 19 15.032 13.075 -3.990 150 2HG PRO 19 1HG PRO 19 15.098 13.080 -2.221 151 1HD PRO 19 2HD PRO 19 14.340 10.905 -3.610 152 2HD PRO 19 1HD PRO 19 13.629 11.305 -2.027 153 H ASN 20 HN ASN 20 12.889 12.481 -5.884 154 HA ASN 20 HA ASN 20 11.860 14.761 -7.458 155 1HB ASN 20 2HB ASN 20 13.081 12.177 -8.450 156 2HB ASN 20 1HB ASN 20 13.132 13.766 -9.212 157 1HD2 ASN 20 1HD2 ASN 20 14.753 11.664 -6.996 158 2HD2 ASN 20 2HD2 ASN 20 15.943 12.760 -6.489 159 H PHE 21 HN PHE 21 11.140 11.330 -6.917 160 HA PHE 21 HA PHE 21 8.452 11.665 -8.112 161 1HB PHE 21 2HB PHE 21 10.579 9.798 -9.216 162 2HB PHE 21 1HB PHE 21 8.907 9.873 -9.769 163 HD1 PHE 21 HD1 PHE 21 8.036 11.971 -10.842 164 HD2 PHE 21 HD2 PHE 21 12.197 11.418 -9.914 165 HE1 PHE 21 HE1 PHE 21 8.626 13.834 -12.374 166 HE2 PHE 21 HE2 PHE 21 12.787 13.281 -11.444 167 HZ PHE 21 HZ PHE 21 11.002 14.489 -12.674 168 H ARG 22 HN ARG 22 7.027 9.939 -7.466 169 HA ARG 22 HA ARG 22 8.003 8.294 -5.212 170 1HB ARG 22 2HB ARG 22 5.809 9.508 -5.190 171 2HB ARG 22 1HB ARG 22 5.269 8.464 -6.502 172 1HG ARG 22 2HG ARG 22 5.477 6.496 -5.132 173 2HG ARG 22 1HG ARG 22 6.275 7.410 -3.852 174 1HD ARG 22 2HD ARG 22 4.228 8.701 -3.448 175 2HD ARG 22 1HD ARG 22 3.416 7.861 -4.785 176 HE ARG 22 HE ARG 22 4.323 5.776 -3.253 177 1HH1 ARG 22 1HH1 ARG 22 2.576 8.677 -2.563 178 2HH1 ARG 22 2HH1 ARG 22 1.711 7.989 -1.232 179 1HH2 ARG 22 1HH2 ARG 22 3.200 4.873 -1.518 180 2HH2 ARG 22 2HH2 ARG 22 2.062 5.840 -0.639 181 H THR 23 HN THR 23 8.151 6.068 -5.296 182 HA THR 23 HA THR 23 7.860 4.773 -7.981 183 HB THR 23 HB THR 23 10.045 4.493 -5.891 184 HG1 THR 23 HG1 THR 23 11.273 5.517 -7.597 185 1HG2 THR 23 1HG2 THR 23 11.100 2.964 -7.319 186 2HG2 THR 23 2HG2 THR 23 10.164 3.480 -8.721 187 3HG2 THR 23 3HG2 THR 23 9.403 2.507 -7.463 188 H HIS 24 HN HIS 24 6.947 2.685 -7.900 189 HA HIS 24 HA HIS 24 6.459 1.558 -5.169 190 1HB HIS 24 2HB HIS 24 4.664 2.509 -7.252 191 2HB HIS 24 1HB HIS 24 4.310 0.848 -6.773 192 HD1 HIS 24 HD1 HIS 24 3.160 3.997 -5.898 193 HD2 HIS 24 HD2 HIS 24 4.785 0.927 -3.596 194 HE1 HIS 24 HE1 HIS 24 2.463 4.442 -3.501 195 H VAL 25 HN VAL 25 6.679 -0.674 -4.991 196 HA VAL 25 HA VAL 25 7.414 -2.142 -7.495 197 HB VAL 25 HB VAL 25 8.351 -2.665 -4.672 198 1HG1 VAL 25 1HG1 VAL 25 9.501 -4.382 -5.563 199 2HG1 VAL 25 2HG1 VAL 25 10.129 -3.367 -6.860 200 3HG1 VAL 25 3HG1 VAL 25 8.556 -4.146 -7.033 201 1HG2 VAL 25 1HG2 VAL 25 9.825 -0.964 -4.821 202 2HG2 VAL 25 2HG2 VAL 25 8.966 -0.422 -6.263 203 3HG2 VAL 25 3HG2 VAL 25 10.351 -1.503 -6.416 204 H VAL 26 HN VAL 26 6.316 -3.998 -7.886 205 HA VAL 26 HA VAL 26 4.497 -5.060 -5.747 206 HB VAL 26 HB VAL 26 3.050 -5.718 -7.625 207 1HG1 VAL 26 1HG1 VAL 26 2.197 -3.645 -7.413 208 2HG1 VAL 26 2HG1 VAL 26 3.327 -3.094 -8.649 209 3HG1 VAL 26 3HG1 VAL 26 3.778 -3.016 -6.947 210 1HG2 VAL 26 1HG2 VAL 26 4.337 -4.276 -9.752 211 2HG2 VAL 26 2HG2 VAL 26 3.905 -5.986 -9.690 212 3HG2 VAL 26 3HG2 VAL 26 5.475 -5.450 -9.089 213 H GLU 27 HN GLU 27 4.004 -7.475 -6.190 214 HA GLU 27 HA GLU 27 6.539 -8.913 -6.833 215 1HB GLU 27 2HB GLU 27 5.037 -8.887 -4.594 216 2HB GLU 27 1HB GLU 27 4.173 -10.123 -5.503 217 1HG GLU 27 2HG GLU 27 6.055 -11.541 -5.608 218 2HG GLU 27 1HG GLU 27 7.164 -10.238 -5.181 219 H LEU 28 HN LEU 28 6.472 -9.761 -8.873 220 HA LEU 28 HA LEU 28 3.900 -9.998 -10.241 221 1HB LEU 28 2HB LEU 28 6.317 -9.113 -10.928 222 2HB LEU 28 1HB LEU 28 6.523 -10.790 -11.425 223 HG LEU 28 HG LEU 28 4.529 -10.651 -12.838 224 1HD1 LEU 28 1HD1 LEU 28 3.035 -9.194 -11.791 225 2HD1 LEU 28 2HD1 LEU 28 3.643 -8.175 -13.096 226 3HD1 LEU 28 3HD1 LEU 28 4.283 -7.992 -11.463 227 1HD2 LEU 28 1HD2 LEU 28 6.579 -8.452 -13.152 228 2HD2 LEU 28 2HD2 LEU 28 5.328 -8.733 -14.363 229 3HD2 LEU 28 3HD2 LEU 28 6.501 -9.998 -13.997 230 HA PRO 29 HA PRO 29 3.533 -14.344 -9.412 231 1HB PRO 29 2HB PRO 29 1.541 -14.832 -11.233 232 2HB PRO 29 1HB PRO 29 1.263 -14.123 -9.633 233 1HG PRO 29 2HG PRO 29 1.420 -12.798 -12.287 234 2HG PRO 29 1HG PRO 29 0.386 -12.430 -10.898 235 1HD PRO 29 2HD PRO 29 2.596 -10.985 -11.541 236 2HD PRO 29 1HD PRO 29 1.983 -11.147 -9.880 237 H ASP 30 HN ASP 30 3.373 -16.394 -10.896 238 HA ASP 30 HA ASP 30 5.759 -16.574 -12.383 239 1HB ASP 30 2HB ASP 30 3.230 -18.235 -12.301 240 2HB ASP 30 1HB ASP 30 4.697 -18.767 -13.122 241 H HIS 31 HN HIS 31 2.413 -16.115 -13.583 242 HA HIS 31 HA HIS 31 3.371 -16.286 -16.355 243 1HB HIS 31 2HB HIS 31 0.990 -16.187 -16.879 244 2HB HIS 31 1HB HIS 31 1.246 -17.300 -15.541 245 HD1 HIS 31 HD1 HIS 31 1.669 -14.409 -13.747 246 HD2 HIS 31 HD2 HIS 31 -1.688 -15.980 -15.648 247 HE1 HIS 31 HE1 HIS 31 -0.347 -13.342 -12.644 248 H MET 32 HN MET 32 3.402 -13.844 -14.136 249 HA MET 32 HA MET 32 3.199 -11.769 -16.295 250 1HB MET 32 2HB MET 32 2.960 -11.587 -13.276 251 2HB MET 32 1HB MET 32 2.999 -10.184 -14.345 252 1HG MET 32 2HG MET 32 0.959 -12.423 -14.457 253 2HG MET 32 1HG MET 32 0.675 -10.811 -13.803 254 1HE MET 32 1HE MET 32 0.332 -8.441 -16.334 255 2HE MET 32 2HE MET 32 2.069 -8.720 -16.273 256 3HE MET 32 3HE MET 32 1.112 -8.848 -14.799 257 H LEU 33 HN LEU 33 5.228 -13.510 -14.140 258 HA LEU 33 HA LEU 33 7.481 -11.664 -14.044 259 1HB LEU 33 2HB LEU 33 6.965 -14.594 -13.535 260 2HB LEU 33 1HB LEU 33 8.608 -13.956 -13.490 261 HG LEU 33 HG LEU 33 6.362 -12.697 -11.899 262 1HD1 LEU 33 1HD1 LEU 33 6.506 -14.988 -11.127 263 2HD1 LEU 33 2HD1 LEU 33 7.342 -13.970 -9.956 264 3HD1 LEU 33 3HD1 LEU 33 8.268 -14.922 -11.117 265 1HD2 LEU 33 1HD2 LEU 33 9.349 -12.720 -11.433 266 2HD2 LEU 33 2HD2 LEU 33 8.150 -11.650 -10.706 267 3HD2 LEU 33 3HD2 LEU 33 8.554 -11.490 -12.416 268 H ASP 34 HN ASP 34 6.215 -13.997 -16.299 269 HA ASP 34 HA ASP 34 8.635 -14.635 -17.680 270 1HB ASP 34 2HB ASP 34 7.075 -15.640 -19.274 271 2HB ASP 34 1HB ASP 34 6.487 -15.909 -17.632 272 H GLY 35 HN GLY 35 9.136 -14.049 -19.937 273 1HA GLY 35 2HA GLY 35 9.758 -12.301 -21.430 274 2HA GLY 35 1HA GLY 35 8.012 -12.301 -21.648 275 H LEU 36 HN LEU 36 9.440 -11.246 -18.582 276 HA LEU 36 HA LEU 36 8.390 -8.524 -19.154 277 1HB LEU 36 2HB LEU 36 7.598 -9.739 -17.178 278 2HB LEU 36 1HB LEU 36 9.256 -9.931 -16.616 279 HG LEU 36 HG LEU 36 9.515 -7.484 -16.489 280 1HD1 LEU 36 1HD1 LEU 36 8.112 -6.121 -17.599 281 2HD1 LEU 36 2HD1 LEU 36 6.760 -6.703 -16.624 282 3HD1 LEU 36 3HD1 LEU 36 7.183 -7.527 -18.125 283 1HD2 LEU 36 1HD2 LEU 36 7.932 -9.125 -14.824 284 2HD2 LEU 36 2HD2 LEU 36 7.069 -7.591 -14.955 285 3HD2 LEU 36 3HD2 LEU 36 8.737 -7.620 -14.383 286 H GLU 37 HN GLU 37 9.705 -6.679 -18.528 287 HA GLU 37 HA GLU 37 12.536 -7.055 -17.871 288 1HB GLU 37 2HB GLU 37 13.370 -6.143 -19.960 289 2HB GLU 37 1HB GLU 37 12.288 -7.478 -20.359 290 1HG GLU 37 2HG GLU 37 10.447 -5.880 -20.739 291 2HG GLU 37 1HG GLU 37 11.527 -4.542 -20.345 292 H THR 38 HN THR 38 13.564 -4.901 -17.489 293 HA THR 38 HA THR 38 11.769 -2.944 -16.335 294 HB THR 38 HB THR 38 14.205 -1.721 -16.809 295 HG1 THR 38 HG1 THR 38 15.445 -3.274 -17.468 296 1HG2 THR 38 1HG2 THR 38 12.969 -3.281 -14.608 297 2HG2 THR 38 2HG2 THR 38 13.522 -1.608 -14.630 298 3HG2 THR 38 3HG2 THR 38 14.689 -2.920 -14.467 299 H GLY 39 HN GLY 39 11.365 -0.776 -17.198 300 1HA GLY 39 2HA GLY 39 11.150 0.839 -18.930 301 2HA GLY 39 1HA GLY 39 12.057 -0.225 -20.002 302 H ALA 40 HN ALA 40 9.986 -2.334 -18.754 303 HA ALA 40 HA ALA 40 8.215 -2.375 -21.046 304 1HB ALA 40 1HB ALA 40 8.599 -4.459 -20.086 305 2HB ALA 40 2HB ALA 40 7.074 -4.046 -19.303 306 3HB ALA 40 3HB ALA 40 8.598 -3.812 -18.445 307 H SER 41 HN SER 41 5.889 -1.919 -21.010 308 HA SER 41 HA SER 41 5.162 0.136 -18.974 309 1HB SER 41 2HB SER 41 3.129 0.052 -20.778 310 2HB SER 41 1HB SER 41 4.579 1.023 -20.997 311 HG SER 41 HG SER 41 4.663 -0.145 -22.770 312 H VAL 42 HN VAL 42 4.393 -0.940 -17.165 313 HA VAL 42 HA VAL 42 2.516 -3.214 -17.457 314 HB VAL 42 HB VAL 42 4.136 -1.911 -15.315 315 1HG1 VAL 42 1HG1 VAL 42 2.824 -2.794 -13.497 316 2HG1 VAL 42 2HG1 VAL 42 1.635 -3.449 -14.626 317 3HG1 VAL 42 3HG1 VAL 42 1.827 -1.703 -14.458 318 1HG2 VAL 42 1HG2 VAL 42 5.069 -3.957 -15.375 319 2HG2 VAL 42 2HG2 VAL 42 3.899 -4.435 -16.608 320 3HG2 VAL 42 3HG2 VAL 42 3.524 -4.666 -14.899 321 H ALA 43 HN ALA 43 0.315 -2.955 -17.206 322 HA ALA 43 HA ALA 43 -0.685 -0.221 -16.516 323 1HB ALA 43 1HB ALA 43 -1.998 -0.633 -18.316 324 2HB ALA 43 2HB ALA 43 -2.804 -1.869 -17.350 325 3HB ALA 43 3HB ALA 43 -1.452 -2.308 -18.396 326 H HIS 44 HN HIS 44 -1.297 -0.064 -14.411 327 HA HIS 44 HA HIS 44 -1.932 -2.492 -12.831 328 1HB HIS 44 2HB HIS 44 -1.299 0.391 -12.372 329 2HB HIS 44 1HB HIS 44 -2.302 -0.404 -11.159 330 HD1 HIS 44 HD1 HIS 44 0.656 -1.865 -13.110 331 HD2 HIS 44 HD2 HIS 44 -0.485 -1.022 -9.182 332 HE1 HIS 44 HE1 HIS 44 2.481 -2.787 -11.614 333 HE2 HIS 44 HE2 HIS 44 1.788 -2.279 -9.232 334 H ASN 45 HN ASN 45 -3.928 -3.192 -13.477 335 HA ASN 45 HA ASN 45 -6.235 -3.233 -13.858 336 1HB ASN 45 2HB ASN 45 -5.894 -1.841 -11.584 337 2HB ASN 45 1HB ASN 45 -6.590 -0.567 -12.589 338 1HD2 ASN 45 1HD2 ASN 45 -7.301 -3.509 -10.871 339 2HD2 ASN 45 2HD2 ASN 45 -8.929 -3.627 -11.318 340 H GLY 46 HN GLY 46 -4.140 -1.238 -15.358 341 1HA GLY 46 2HA GLY 46 -4.883 -0.819 -17.716 342 2HA GLY 46 1HA GLY 46 -6.306 -0.043 -17.027 343 H CYS 47 HN CYS 47 -3.871 0.875 -14.980 344 HA CYS 47 HA CYS 47 -3.478 3.434 -16.448 345 1HB CYS 47 2HB CYS 47 -4.109 3.258 -13.984 346 2HB CYS 47 1HB CYS 47 -2.496 2.608 -13.694 347 HG CYS 47 HG CYS 47 -2.961 5.468 -14.879 348 H CYS 48 HN CYS 48 -1.871 3.217 -17.972 349 HA CYS 48 HA CYS 48 0.180 1.206 -17.739 350 1HB CYS 48 2HB CYS 48 0.912 2.230 -19.904 351 2HB CYS 48 1HB CYS 48 -0.817 1.885 -19.858 352 HG CYS 48 HG CYS 48 0.426 4.662 -20.051 353 H LEU 49 HN LEU 49 2.104 1.386 -16.740 354 HA LEU 49 HA LEU 49 3.506 3.998 -16.700 355 1HB LEU 49 2HB LEU 49 4.042 3.438 -14.233 356 2HB LEU 49 1HB LEU 49 2.408 4.001 -14.586 357 HG LEU 49 HG LEU 49 2.709 1.096 -14.864 358 1HD1 LEU 49 1HD1 LEU 49 3.782 2.470 -12.511 359 2HD1 LEU 49 2HD1 LEU 49 3.949 0.781 -12.996 360 3HD1 LEU 49 3HD1 LEU 49 2.519 1.305 -12.103 361 1HD2 LEU 49 1HD2 LEU 49 0.877 2.429 -12.912 362 2HD2 LEU 49 2HD2 LEU 49 0.540 1.120 -14.043 363 3HD2 LEU 49 3HD2 LEU 49 0.633 2.783 -14.622 364 H THR 50 HN THR 50 5.855 3.688 -16.273 365 HA THR 50 HA THR 50 6.694 1.177 -17.588 366 HB THR 50 HB THR 50 8.234 3.718 -16.988 367 HG1 THR 50 HG1 THR 50 6.130 3.418 -18.514 368 1HG2 THR 50 1HG2 THR 50 8.992 2.471 -19.422 369 2HG2 THR 50 2HG2 THR 50 8.925 1.204 -18.199 370 3HG2 THR 50 3HG2 THR 50 9.945 2.620 -17.946 371 H VAL 51 HN VAL 51 8.366 -0.156 -16.829 372 HA VAL 51 HA VAL 51 8.634 -0.415 -13.945 373 HB VAL 51 HB VAL 51 10.207 -1.742 -16.178 374 1HG1 VAL 51 1HG1 VAL 51 11.155 -2.765 -14.412 375 2HG1 VAL 51 2HG1 VAL 51 9.611 -3.588 -14.205 376 3HG1 VAL 51 3HG1 VAL 51 9.955 -2.118 -13.293 377 1HG2 VAL 51 1HG2 VAL 51 7.966 -2.049 -16.829 378 2HG2 VAL 51 2HG2 VAL 51 7.407 -2.208 -15.164 379 3HG2 VAL 51 3HG2 VAL 51 8.342 -3.505 -15.911 380 H THR 52 HN THR 52 9.977 0.951 -12.818 381 HA THR 52 HA THR 52 12.281 2.310 -13.962 382 HB THR 52 HB THR 52 12.602 3.013 -11.643 383 HG1 THR 52 HG1 THR 52 11.097 2.020 -10.091 384 1HG2 THR 52 1HG2 THR 52 10.267 3.802 -11.134 385 2HG2 THR 52 2HG2 THR 52 9.697 2.791 -12.462 386 3HG2 THR 52 3HG2 THR 52 10.797 4.132 -12.783 387 H GLU 53 HN GLU 53 11.762 -0.586 -11.949 388 HA GLU 53 HA GLU 53 14.322 -1.722 -12.857 389 1HB GLU 53 2HB GLU 53 14.998 -0.112 -11.117 390 2HB GLU 53 1HB GLU 53 13.880 -0.867 -9.980 391 1HG GLU 53 2HG GLU 53 15.113 -2.995 -10.172 392 2HG GLU 53 1HG GLU 53 16.234 -2.243 -11.309 393 H ILE 54 HN ILE 54 14.500 -3.974 -12.230 394 HA ILE 54 HA ILE 54 11.954 -5.150 -11.142 395 HB ILE 54 HB ILE 54 14.244 -6.336 -12.763 396 1HG1 ILE 54 2HG1 ILE 54 11.544 -6.261 -13.904 397 2HG1 ILE 54 1HG1 ILE 54 12.211 -4.659 -13.603 398 1HG2 ILE 54 1HG2 ILE 54 11.608 -7.684 -12.537 399 2HG2 ILE 54 2HG2 ILE 54 12.612 -7.705 -11.088 400 3HG2 ILE 54 3HG2 ILE 54 13.228 -8.381 -12.597 401 1HD1 ILE 54 1HD1 ILE 54 13.455 -4.862 -15.476 402 2HD1 ILE 54 2HD1 ILE 54 12.877 -6.513 -15.705 403 3HD1 ILE 54 3HD1 ILE 54 14.307 -6.209 -14.719 404 H ASN 55 HN ASN 55 12.054 -6.047 -9.171 405 HA ASN 55 HA ASN 55 14.709 -6.370 -7.851 406 1HB ASN 55 2HB ASN 55 11.880 -5.844 -7.024 407 2HB ASN 55 1HB ASN 55 12.946 -6.641 -5.865 408 1HD2 ASN 55 1HD2 ASN 55 12.548 -3.667 -7.800 409 2HD2 ASN 55 2HD2 ASN 55 13.616 -2.726 -6.873 410 H GLY 56 HN GLY 56 14.574 -8.373 -9.524 411 1HA GLY 56 2HA GLY 56 14.620 -10.751 -9.559 412 2HA GLY 56 1HA GLY 56 13.938 -10.761 -7.929 413 H ASN 57 HN ASN 57 11.836 -11.411 -7.805 414 HA ASN 57 HA ASN 57 10.207 -11.586 -10.235 415 1HB ASN 57 2HB ASN 57 9.083 -13.118 -8.988 416 2HB ASN 57 1HB ASN 57 10.368 -12.911 -7.821 417 1HD2 ASN 57 1HD2 ASN 57 7.323 -11.363 -8.768 418 2HD2 ASN 57 2HD2 ASN 57 6.828 -10.946 -7.200 419 H HIS 58 HN HIS 58 10.816 -9.332 -7.695 420 HA HIS 58 HA HIS 58 8.272 -7.947 -7.749 421 1HB HIS 58 2HB HIS 58 11.051 -7.479 -6.719 422 2HB HIS 58 1HB HIS 58 9.883 -6.162 -6.678 423 HD1 HIS 58 HD1 HIS 58 11.114 -8.338 -4.359 424 HD2 HIS 58 HD2 HIS 58 7.198 -7.691 -5.644 425 HE1 HIS 58 HE1 HIS 58 9.599 -9.162 -2.507 426 H VAL 59 HN VAL 59 7.993 -5.739 -8.576 427 HA VAL 59 HA VAL 59 10.059 -4.833 -10.496 428 HB VAL 59 HB VAL 59 7.132 -5.315 -11.079 429 1HG1 VAL 59 1HG1 VAL 59 7.334 -3.329 -12.213 430 2HG1 VAL 59 2HG1 VAL 59 8.115 -4.370 -13.405 431 3HG1 VAL 59 3HG1 VAL 59 9.096 -3.431 -12.278 432 1HG2 VAL 59 1HG2 VAL 59 9.685 -6.609 -11.665 433 2HG2 VAL 59 2HG2 VAL 59 8.776 -6.240 -13.133 434 3HG2 VAL 59 3HG2 VAL 59 8.046 -7.232 -11.870 435 H SER 60 HN SER 60 10.531 -2.776 -9.914 436 HA SER 60 HA SER 60 8.598 -1.114 -8.411 437 1HB SER 60 2HB SER 60 11.241 -1.420 -8.188 438 2HB SER 60 1HB SER 60 11.236 -0.154 -9.412 439 HG SER 60 HG SER 60 11.186 0.440 -7.056 440 H PHE 61 HN PHE 61 7.424 0.478 -9.422 441 HA PHE 61 HA PHE 61 8.194 1.232 -12.218 442 1HB PHE 61 2HB PHE 61 5.572 1.513 -12.389 443 2HB PHE 61 1HB PHE 61 6.293 -0.086 -12.550 444 HD1 PHE 61 HD1 PHE 61 3.999 1.963 -10.665 445 HD2 PHE 61 HD2 PHE 61 6.473 -1.548 -10.456 446 HE1 PHE 61 HE1 PHE 61 2.686 1.151 -8.721 447 HE2 PHE 61 HE2 PHE 61 5.162 -2.356 -8.513 448 HZ PHE 61 HZ PHE 61 3.268 -1.008 -7.645 449 H ASP 62 HN ASP 62 7.671 3.427 -12.806 450 HA ASP 62 HA ASP 62 8.036 5.194 -10.490 451 1HB ASP 62 2HB ASP 62 8.616 6.823 -12.203 452 2HB ASP 62 1HB ASP 62 9.335 5.276 -12.643 453 H LEU 63 HN LEU 63 6.768 6.907 -9.897 454 HA LEU 63 HA LEU 63 4.125 7.331 -11.170 455 1HB LEU 63 2HB LEU 63 4.704 5.578 -8.972 456 2HB LEU 63 1HB LEU 63 3.759 6.930 -8.369 457 HG LEU 63 HG LEU 63 2.656 6.088 -10.879 458 1HD1 LEU 63 1HD1 LEU 63 3.903 3.960 -9.554 459 2HD1 LEU 63 2HD1 LEU 63 2.661 3.830 -10.804 460 3HD1 LEU 63 3HD1 LEU 63 2.201 3.824 -9.101 461 1HD2 LEU 63 1HD2 LEU 63 1.730 7.132 -8.566 462 2HD2 LEU 63 2HD2 LEU 63 1.317 5.441 -8.291 463 3HD2 LEU 63 3HD2 LEU 63 0.676 6.286 -9.698 464 H MET 64 HN MET 64 4.165 9.591 -11.279 465 HA MET 64 HA MET 64 5.762 11.201 -9.474 466 1HB MET 64 2HB MET 64 5.048 11.730 -11.848 467 2HB MET 64 1HB MET 64 3.432 12.038 -11.222 468 1HG MET 64 2HG MET 64 4.349 13.764 -9.706 469 2HG MET 64 1HG MET 64 5.958 13.474 -10.367 470 1HE MET 64 1HE MET 64 6.588 14.749 -13.191 471 2HE MET 64 2HE MET 64 5.380 13.790 -14.041 472 3HE MET 64 3HE MET 64 6.255 13.088 -12.682 473 H LYS 65 HN LYS 65 5.106 12.279 -7.592 474 HA LYS 65 HA LYS 65 3.054 11.157 -6.023 475 1HB LYS 65 2HB LYS 65 5.016 12.404 -5.195 476 2HB LYS 65 1HB LYS 65 4.362 13.893 -5.878 477 1HG LYS 65 2HG LYS 65 3.859 13.741 -3.468 478 2HG LYS 65 1HG LYS 65 2.378 13.692 -4.425 479 1HD LYS 65 2HD LYS 65 2.212 11.301 -4.193 480 2HD LYS 65 1HD LYS 65 3.817 11.208 -3.464 481 1HE LYS 65 2HE LYS 65 3.089 12.063 -1.421 482 2HE LYS 65 1HE LYS 65 1.730 12.935 -2.156 483 1HZ LYS 65 1HZ LYS 65 1.488 10.191 -2.746 484 2HZ LYS 65 2HZ LYS 65 0.438 11.174 -1.844 485 3HZ LYS 65 3HZ LYS 65 1.713 10.359 -1.074 486 H GLU 66 HN GLU 66 3.035 14.307 -7.751 487 HA GLU 66 HA GLU 66 0.302 14.943 -7.089 488 1HB GLU 66 2HB GLU 66 2.010 16.567 -7.841 489 2HB GLU 66 1HB GLU 66 2.079 15.771 -9.414 490 1HG GLU 66 2HG GLU 66 -0.267 16.323 -9.834 491 2HG GLU 66 1HG GLU 66 -0.407 17.042 -8.229 492 H THR 67 HN THR 67 1.791 13.259 -9.869 493 HA THR 67 HA THR 67 -0.653 12.835 -11.349 494 HB THR 67 HB THR 67 1.846 11.126 -11.144 495 HG1 THR 67 HG1 THR 67 1.334 13.031 -13.141 496 1HG2 THR 67 1HG2 THR 67 0.964 10.977 -13.718 497 2HG2 THR 67 2HG2 THR 67 -0.564 11.104 -12.848 498 3HG2 THR 67 3HG2 THR 67 0.561 9.800 -12.469 499 H LEU 68 HN LEU 68 0.969 11.070 -8.737 500 HA LEU 68 HA LEU 68 -0.685 8.756 -8.645 501 1HB LEU 68 2HB LEU 68 1.484 9.097 -7.496 502 2HB LEU 68 1HB LEU 68 0.756 10.344 -6.490 503 HG LEU 68 HG LEU 68 -0.948 8.502 -5.816 504 1HD1 LEU 68 1HD1 LEU 68 -0.104 6.220 -5.978 505 2HD1 LEU 68 2HD1 LEU 68 1.366 6.788 -6.767 506 3HD1 LEU 68 3HD1 LEU 68 -0.185 6.913 -7.597 507 1HD2 LEU 68 1HD2 LEU 68 1.540 9.367 -4.815 508 2HD2 LEU 68 2HD2 LEU 68 1.534 7.612 -4.626 509 3HD2 LEU 68 3HD2 LEU 68 0.247 8.581 -3.907 510 H ARG 69 HN ARG 69 -0.947 11.956 -7.129 511 HA ARG 69 HA ARG 69 -3.477 11.479 -5.784 512 1HB ARG 69 2HB ARG 69 -1.901 13.918 -6.655 513 2HB ARG 69 1HB ARG 69 -3.365 14.023 -5.685 514 1HG ARG 69 2HG ARG 69 -0.950 12.372 -4.901 515 2HG ARG 69 1HG ARG 69 -1.229 14.020 -4.340 516 1HD ARG 69 2HD ARG 69 -3.354 11.902 -3.969 517 2HD ARG 69 1HD ARG 69 -2.034 12.083 -2.808 518 HE ARG 69 HE ARG 69 -2.824 14.279 -2.261 519 1HH1 ARG 69 1HH1 ARG 69 -4.654 12.813 -4.833 520 2HH1 ARG 69 2HH1 ARG 69 -5.965 13.926 -4.679 521 1HH2 ARG 69 1HH2 ARG 69 -4.531 15.713 -2.089 522 2HH2 ARG 69 2HH2 ARG 69 -5.898 15.559 -3.143 523 H ILE 70 HN ILE 70 -2.510 12.839 -8.922 524 HA ILE 70 HA ILE 70 -5.076 13.814 -9.701 525 HB ILE 70 HB ILE 70 -2.459 13.911 -10.529 526 1HG1 ILE 70 2HG1 ILE 70 -4.926 14.725 -12.082 527 2HG1 ILE 70 1HG1 ILE 70 -4.131 15.673 -10.823 528 1HG2 ILE 70 1HG2 ILE 70 -2.575 13.223 -12.976 529 2HG2 ILE 70 2HG2 ILE 70 -4.003 12.280 -12.547 530 3HG2 ILE 70 3HG2 ILE 70 -2.444 11.904 -11.817 531 1HD1 ILE 70 1HD1 ILE 70 -3.311 16.549 -12.888 532 2HD1 ILE 70 2HD1 ILE 70 -3.050 14.935 -13.553 533 3HD1 ILE 70 3HD1 ILE 70 -2.014 15.535 -12.256 534 H THR 71 HN THR 71 -3.389 10.771 -10.259 535 HA THR 71 HA THR 71 -5.615 9.610 -11.788 536 HB THR 71 HB THR 71 -4.085 7.699 -11.949 537 HG1 THR 71 HG1 THR 71 -2.062 7.894 -10.806 538 1HG2 THR 71 1HG2 THR 71 -2.423 8.709 -13.224 539 2HG2 THR 71 2HG2 THR 71 -2.258 10.073 -12.120 540 3HG2 THR 71 3HG2 THR 71 -3.656 9.969 -13.189 541 H ASN 72 HN ASN 72 -5.816 7.100 -10.923 542 HA ASN 72 HA ASN 72 -6.641 7.262 -8.058 543 1HB ASN 72 2HB ASN 72 -8.427 6.553 -9.453 544 2HB ASN 72 1HB ASN 72 -7.366 5.560 -10.446 545 1HD2 ASN 72 1HD2 ASN 72 -8.637 3.619 -10.063 546 2HD2 ASN 72 2HD2 ASN 72 -8.631 2.838 -8.554 547 H LEU 73 HN LEU 73 -3.849 6.854 -9.467 548 HA LEU 73 HA LEU 73 -2.991 4.179 -8.729 549 1HB LEU 73 2HB LEU 73 -1.604 6.831 -9.232 550 2HB LEU 73 1HB LEU 73 -0.728 5.331 -8.931 551 HG LEU 73 HG LEU 73 -2.721 5.771 -11.186 552 1HD1 LEU 73 1HD1 LEU 73 -0.898 6.005 -12.633 553 2HD1 LEU 73 2HD1 LEU 73 0.226 5.256 -11.501 554 3HD1 LEU 73 3HD1 LEU 73 -0.356 6.896 -11.213 555 1HD2 LEU 73 1HD2 LEU 73 -2.736 3.526 -11.390 556 2HD2 LEU 73 2HD2 LEU 73 -1.757 3.397 -9.929 557 3HD2 LEU 73 3HD2 LEU 73 -0.976 3.512 -11.507 558 H GLY 74 HN GLY 74 -2.979 7.360 -7.114 559 1HA GLY 74 2HA GLY 74 -1.457 6.856 -4.867 560 2HA GLY 74 1HA GLY 74 -2.892 7.872 -4.830 561 H ASP 75 HN ASP 75 -4.514 5.411 -5.678 562 HA ASP 75 HA ASP 75 -5.421 4.742 -3.049 563 1HB ASP 75 2HB ASP 75 -6.943 3.301 -4.261 564 2HB ASP 75 1HB ASP 75 -6.672 4.736 -5.249 565 H LEU 76 HN LEU 76 -2.877 3.425 -4.980 566 HA LEU 76 HA LEU 76 -2.908 0.703 -4.156 567 1HB LEU 76 2HB LEU 76 -0.637 2.555 -4.905 568 2HB LEU 76 1HB LEU 76 -0.511 0.801 -4.844 569 HG LEU 76 HG LEU 76 -2.519 2.288 -6.555 570 1HD1 LEU 76 1HD1 LEU 76 -0.599 0.892 -8.114 571 2HD1 LEU 76 2HD1 LEU 76 0.300 1.856 -6.942 572 3HD1 LEU 76 3HD1 LEU 76 -0.852 2.635 -8.027 573 1HD2 LEU 76 1HD2 LEU 76 -1.792 -0.413 -7.333 574 2HD2 LEU 76 2HD2 LEU 76 -3.388 0.246 -6.970 575 3HD2 LEU 76 3HD2 LEU 76 -2.375 -0.379 -5.667 576 H LYS 77 HN LYS 77 -2.036 -0.346 -2.431 577 HA LYS 77 HA LYS 77 -0.386 1.145 -0.457 578 1HB LYS 77 2HB LYS 77 -2.957 -0.366 0.118 579 2HB LYS 77 1HB LYS 77 -1.847 0.196 1.367 580 1HG LYS 77 2HG LYS 77 -2.138 2.519 0.587 581 2HG LYS 77 1HG LYS 77 -3.253 1.960 -0.661 582 1HD LYS 77 2HD LYS 77 -4.759 1.068 1.078 583 2HD LYS 77 1HD LYS 77 -3.648 1.630 2.328 584 1HE LYS 77 2HE LYS 77 -4.313 3.813 2.111 585 2HE LYS 77 1HE LYS 77 -4.486 3.685 0.350 586 1HZ LYS 77 1HZ LYS 77 -6.559 3.688 2.047 587 2HZ LYS 77 2HZ LYS 77 -6.286 2.019 1.895 588 3HZ LYS 77 3HZ LYS 77 -6.593 2.962 0.515 589 H VAL 78 HN VAL 78 1.156 -0.235 0.509 590 HA VAL 78 HA VAL 78 1.793 -2.651 -0.852 591 HB VAL 78 HB VAL 78 2.616 -1.779 1.934 592 1HG1 VAL 78 1HG1 VAL 78 4.621 -2.953 0.158 593 2HG1 VAL 78 2HG1 VAL 78 3.260 -4.053 0.444 594 3HG1 VAL 78 3HG1 VAL 78 4.179 -3.410 1.806 595 1HG2 VAL 78 1HG2 VAL 78 2.876 -0.442 -0.565 596 2HG2 VAL 78 2HG2 VAL 78 4.468 -1.062 -0.125 597 3HG2 VAL 78 3HG2 VAL 78 3.599 0.001 0.982 598 H GLY 79 HN GLY 79 1.606 -4.823 -0.183 599 1HA GLY 79 2HA GLY 79 0.745 -6.625 1.136 600 2HA GLY 79 1HA GLY 79 -0.109 -5.448 2.139 601 H ASP 80 HN ASP 80 -0.816 -4.181 -0.661 602 HA ASP 80 HA ASP 80 -3.311 -5.768 -1.036 603 1HB ASP 80 2HB ASP 80 -3.179 -3.228 -0.718 604 2HB ASP 80 1HB ASP 80 -2.455 -3.162 -2.322 605 H TRP 81 HN TRP 81 -3.944 -6.138 -3.387 606 HA TRP 81 HA TRP 81 -1.504 -6.636 -5.069 607 1HB TRP 81 2HB TRP 81 -4.107 -8.147 -4.733 608 2HB TRP 81 1HB TRP 81 -3.027 -8.438 -6.092 609 HD1 TRP 81 HD1 TRP 81 -2.357 -7.963 -2.299 610 HE1 TRP 81 HE1 TRP 81 -0.818 -9.868 -1.523 611 HE3 TRP 81 HE3 TRP 81 -1.897 -10.565 -6.672 612 HZ2 TRP 81 HZ2 TRP 81 0.439 -12.200 -2.599 613 HZ3 TRP 81 HZ3 TRP 81 -0.523 -12.628 -6.768 614 HH2 TRP 81 HH2 TRP 81 0.644 -13.446 -4.736 615 H VAL 82 HN VAL 82 -1.875 -6.357 -7.398 616 HA VAL 82 HA VAL 82 -4.114 -4.492 -8.064 617 HB VAL 82 HB VAL 82 -2.158 -3.158 -8.002 618 1HG1 VAL 82 1HG1 VAL 82 -0.318 -4.486 -7.650 619 2HG1 VAL 82 2HG1 VAL 82 -0.094 -4.203 -9.378 620 3HG1 VAL 82 3HG1 VAL 82 -0.847 -5.698 -8.819 621 1HG2 VAL 82 1HG2 VAL 82 -3.338 -3.557 -10.422 622 2HG2 VAL 82 2HG2 VAL 82 -1.670 -3.994 -10.802 623 3HG2 VAL 82 3HG2 VAL 82 -2.040 -2.393 -10.156 624 H ASN 83 HN ASN 83 -4.852 -4.637 -10.247 625 HA ASN 83 HA ASN 83 -4.502 -7.214 -11.637 626 1HB ASN 83 2HB ASN 83 -6.225 -4.825 -11.657 627 2HB ASN 83 1HB ASN 83 -5.854 -5.412 -13.269 628 1HD2 ASN 83 1HD2 ASN 83 -5.684 -8.245 -12.625 629 2HD2 ASN 83 2HD2 ASN 83 -7.242 -8.766 -12.206 630 H VAL 84 HN VAL 84 -2.410 -7.323 -12.526 631 HA VAL 84 HA VAL 84 -1.362 -4.860 -13.835 632 HB VAL 84 HB VAL 84 0.787 -6.434 -13.785 633 1HG1 VAL 84 1HG1 VAL 84 -0.267 -5.185 -11.242 634 2HG1 VAL 84 2HG1 VAL 84 0.304 -4.237 -12.618 635 3HG1 VAL 84 3HG1 VAL 84 1.412 -5.317 -11.770 636 1HG2 VAL 84 1HG2 VAL 84 -0.869 -7.466 -11.459 637 2HG2 VAL 84 2HG2 VAL 84 0.801 -7.894 -11.829 638 3HG2 VAL 84 3HG2 VAL 84 -0.498 -8.397 -12.910 639 H GLU 85 HN GLU 85 -0.799 -4.791 -15.932 640 HA GLU 85 HA GLU 85 -1.113 -7.275 -17.596 641 1HB GLU 85 2HB GLU 85 -3.158 -5.889 -17.643 642 2HB GLU 85 1HB GLU 85 -2.199 -4.487 -18.123 643 1HG GLU 85 2HG GLU 85 -1.507 -5.660 -20.181 644 2HG GLU 85 1HG GLU 85 -2.469 -7.061 -19.706 645 H ARG 86 HN ARG 86 0.109 -7.168 -19.637 646 HA ARG 86 HA ARG 86 2.548 -5.490 -19.340 647 1HB ARG 86 2HB ARG 86 3.533 -7.183 -20.776 648 2HB ARG 86 1HB ARG 86 2.575 -8.001 -19.541 649 1HG ARG 86 2HG ARG 86 0.666 -8.092 -21.169 650 2HG ARG 86 1HG ARG 86 1.745 -7.437 -22.401 651 1HD ARG 86 2HD ARG 86 3.292 -9.383 -22.000 652 2HD ARG 86 1HD ARG 86 2.062 -10.071 -20.923 653 HE ARG 86 HE ARG 86 0.724 -10.542 -22.822 654 1HH1 ARG 86 1HH1 ARG 86 3.281 -8.330 -23.547 655 2HH1 ARG 86 2HH1 ARG 86 2.997 -8.365 -25.254 656 1HH2 ARG 86 1HH2 ARG 86 0.349 -10.592 -25.045 657 2HH2 ARG 86 2HH2 ARG 86 1.340 -9.643 -26.102 658 H ALA 87 HN ALA 87 3.025 -3.863 -20.765 659 HA ALA 87 HA ALA 87 1.449 -3.671 -23.310 660 1HB ALA 87 1HB ALA 87 2.368 -1.186 -21.996 661 2HB ALA 87 2HB ALA 87 1.169 -2.101 -21.083 662 3HB ALA 87 3HB ALA 87 0.804 -1.558 -22.721 663 H ALA 88 HN ALA 88 2.624 -2.759 -25.095 664 HA ALA 88 HA ALA 88 5.599 -2.621 -24.686 665 1HB ALA 88 1HB ALA 88 4.000 -3.460 -27.127 666 2HB ALA 88 2HB ALA 88 4.671 -4.582 -25.943 667 3HB ALA 88 3HB ALA 88 5.748 -3.589 -26.926 668 H LYS 89 HN LYS 89 6.483 -0.675 -25.153 669 HA LYS 89 HA LYS 89 5.005 1.614 -25.913 670 1HB LYS 89 2HB LYS 89 7.942 0.880 -26.005 671 2HB LYS 89 1HB LYS 89 7.356 2.524 -26.268 672 1HG LYS 89 2HG LYS 89 6.778 2.816 -24.070 673 2HG LYS 89 1HG LYS 89 6.313 1.127 -23.861 674 1HD LYS 89 2HD LYS 89 8.305 1.456 -22.561 675 2HD LYS 89 1HD LYS 89 8.776 0.541 -23.995 676 1HE LYS 89 2HE LYS 89 9.339 2.816 -25.069 677 2HE LYS 89 1HE LYS 89 9.227 3.482 -23.428 678 1HZ LYS 89 1HZ LYS 89 11.365 2.789 -23.331 679 2HZ LYS 89 2HZ LYS 89 11.166 1.613 -24.541 680 3HZ LYS 89 3HZ LYS 89 10.648 1.299 -22.954 681 H PHE 90 HN PHE 90 7.009 -0.566 -27.922 682 HA PHE 90 HA PHE 90 6.646 1.073 -30.316 683 1HB PHE 90 2HB PHE 90 7.896 -0.807 -31.356 684 2HB PHE 90 1HB PHE 90 8.670 -0.248 -29.873 685 HD1 PHE 90 HD1 PHE 90 9.037 -1.727 -28.067 686 HD2 PHE 90 HD2 PHE 90 6.313 -2.820 -31.207 687 HE1 PHE 90 HE1 PHE 90 8.847 -4.009 -27.108 688 HE2 PHE 90 HE2 PHE 90 6.123 -5.101 -30.249 689 HZ PHE 90 HZ PHE 90 7.390 -5.696 -28.199 690 H SER 91 HN SER 91 5.483 0.379 -32.224 691 HA SER 91 HA SER 91 2.864 -0.677 -31.646 692 1HB SER 91 2HB SER 91 4.390 0.005 -34.168 693 2HB SER 91 1HB SER 91 2.696 -0.473 -34.183 694 HG SER 91 HG SER 91 3.740 1.638 -32.599 695 H ASP 92 HN ASP 92 2.176 -2.776 -31.711 696 HA ASP 92 HA ASP 92 3.948 -4.987 -32.362 697 1HB ASP 92 2HB ASP 92 2.054 -4.972 -30.704 698 2HB ASP 92 1HB ASP 92 0.930 -4.901 -32.063 699 H GLU 93 HN GLU 93 1.267 -3.347 -34.007 700 HA GLU 93 HA GLU 93 0.587 -3.418 -36.328 701 1HB GLU 93 2HB GLU 93 3.531 -4.113 -36.319 702 2HB GLU 93 1HB GLU 93 2.630 -3.793 -37.801 703 1HG GLU 93 2HG GLU 93 2.005 -1.565 -36.929 704 2HG GLU 93 1HG GLU 93 2.919 -1.890 -35.456 705 H ILE 94 HN ILE 94 -0.279 -5.656 -35.025 706 HA ILE 94 HA ILE 94 0.561 -8.151 -36.259 707 HB ILE 94 HB ILE 94 -1.946 -7.215 -34.831 708 1HG1 ILE 94 2HG1 ILE 94 0.121 -7.237 -33.480 709 2HG1 ILE 94 1HG1 ILE 94 -0.985 -8.506 -32.953 710 1HG2 ILE 94 1HG2 ILE 94 -2.930 -9.151 -35.414 711 2HG2 ILE 94 2HG2 ILE 94 -1.588 -10.047 -34.702 712 3HG2 ILE 94 3HG2 ILE 94 -1.529 -9.570 -36.400 713 1HD1 ILE 94 1HD1 ILE 94 0.554 -9.677 -34.991 714 2HD1 ILE 94 2HD1 ILE 94 0.691 -9.981 -33.259 715 3HD1 ILE 94 3HD1 ILE 94 1.701 -8.753 -34.021 716 H GLY 95 HN GLY 95 -1.992 -5.754 -36.922 717 1HA GLY 95 2HA GLY 95 -3.400 -5.489 -38.782 718 2HA GLY 95 1HA GLY 95 -2.102 -6.227 -39.721 719 H GLY 96 HN GLY 96 -4.814 -7.080 -37.555 720 1HA GLY 96 2HA GLY 96 -6.342 -8.865 -37.751 721 2HA GLY 96 1HA GLY 96 -5.634 -9.236 -39.325 722 H HIS 97 HN HIS 97 -6.227 -11.367 -37.722 723 HA HIS 97 HA HIS 97 -3.504 -12.288 -36.875 724 1HB HIS 97 2HB HIS 97 -5.562 -11.675 -35.173 725 2HB HIS 97 1HB HIS 97 -5.841 -13.396 -35.444 726 HD1 HIS 97 HD1 HIS 97 -4.944 -12.716 -32.674 727 HD2 HIS 97 HD2 HIS 97 -2.214 -13.389 -35.751 728 HE1 HIS 97 HE1 HIS 97 -2.753 -13.337 -31.565 729 1H MET 1 1HT MET 1 -1.390 0.190 -30.800 730 2H MET 1 2HT MET 1 -1.951 -0.804 -29.542 731 3H MET 1 3HT MET 1 -0.284 -0.560 -29.755 732 HA MET 1 HA MET 1 -0.286 1.432 -28.706 733 1HB MET 1 2HB MET 1 -1.644 2.262 -30.653 734 2HB MET 1 1HB MET 1 -3.102 1.792 -29.779 735 1HG MET 1 2HG MET 1 -2.555 3.319 -27.959 736 2HG MET 1 1HG MET 1 -1.021 3.731 -28.728 737 1HE MET 1 1HE MET 1 -1.638 4.542 -31.915 738 2HE MET 1 2HE MET 1 -0.576 4.794 -30.532 739 3HE MET 1 3HE MET 1 -1.481 6.151 -31.198 740 H PHE 2 HN PHE 2 -1.257 2.283 -26.658 741 HA PHE 2 HA PHE 2 -3.619 1.102 -25.536 742 1HB PHE 2 2HB PHE 2 -2.579 -0.305 -23.854 743 2HB PHE 2 1HB PHE 2 -1.985 -0.815 -25.433 744 HD1 PHE 2 HD1 PHE 2 -1.127 1.537 -22.624 745 HD2 PHE 2 HD2 PHE 2 0.329 -1.019 -25.761 746 HE1 PHE 2 HE1 PHE 2 1.201 1.941 -21.872 747 HE2 PHE 2 HE2 PHE 2 2.656 -0.611 -25.003 748 HZ PHE 2 HZ PHE 2 3.094 0.870 -23.065 749 H THR 3 HN THR 3 -4.059 2.071 -23.423 750 HA THR 3 HA THR 3 -2.045 3.893 -22.308 751 HB THR 3 HB THR 3 -3.586 5.840 -22.590 752 HG1 THR 3 HG1 THR 3 -5.562 5.036 -22.814 753 1HG2 THR 3 1HG2 THR 3 -3.101 4.468 -25.249 754 2HG2 THR 3 2HG2 THR 3 -1.816 5.215 -24.300 755 3HG2 THR 3 3HG2 THR 3 -3.142 6.201 -24.915 756 H GLY 4 HN GLY 4 -5.407 2.751 -22.338 757 1HA GLY 4 2HA GLY 4 -6.911 2.359 -20.583 758 2HA GLY 4 1HA GLY 4 -5.492 1.825 -19.675 759 H ILE 5 HN ILE 5 -5.440 5.046 -20.941 760 HA ILE 5 HA ILE 5 -5.215 6.083 -18.204 761 HB ILE 5 HB ILE 5 -5.257 7.497 -20.894 762 1HG1 ILE 5 2HG1 ILE 5 -2.926 6.412 -19.278 763 2HG1 ILE 5 1HG1 ILE 5 -3.560 5.678 -20.748 764 1HG2 ILE 5 1HG2 ILE 5 -5.501 9.062 -19.051 765 2HG2 ILE 5 2HG2 ILE 5 -3.839 9.152 -19.635 766 3HG2 ILE 5 3HG2 ILE 5 -4.201 8.269 -18.152 767 1HD1 ILE 5 1HD1 ILE 5 -3.153 8.393 -21.377 768 2HD1 ILE 5 2HD1 ILE 5 -2.194 7.021 -21.932 769 3HD1 ILE 5 3HD1 ILE 5 -1.723 7.894 -20.473 770 H VAL 6 HN VAL 6 -6.823 7.015 -17.042 771 HA VAL 6 HA VAL 6 -9.526 6.832 -18.099 772 HB VAL 6 HB VAL 6 -8.109 7.154 -15.505 773 1HG1 VAL 6 1HG1 VAL 6 -10.976 8.039 -15.926 774 2HG1 VAL 6 2HG1 VAL 6 -9.661 8.985 -15.232 775 3HG1 VAL 6 3HG1 VAL 6 -10.314 7.606 -14.351 776 1HG2 VAL 6 1HG2 VAL 6 -10.432 5.594 -15.294 777 2HG2 VAL 6 2HG2 VAL 6 -8.785 5.005 -15.515 778 3HG2 VAL 6 3HG2 VAL 6 -9.818 5.285 -16.917 779 H GLN 7 HN GLN 7 -10.949 8.462 -18.527 780 HA GLN 7 HA GLN 7 -9.990 11.131 -19.096 781 1HB GLN 7 2HB GLN 7 -12.706 9.798 -18.933 782 2HB GLN 7 1HB GLN 7 -12.488 11.463 -19.472 783 1HG GLN 7 2HG GLN 7 -11.061 9.098 -20.718 784 2HG GLN 7 1HG GLN 7 -12.562 9.777 -21.347 785 1HE2 GLN 7 1HE2 GLN 7 -12.219 12.490 -21.212 786 2HE2 GLN 7 2HE2 GLN 7 -10.851 12.981 -22.089 787 H GLY 8 HN GLY 8 -11.828 9.669 -16.398 788 1HA GLY 8 2HA GLY 8 -11.360 12.122 -14.799 789 2HA GLY 8 1HA GLY 8 -13.040 11.743 -15.176 790 H THR 9 HN THR 9 -12.329 11.819 -12.532 791 HA THR 9 HA THR 9 -11.832 8.983 -11.739 792 HB THR 9 HB THR 9 -11.549 10.394 -9.471 793 HG1 THR 9 HG1 THR 9 -11.734 12.424 -9.923 794 1HG2 THR 9 1HG2 THR 9 -9.874 9.069 -11.017 795 2HG2 THR 9 2HG2 THR 9 -9.258 10.202 -9.814 796 3HG2 THR 9 3HG2 THR 9 -9.368 10.685 -11.507 797 H ALA 10 HN ALA 10 -12.950 8.399 -9.608 798 HA ALA 10 HA ALA 10 -15.739 9.497 -9.404 799 1HB ALA 10 1HB ALA 10 -16.413 7.616 -10.482 800 2HB ALA 10 2HB ALA 10 -15.897 6.726 -9.050 801 3HB ALA 10 3HB ALA 10 -14.793 6.916 -10.415 802 H LYS 11 HN LYS 11 -16.589 9.292 -7.283 803 HA LYS 11 HA LYS 11 -14.567 8.520 -5.209 804 1HB LYS 11 2HB LYS 11 -15.409 10.831 -5.193 805 2HB LYS 11 1HB LYS 11 -17.060 10.230 -5.107 806 1HG LYS 11 2HG LYS 11 -16.615 9.170 -2.956 807 2HG LYS 11 1HG LYS 11 -14.923 9.660 -3.040 808 1HD LYS 11 2HD LYS 11 -15.381 11.771 -2.366 809 2HD LYS 11 1HD LYS 11 -16.809 11.885 -3.397 810 1HE LYS 11 2HE LYS 11 -17.931 10.282 -1.687 811 2HE LYS 11 1HE LYS 11 -16.598 10.741 -0.608 812 1HZ LYS 11 1HZ LYS 11 -17.239 13.113 -1.574 813 2HZ LYS 11 2HZ LYS 11 -17.968 12.477 -0.178 814 3HZ LYS 11 3HZ LYS 11 -18.764 12.379 -1.675 815 H LEU 12 HN LEU 12 -14.938 6.499 -4.391 816 HA LEU 12 HA LEU 12 -17.425 5.046 -4.525 817 1HB LEU 12 2HB LEU 12 -14.932 4.366 -3.975 818 2HB LEU 12 1HB LEU 12 -15.378 4.789 -2.337 819 HG LEU 12 HG LEU 12 -17.164 3.158 -2.328 820 1HD1 LEU 12 1HD1 LEU 12 -18.098 3.214 -4.481 821 2HD1 LEU 12 2HD1 LEU 12 -17.272 1.655 -4.472 822 3HD1 LEU 12 3HD1 LEU 12 -16.530 3.043 -5.269 823 1HD2 LEU 12 1HD2 LEU 12 -15.422 1.256 -3.530 824 2HD2 LEU 12 2HD2 LEU 12 -15.582 1.633 -1.816 825 3HD2 LEU 12 3HD2 LEU 12 -14.402 2.497 -2.804 826 H VAL 13 HN VAL 13 -19.229 5.412 -3.343 827 HA VAL 13 HA VAL 13 -18.966 7.039 -0.843 828 HB VAL 13 HB VAL 13 -19.884 8.453 -2.484 829 1HG1 VAL 13 1HG1 VAL 13 -20.933 5.970 -3.595 830 2HG1 VAL 13 2HG1 VAL 13 -20.547 7.492 -4.406 831 3HG1 VAL 13 3HG1 VAL 13 -22.113 7.280 -3.617 832 1HG2 VAL 13 1HG2 VAL 13 -22.222 8.774 -1.807 833 2HG2 VAL 13 2HG2 VAL 13 -21.226 8.384 -0.404 834 3HG2 VAL 13 3HG2 VAL 13 -22.254 7.147 -1.129 835 H SER 14 HN SER 14 -20.608 4.439 -2.538 836 HA SER 14 HA SER 14 -21.575 3.426 0.102 837 1HB SER 14 2HB SER 14 -23.133 4.922 -1.580 838 2HB SER 14 1HB SER 14 -23.521 3.288 -2.105 839 HG SER 14 HG SER 14 -24.871 3.699 -0.426 840 H ILE 15 HN ILE 15 -21.672 1.180 0.197 841 HA ILE 15 HA ILE 15 -21.053 -0.325 -2.329 842 HB ILE 15 HB ILE 15 -20.734 -1.246 0.540 843 1HG1 ILE 15 2HG1 ILE 15 -18.795 0.147 -1.320 844 2HG1 ILE 15 1HG1 ILE 15 -19.351 0.687 0.261 845 1HG2 ILE 15 1HG2 ILE 15 -19.823 -2.244 -2.165 846 2HG2 ILE 15 2HG2 ILE 15 -20.753 -3.107 -0.939 847 3HG2 ILE 15 3HG2 ILE 15 -19.040 -2.767 -0.674 848 1HD1 ILE 15 1HD1 ILE 15 -17.201 -1.186 -0.404 849 2HD1 ILE 15 2HD1 ILE 15 -18.330 -1.840 0.785 850 3HD1 ILE 15 3HD1 ILE 15 -17.502 -0.315 1.099 851 H ASP 16 HN ASP 16 -22.594 -1.732 -3.040 852 HA ASP 16 HA ASP 16 -24.935 -2.272 -1.249 853 1HB ASP 16 2HB ASP 16 -24.532 -2.016 -4.224 854 2HB ASP 16 1HB ASP 16 -25.958 -2.827 -3.576 855 H GLU 17 HN GLU 17 -24.724 -4.294 -0.349 856 HA GLU 17 HA GLU 17 -23.212 -6.378 -1.840 857 1HB GLU 17 2HB GLU 17 -22.605 -5.802 0.481 858 2HB GLU 17 1HB GLU 17 -24.242 -6.192 1.011 859 1HG GLU 17 2HG GLU 17 -23.939 -8.520 0.250 860 2HG GLU 17 1HG GLU 17 -22.300 -8.134 -0.276 861 H LYS 18 HN LYS 18 -24.497 -7.635 -3.145 862 HA LYS 18 HA LYS 18 -27.196 -8.460 -2.127 863 1HB LYS 18 2HB LYS 18 -26.150 -8.851 -4.931 864 2HB LYS 18 1HB LYS 18 -27.822 -8.707 -4.393 865 1HG LYS 18 2HG LYS 18 -26.584 -6.311 -3.597 866 2HG LYS 18 1HG LYS 18 -25.992 -6.624 -5.230 867 1HD LYS 18 2HD LYS 18 -28.035 -5.385 -5.468 868 2HD LYS 18 1HD LYS 18 -28.403 -7.055 -5.900 869 1HE LYS 18 2HE LYS 18 -30.175 -6.493 -4.437 870 2HE LYS 18 1HE LYS 18 -29.021 -7.293 -3.351 871 1HZ LYS 18 1HZ LYS 18 -29.544 -5.237 -2.343 872 2HZ LYS 18 2HZ LYS 18 -29.375 -4.382 -3.801 873 3HZ LYS 18 3HZ LYS 18 -28.006 -5.031 -3.030 874 HA PRO 19 HA PRO 19 -25.402 -12.378 -1.154 875 1HB PRO 19 2HB PRO 19 -27.771 -13.829 -1.671 876 2HB PRO 19 1HB PRO 19 -27.277 -13.152 -0.110 877 1HG PRO 19 2HG PRO 19 -29.177 -12.085 -2.115 878 2HG PRO 19 1HG PRO 19 -29.185 -11.928 -0.352 879 1HD PRO 19 2HD PRO 19 -28.488 -9.886 -1.959 880 2HD PRO 19 1HD PRO 19 -27.723 -10.139 -0.372 881 H ASN 20 HN ASN 20 -27.104 -11.658 -4.127 882 HA ASN 20 HA ASN 20 -26.113 -14.066 -5.523 883 1HB ASN 20 2HB ASN 20 -27.384 -11.587 -6.702 884 2HB ASN 20 1HB ASN 20 -27.449 -13.239 -7.317 885 1HD2 ASN 20 1HD2 ASN 20 -29.011 -10.952 -5.243 886 2HD2 ASN 20 2HD2 ASN 20 -30.176 -12.002 -4.601 887 H PHE 21 HN PHE 21 -25.414 -10.593 -5.339 888 HA PHE 21 HA PHE 21 -22.751 -11.031 -6.571 889 1HB PHE 21 2HB PHE 21 -24.925 -9.280 -7.767 890 2HB PHE 21 1HB PHE 21 -23.271 -9.398 -8.366 891 HD1 PHE 21 HD1 PHE 21 -22.423 -11.583 -9.274 892 HD2 PHE 21 HD2 PHE 21 -26.554 -10.963 -8.259 893 HE1 PHE 21 HE1 PHE 21 -23.052 -13.579 -10.608 894 HE2 PHE 21 HE2 PHE 21 -27.182 -12.960 -9.592 895 HZ PHE 21 HZ PHE 21 -25.430 -14.267 -10.767 896 H ARG 22 HN ARG 22 -21.315 -9.248 -6.132 897 HA ARG 22 HA ARG 22 -22.227 -7.408 -4.004 898 1HB ARG 22 2HB ARG 22 -20.026 -8.607 -3.947 899 2HB ARG 22 1HB ARG 22 -19.537 -7.684 -5.366 900 1HG ARG 22 2HG ARG 22 -19.712 -5.601 -4.173 901 2HG ARG 22 1HG ARG 22 -20.459 -6.398 -2.788 902 1HD ARG 22 2HD ARG 22 -18.390 -7.639 -2.341 903 2HD ARG 22 1HD ARG 22 -17.630 -6.920 -3.775 904 HE ARG 22 HE ARG 22 -18.500 -4.708 -2.409 905 1HH1 ARG 22 1HH1 ARG 22 -16.711 -7.528 -1.518 906 2HH1 ARG 22 2HH1 ARG 22 -15.807 -6.719 -0.284 907 1HH2 ARG 22 1HH2 ARG 22 -17.326 -3.647 -0.801 908 2HH2 ARG 22 2HH2 ARG 22 -16.154 -4.526 0.122 909 H THR 23 HN THR 23 -22.400 -5.198 -4.276 910 HA THR 23 HA THR 23 -22.200 -4.154 -7.083 911 HB THR 23 HB THR 23 -24.318 -3.693 -4.957 912 HG1 THR 23 HG1 THR 23 -25.590 -4.862 -6.550 913 1HG2 THR 23 1HG2 THR 23 -24.417 -2.906 -7.872 914 2HG2 THR 23 2HG2 THR 23 -23.809 -1.815 -6.628 915 3HG2 THR 23 3HG2 THR 23 -25.479 -2.380 -6.565 916 H HIS 24 HN HIS 24 -21.300 -2.064 -7.232 917 HA HIS 24 HA HIS 24 -20.729 -0.691 -4.627 918 1HB HIS 24 2HB HIS 24 -18.995 -1.818 -6.674 919 2HB HIS 24 1HB HIS 24 -18.637 -0.120 -6.359 920 HD1 HIS 24 HD1 HIS 24 -17.440 -3.173 -5.241 921 HD2 HIS 24 HD2 HIS 24 -19.007 0.091 -3.178 922 HE1 HIS 24 HE1 HIS 24 -16.658 -3.395 -2.838 923 H VAL 25 HN VAL 25 -20.954 1.547 -4.639 924 HA VAL 25 HA VAL 25 -21.787 2.780 -7.244 925 HB VAL 25 HB VAL 25 -22.631 3.554 -4.451 926 1HG1 VAL 25 1HG1 VAL 25 -24.091 5.022 -5.443 927 2HG1 VAL 25 2HG1 VAL 25 -24.296 4.012 -6.874 928 3HG1 VAL 25 3HG1 VAL 25 -22.849 5.002 -6.696 929 1HG2 VAL 25 1HG2 VAL 25 -23.286 1.177 -5.823 930 2HG2 VAL 25 2HG2 VAL 25 -24.687 2.233 -6.000 931 3HG2 VAL 25 3HG2 VAL 25 -24.085 1.830 -4.393 932 H VAL 26 HN VAL 26 -20.719 4.604 -7.840 933 HA VAL 26 HA VAL 26 -18.834 5.853 -5.867 934 HB VAL 26 HB VAL 26 -17.453 6.344 -7.845 935 1HG1 VAL 26 1HG1 VAL 26 -16.579 4.303 -7.479 936 2HG1 VAL 26 2HG1 VAL 26 -17.748 3.637 -8.618 937 3HG1 VAL 26 3HG1 VAL 26 -18.137 3.713 -6.901 938 1HG2 VAL 26 1HG2 VAL 26 -19.378 6.624 -9.416 939 2HG2 VAL 26 2HG2 VAL 26 -19.599 4.874 -9.404 940 3HG2 VAL 26 3HG2 VAL 26 -18.118 5.572 -10.062 941 H GLU 27 HN GLU 27 -18.364 8.220 -6.542 942 HA GLU 27 HA GLU 27 -20.934 9.584 -7.230 943 1HB GLU 27 2HB GLU 27 -19.360 9.769 -5.050 944 2HB GLU 27 1HB GLU 27 -18.535 10.920 -6.095 945 1HG GLU 27 2HG GLU 27 -20.429 12.315 -6.265 946 2HG GLU 27 1HG GLU 27 -21.515 11.053 -5.686 947 H LEU 28 HN LEU 28 -20.943 10.244 -9.336 948 HA LEU 28 HA LEU 28 -18.421 10.366 -10.811 949 1HB LEU 28 2HB LEU 28 -20.853 9.412 -11.332 950 2HB LEU 28 1HB LEU 28 -21.087 11.036 -11.971 951 HG LEU 28 HG LEU 28 -19.141 10.777 -13.434 952 1HD1 LEU 28 1HD1 LEU 28 -18.574 8.017 -13.252 953 2HD1 LEU 28 2HD1 LEU 28 -18.581 8.615 -11.593 954 3HD1 LEU 28 3HD1 LEU 28 -17.517 9.351 -12.791 955 1HD2 LEU 28 1HD2 LEU 28 -21.185 8.552 -13.477 956 2HD2 LEU 28 2HD2 LEU 28 -19.976 8.725 -14.749 957 3HD2 LEU 28 3HD2 LEU 28 -21.144 10.014 -14.461 958 HA PRO 29 HA PRO 29 -18.055 14.770 -10.393 959 1HB PRO 29 2HB PRO 29 -16.128 15.098 -12.317 960 2HB PRO 29 1HB PRO 29 -15.791 14.538 -10.670 961 1HG PRO 29 2HG PRO 29 -16.030 12.977 -13.186 962 2HG PRO 29 1HG PRO 29 -14.946 12.740 -11.806 963 1HD PRO 29 2HD PRO 29 -17.166 11.232 -12.236 964 2HD PRO 29 1HD PRO 29 -16.500 11.551 -10.621 965 H ASP 30 HN ASP 30 -17.957 16.677 -12.062 966 HA ASP 30 HA ASP 30 -20.394 16.712 -13.477 967 1HB ASP 30 2HB ASP 30 -17.876 18.383 -13.633 968 2HB ASP 30 1HB ASP 30 -19.374 18.833 -14.448 969 H HIS 31 HN HIS 31 -17.088 16.159 -14.742 970 HA HIS 31 HA HIS 31 -18.139 16.074 -17.484 971 1HB HIS 31 2HB HIS 31 -15.776 15.936 -18.079 972 2HB HIS 31 1HB HIS 31 -15.995 17.165 -16.840 973 HD1 HIS 31 HD1 HIS 31 -16.336 14.448 -14.776 974 HD2 HIS 31 HD2 HIS 31 -13.057 15.852 -16.924 975 HE1 HIS 31 HE1 HIS 31 -14.278 13.493 -13.650 976 H MET 32 HN MET 32 -18.078 13.844 -15.053 977 HA MET 32 HA MET 32 -17.934 11.581 -17.022 978 1HB MET 32 2HB MET 32 -17.592 11.674 -14.007 979 2HB MET 32 1HB MET 32 -17.658 10.180 -14.943 980 1HG MET 32 2HG MET 32 -15.639 12.408 -15.327 981 2HG MET 32 1HG MET 32 -15.321 10.862 -14.540 982 1HE MET 32 1HE MET 32 -16.854 8.617 -16.571 983 2HE MET 32 2HE MET 32 -15.572 8.774 -15.373 984 3HE MET 32 3HE MET 32 -15.180 8.250 -17.008 985 H LEU 33 HN LEU 33 -19.902 13.503 -14.965 986 HA LEU 33 HA LEU 33 -22.137 11.665 -14.626 987 1HB LEU 33 2HB LEU 33 -21.625 14.631 -14.403 988 2HB LEU 33 1HB LEU 33 -23.262 13.994 -14.245 989 HG LEU 33 HG LEU 33 -20.955 12.893 -12.623 990 1HD1 LEU 33 1HD1 LEU 33 -22.216 14.353 -10.803 991 2HD1 LEU 33 2HD1 LEU 33 -22.647 15.333 -12.205 992 3HD1 LEU 33 3HD1 LEU 33 -20.951 15.067 -11.802 993 1HD2 LEU 33 1HD2 LEU 33 -23.976 12.823 -12.411 994 2HD2 LEU 33 2HD2 LEU 33 -22.894 12.242 -11.147 995 3HD2 LEU 33 3HD2 LEU 33 -22.900 11.462 -12.729 996 H ASP 34 HN ASP 34 -20.963 13.787 -17.125 997 HA ASP 34 HA ASP 34 -23.433 14.288 -18.475 998 1HB ASP 34 2HB ASP 34 -21.933 15.150 -20.206 999 2HB ASP 34 1HB ASP 34 -21.292 15.570 -18.615 1000 H GLY 35 HN GLY 35 -24.005 13.498 -20.651 1001 1HA GLY 35 2HA GLY 35 -24.665 11.618 -21.956 1002 2HA GLY 35 1HA GLY 35 -22.928 11.605 -22.235 1003 H LEU 36 HN LEU 36 -24.245 10.828 -19.037 1004 HA LEU 36 HA LEU 36 -23.196 8.070 -19.397 1005 1HB LEU 36 2HB LEU 36 -22.346 9.462 -17.566 1006 2HB LEU 36 1HB LEU 36 -23.985 9.699 -16.968 1007 HG LEU 36 HG LEU 36 -24.223 7.273 -16.610 1008 1HD1 LEU 36 1HD1 LEU 36 -21.463 6.501 -16.772 1009 2HD1 LEU 36 2HD1 LEU 36 -21.956 7.169 -18.327 1010 3HD1 LEU 36 3HD1 LEU 36 -22.845 5.814 -17.628 1011 1HD2 LEU 36 1HD2 LEU 36 -21.730 7.525 -15.175 1012 2HD2 LEU 36 2HD2 LEU 36 -23.378 7.606 -14.552 1013 3HD2 LEU 36 3HD2 LEU 36 -22.592 9.063 -15.158 1014 H GLU 37 HN GLU 37 -24.475 6.285 -18.561 1015 HA GLU 37 HA GLU 37 -27.286 6.707 -17.844 1016 1HB GLU 37 2HB GLU 37 -28.182 5.605 -19.813 1017 2HB GLU 37 1HB GLU 37 -27.124 6.903 -20.366 1018 1HG GLU 37 2HG GLU 37 -25.286 5.284 -20.664 1019 2HG GLU 37 1HG GLU 37 -26.343 3.984 -20.113 1020 H THR 38 HN THR 38 -28.285 4.593 -17.234 1021 HA THR 38 HA THR 38 -26.439 2.757 -15.968 1022 HB THR 38 HB THR 38 -28.881 1.487 -16.246 1023 HG1 THR 38 HG1 THR 38 -30.265 2.926 -16.824 1024 1HG2 THR 38 1HG2 THR 38 -27.561 3.221 -14.242 1025 2HG2 THR 38 2HG2 THR 38 -28.160 1.571 -14.084 1026 3HG2 THR 38 3HG2 THR 38 -29.284 2.927 -14.012 1027 H GLY 39 HN GLY 39 -26.046 0.524 -16.644 1028 1HA GLY 39 2HA GLY 39 -25.881 -1.245 -18.229 1029 2HA GLY 39 1HA GLY 39 -26.831 -0.286 -19.361 1030 H ALA 40 HN ALA 40 -24.735 1.934 -18.380 1031 HA ALA 40 HA ALA 40 -23.041 1.773 -20.726 1032 1HB ALA 40 1HB ALA 40 -23.366 3.444 -18.264 1033 2HB ALA 40 2HB ALA 40 -23.390 3.937 -19.960 1034 3HB ALA 40 3HB ALA 40 -21.854 3.596 -19.162 1035 H SER 41 HN SER 41 -20.725 1.324 -20.721 1036 HA SER 41 HA SER 41 -19.902 -0.526 -18.539 1037 1HB SER 41 2HB SER 41 -17.935 -0.602 -20.409 1038 2HB SER 41 1HB SER 41 -19.385 -1.592 -20.492 1039 HG SER 41 HG SER 41 -20.294 -0.127 -21.874 1040 H VAL 42 HN VAL 42 -19.087 0.713 -16.859 1041 HA VAL 42 HA VAL 42 -17.231 2.957 -17.423 1042 HB VAL 42 HB VAL 42 -18.769 1.848 -15.120 1043 1HG1 VAL 42 1HG1 VAL 42 -17.276 3.356 -13.613 1044 2HG1 VAL 42 2HG1 VAL 42 -16.040 3.037 -14.833 1045 3HG1 VAL 42 3HG1 VAL 42 -16.780 1.699 -13.953 1046 1HG2 VAL 42 1HG2 VAL 42 -18.151 4.638 -14.993 1047 2HG2 VAL 42 2HG2 VAL 42 -19.714 3.880 -15.310 1048 3HG2 VAL 42 3HG2 VAL 42 -18.616 4.236 -16.647 1049 H ALA 43 HN ALA 43 -15.018 2.735 -17.225 1050 HA ALA 43 HA ALA 43 -13.979 0.076 -16.325 1051 1HB ALA 43 1HB ALA 43 -12.389 2.255 -17.676 1052 2HB ALA 43 2HB ALA 43 -13.431 1.195 -18.626 1053 3HB ALA 43 3HB ALA 43 -12.103 0.515 -17.685 1054 H HIS 44 HN HIS 44 -13.297 0.112 -14.231 1055 HA HIS 44 HA HIS 44 -12.626 2.677 -12.907 1056 1HB HIS 44 2HB HIS 44 -13.223 -0.154 -12.163 1057 2HB HIS 44 1HB HIS 44 -12.186 0.753 -11.064 1058 HD1 HIS 44 HD1 HIS 44 -15.223 2.010 -13.041 1059 HD2 HIS 44 HD2 HIS 44 -13.939 1.544 -9.091 1060 HE1 HIS 44 HE1 HIS 44 -16.998 3.064 -11.571 1061 HE2 HIS 44 HE2 HIS 44 -16.219 2.782 -9.177 1062 H ASN 45 HN ASN 45 -10.664 3.319 -13.695 1063 HA ASN 45 HA ASN 45 -8.365 3.338 -14.146 1064 1HB ASN 45 2HB ASN 45 -8.621 2.159 -11.739 1065 2HB ASN 45 1HB ASN 45 -7.950 0.800 -12.646 1066 1HD2 ASN 45 1HD2 ASN 45 -7.202 3.890 -11.229 1067 2HD2 ASN 45 2HD2 ASN 45 -5.589 3.972 -11.737 1068 H GLY 46 HN GLY 46 -10.496 1.209 -15.381 1069 1HA GLY 46 2HA GLY 46 -9.836 0.578 -17.713 1070 2HA GLY 46 1HA GLY 46 -8.381 -0.124 -17.012 1071 H CYS 47 HN CYS 47 -10.744 -0.859 -14.810 1072 HA CYS 47 HA CYS 47 -11.162 -3.547 -16.019 1073 1HB CYS 47 2HB CYS 47 -10.449 -3.146 -13.604 1074 2HB CYS 47 1HB CYS 47 -12.055 -2.478 -13.319 1075 HG CYS 47 HG CYS 47 -11.404 -5.428 -13.552 1076 H CYS 48 HN CYS 48 -12.819 -3.475 -17.501 1077 HA CYS 48 HA CYS 48 -14.875 -1.460 -17.382 1078 1HB CYS 48 2HB CYS 48 -15.673 -2.680 -19.419 1079 2HB CYS 48 1HB CYS 48 -13.946 -2.326 -19.465 1080 HG CYS 48 HG CYS 48 -15.192 -5.136 -19.167 1081 H LEU 49 HN LEU 49 -16.763 -1.546 -16.308 1082 HA LEU 49 HA LEU 49 -18.146 -4.157 -15.981 1083 1HB LEU 49 2HB LEU 49 -18.604 -3.378 -13.559 1084 2HB LEU 49 1HB LEU 49 -16.979 -3.966 -13.914 1085 HG LEU 49 HG LEU 49 -17.308 -1.099 -14.445 1086 1HD1 LEU 49 1HD1 LEU 49 -18.450 -2.178 -12.039 1087 2HD1 LEU 49 2HD1 LEU 49 -18.325 -0.489 -12.534 1088 3HD1 LEU 49 3HD1 LEU 49 -17.015 -1.241 -11.622 1089 1HD2 LEU 49 1HD2 LEU 49 -15.401 -2.222 -12.438 1090 2HD2 LEU 49 2HD2 LEU 49 -15.111 -1.045 -13.719 1091 3HD2 LEU 49 3HD2 LEU 49 -15.217 -2.762 -14.106 1092 H THR 50 HN THR 50 -20.482 -3.822 -15.511 1093 HA THR 50 HA THR 50 -21.381 -1.444 -17.016 1094 HB THR 50 HB THR 50 -22.884 -3.924 -16.132 1095 HG1 THR 50 HG1 THR 50 -21.003 -4.374 -17.386 1096 1HG2 THR 50 1HG2 THR 50 -24.607 -2.750 -17.011 1097 2HG2 THR 50 2HG2 THR 50 -23.854 -3.063 -18.575 1098 3HG2 THR 50 3HG2 THR 50 -23.531 -1.551 -17.728 1099 H VAL 51 HN VAL 51 -23.047 -0.055 -16.325 1100 HA VAL 51 HA VAL 51 -23.208 0.467 -13.466 1101 HB VAL 51 HB VAL 51 -24.865 1.580 -15.756 1102 1HG1 VAL 51 1HG1 VAL 51 -25.760 2.753 -14.058 1103 2HG1 VAL 51 2HG1 VAL 51 -24.216 3.601 -13.982 1104 3HG1 VAL 51 3HG1 VAL 51 -24.516 2.217 -12.928 1105 1HG2 VAL 51 1HG2 VAL 51 -22.639 3.239 -15.063 1106 2HG2 VAL 51 2HG2 VAL 51 -23.007 2.488 -16.616 1107 3HG2 VAL 51 3HG2 VAL 51 -22.038 1.620 -15.426 1108 H THR 52 HN THR 52 -24.498 -0.798 -12.171 1109 HA THR 52 HA THR 52 -26.834 -2.261 -13.112 1110 HB THR 52 HB THR 52 -27.074 -2.752 -10.730 1111 HG1 THR 52 HG1 THR 52 -26.508 -1.304 -9.343 1112 1HG2 THR 52 1HG2 THR 52 -24.114 -2.603 -10.929 1113 2HG2 THR 52 2HG2 THR 52 -24.949 -3.457 -12.227 1114 3HG2 THR 52 3HG2 THR 52 -25.150 -3.980 -10.555 1115 H GLU 53 HN GLU 53 -26.277 0.809 -11.387 1116 HA GLU 53 HA GLU 53 -28.866 1.848 -12.309 1117 1HB GLU 53 2HB GLU 53 -29.473 0.400 -10.408 1118 2HB GLU 53 1HB GLU 53 -28.323 1.259 -9.382 1119 1HG GLU 53 2HG GLU 53 -29.576 3.356 -9.725 1120 2HG GLU 53 1HG GLU 53 -30.729 2.500 -10.751 1121 H ILE 54 HN ILE 54 -29.037 4.145 -11.883 1122 HA ILE 54 HA ILE 54 -26.467 5.427 -10.994 1123 HB ILE 54 HB ILE 54 -28.817 6.450 -12.638 1124 1HG1 ILE 54 2HG1 ILE 54 -26.156 6.280 -13.858 1125 2HG1 ILE 54 1HG1 ILE 54 -26.803 4.709 -13.390 1126 1HG2 ILE 54 1HG2 ILE 54 -26.186 7.825 -12.629 1127 2HG2 ILE 54 2HG2 ILE 54 -27.136 7.972 -11.149 1128 3HG2 ILE 54 3HG2 ILE 54 -27.812 8.506 -12.689 1129 1HD1 ILE 54 1HD1 ILE 54 -28.108 4.737 -15.229 1130 2HD1 ILE 54 2HD1 ILE 54 -27.550 6.363 -15.628 1131 3HD1 ILE 54 3HD1 ILE 54 -28.945 6.145 -14.572 1132 H ASN 55 HN ASN 55 -26.497 6.498 -9.108 1133 HA ASN 55 HA ASN 55 -29.117 6.928 -7.737 1134 1HB ASN 55 2HB ASN 55 -26.258 6.491 -6.959 1135 2HB ASN 55 1HB ASN 55 -27.291 7.387 -5.843 1136 1HD2 ASN 55 1HD2 ASN 55 -26.938 4.250 -7.512 1137 2HD2 ASN 55 2HD2 ASN 55 -27.968 3.394 -6.470 1138 H GLY 56 HN GLY 56 -29.049 8.772 -9.588 1139 1HA GLY 56 2HA GLY 56 -29.116 11.137 -9.835 1140 2HA GLY 56 1HA GLY 56 -28.381 11.298 -8.237 1141 H ASN 57 HN ASN 57 -26.279 11.965 -8.246 1142 HA ASN 57 HA ASN 57 -24.733 11.927 -10.737 1143 1HB ASN 57 2HB ASN 57 -23.579 13.568 -9.671 1144 2HB ASN 57 1HB ASN 57 -24.822 13.463 -8.448 1145 1HD2 ASN 57 1HD2 ASN 57 -21.801 11.847 -9.352 1146 2HD2 ASN 57 2HD2 ASN 57 -21.251 11.576 -7.770 1147 H HIS 58 HN HIS 58 -25.235 9.914 -7.984 1148 HA HIS 58 HA HIS 58 -22.691 8.533 -7.995 1149 1HB HIS 58 2HB HIS 58 -25.431 8.151 -6.834 1150 2HB HIS 58 1HB HIS 58 -24.253 6.847 -6.713 1151 HD1 HIS 58 HD1 HIS 58 -25.422 9.219 -4.561 1152 HD2 HIS 58 HD2 HIS 58 -21.546 8.474 -5.914 1153 HE1 HIS 58 HE1 HIS 58 -23.851 10.216 -2.843 1154 H VAL 59 HN VAL 59 -22.422 6.259 -8.626 1155 HA VAL 59 HA VAL 59 -24.547 5.176 -10.386 1156 HB VAL 59 HB VAL 59 -21.644 5.614 -11.111 1157 1HG1 VAL 59 1HG1 VAL 59 -23.650 3.639 -12.081 1158 2HG1 VAL 59 2HG1 VAL 59 -21.891 3.515 -12.034 1159 3HG1 VAL 59 3HG1 VAL 59 -22.676 4.453 -13.306 1160 1HG2 VAL 59 1HG2 VAL 59 -24.225 6.840 -11.724 1161 2HG2 VAL 59 2HG2 VAL 59 -23.364 6.342 -13.183 1162 3HG2 VAL 59 3HG2 VAL 59 -22.597 7.447 -12.041 1163 H SER 60 HN SER 60 -24.997 3.180 -9.610 1164 HA SER 60 HA SER 60 -22.994 1.670 -8.024 1165 1HB SER 60 2HB SER 60 -25.628 1.983 -7.737 1166 2HB SER 60 1HB SER 60 -25.657 0.612 -8.841 1167 HG SER 60 HG SER 60 -25.547 -0.230 -6.809 1168 H PHE 61 HN PHE 61 -21.839 -0.002 -8.908 1169 HA PHE 61 HA PHE 61 -22.702 -1.013 -11.609 1170 1HB PHE 61 2HB PHE 61 -20.086 -1.298 -11.847 1171 2HB PHE 61 1HB PHE 61 -20.823 0.277 -12.126 1172 HD1 PHE 61 HD1 PHE 61 -18.451 -1.584 -10.143 1173 HD2 PHE 61 HD2 PHE 61 -20.939 1.922 -10.170 1174 HE1 PHE 61 HE1 PHE 61 -17.079 -0.594 -8.327 1175 HE2 PHE 61 HE2 PHE 61 -19.571 2.908 -8.353 1176 HZ PHE 61 HZ PHE 61 -17.640 1.653 -7.431 1177 H ASP 62 HN ASP 62 -22.183 -3.260 -12.009 1178 HA ASP 62 HA ASP 62 -22.456 -4.803 -9.537 1179 1HB ASP 62 2HB ASP 62 -23.084 -6.581 -11.075 1180 2HB ASP 62 1HB ASP 62 -23.828 -5.084 -11.629 1181 H LEU 63 HN LEU 63 -21.161 -6.450 -8.829 1182 HA LEU 63 HA LEU 63 -18.558 -6.977 -10.155 1183 1HB LEU 63 2HB LEU 63 -19.073 -5.034 -8.105 1184 2HB LEU 63 1HB LEU 63 -18.100 -6.321 -7.413 1185 HG LEU 63 HG LEU 63 -17.087 -5.707 -10.027 1186 1HD1 LEU 63 1HD1 LEU 63 -18.302 -3.471 -8.852 1187 2HD1 LEU 63 2HD1 LEU 63 -17.113 -3.453 -10.159 1188 3HD1 LEU 63 3HD1 LEU 63 -16.583 -3.288 -8.485 1189 1HD2 LEU 63 1HD2 LEU 63 -16.082 -6.523 -7.648 1190 2HD2 LEU 63 2HD2 LEU 63 -15.657 -4.814 -7.567 1191 3HD2 LEU 63 3HD2 LEU 63 -15.069 -5.806 -8.900 1192 H MET 64 HN MET 64 -18.585 -9.237 -10.055 1193 HA MET 64 HA MET 64 -20.108 -10.682 -8.058 1194 1HB MET 64 2HB MET 64 -19.472 -11.423 -10.397 1195 2HB MET 64 1HB MET 64 -17.834 -11.667 -9.802 1196 1HG MET 64 2HG MET 64 -18.686 -13.251 -8.104 1197 2HG MET 64 1HG MET 64 -20.319 -13.028 -8.734 1198 1HE MET 64 1HE MET 64 -21.218 -13.815 -10.873 1199 2HE MET 64 2HE MET 64 -20.301 -14.479 -12.223 1200 3HE MET 64 3HE MET 64 -20.074 -12.795 -11.755 1201 H LYS 65 HN LYS 65 -19.383 -11.581 -6.110 1202 HA LYS 65 HA LYS 65 -17.287 -10.314 -4.721 1203 1HB LYS 65 2HB LYS 65 -19.212 -11.488 -3.716 1204 2HB LYS 65 1HB LYS 65 -18.571 -13.030 -4.283 1205 1HG LYS 65 2HG LYS 65 -17.989 -12.657 -1.914 1206 2HG LYS 65 1HG LYS 65 -16.541 -12.691 -2.921 1207 1HD LYS 65 2HD LYS 65 -16.382 -10.287 -2.911 1208 2HD LYS 65 1HD LYS 65 -17.962 -10.133 -2.141 1209 1HE LYS 65 2HE LYS 65 -17.161 -10.798 -0.054 1210 2HE LYS 65 1HE LYS 65 -15.821 -11.728 -0.754 1211 1HZ LYS 65 1HZ LYS 65 -15.277 -9.313 -1.703 1212 2HZ LYS 65 2HZ LYS 65 -14.657 -9.878 -0.227 1213 3HZ LYS 65 3HZ LYS 65 -16.021 -8.866 -0.246 1214 H GLU 66 HN GLU 66 -17.304 -13.608 -6.155 1215 HA GLU 66 HA GLU 66 -14.547 -14.171 -5.530 1216 1HB GLU 66 2HB GLU 66 -16.268 -15.862 -6.074 1217 2HB GLU 66 1HB GLU 66 -16.394 -15.213 -7.709 1218 1HG GLU 66 2HG GLU 66 -14.061 -15.794 -8.156 1219 2HG GLU 66 1HG GLU 66 -13.862 -16.363 -6.498 1220 H THR 67 HN THR 67 -16.139 -12.754 -8.399 1221 HA THR 67 HA THR 67 -13.749 -12.456 -9.994 1222 HB THR 67 HB THR 67 -16.252 -10.745 -9.860 1223 HG1 THR 67 HG1 THR 67 -16.179 -13.232 -10.303 1224 1HG2 THR 67 1HG2 THR 67 -13.985 -11.031 -11.797 1225 2HG2 THR 67 2HG2 THR 67 -14.803 -9.570 -11.244 1226 3HG2 THR 67 3HG2 THR 67 -15.591 -10.636 -12.408 1227 H LEU 68 HN LEU 68 -15.311 -10.466 -7.500 1228 HA LEU 68 HA LEU 68 -13.656 -8.147 -7.675 1229 1HB LEU 68 2HB LEU 68 -15.782 -8.390 -6.427 1230 2HB LEU 68 1HB LEU 68 -15.012 -9.538 -5.336 1231 HG LEU 68 HG LEU 68 -13.299 -7.636 -4.891 1232 1HD1 LEU 68 1HD1 LEU 68 -14.146 -6.223 -6.788 1233 2HD1 LEU 68 2HD1 LEU 68 -14.153 -5.383 -5.238 1234 3HD1 LEU 68 3HD1 LEU 68 -15.656 -6.018 -5.901 1235 1HD2 LEU 68 1HD2 LEU 68 -15.850 -8.333 -3.791 1236 2HD2 LEU 68 2HD2 LEU 68 -15.633 -6.589 -3.635 1237 3HD2 LEU 68 3HD2 LEU 68 -14.438 -7.691 -2.950 1238 H ARG 69 HN ARG 69 -13.323 -11.198 -5.887 1239 HA ARG 69 HA ARG 69 -10.751 -10.589 -4.675 1240 1HB ARG 69 2HB ARG 69 -12.339 -13.102 -5.266 1241 2HB ARG 69 1HB ARG 69 -10.842 -13.113 -4.341 1242 1HG ARG 69 2HG ARG 69 -13.239 -11.406 -3.629 1243 2HG ARG 69 1HG ARG 69 -12.933 -12.995 -2.930 1244 1HD ARG 69 2HD ARG 69 -10.810 -10.845 -2.825 1245 2HD ARG 69 1HD ARG 69 -12.090 -10.924 -1.608 1246 HE ARG 69 HE ARG 69 -11.266 -13.057 -0.890 1247 1HH1 ARG 69 1HH1 ARG 69 -9.533 -11.825 -3.646 1248 2HH1 ARG 69 2HH1 ARG 69 -8.211 -12.916 -3.437 1249 1HH2 ARG 69 1HH2 ARG 69 -9.545 -14.464 -0.647 1250 2HH2 ARG 69 2HH2 ARG 69 -8.216 -14.403 -1.756 1251 H ILE 70 HN ILE 70 -11.826 -12.237 -7.643 1252 HA ILE 70 HA ILE 70 -9.269 -13.264 -8.415 1253 HB ILE 70 HB ILE 70 -11.910 -13.447 -9.142 1254 1HG1 ILE 70 2HG1 ILE 70 -9.491 -14.389 -10.698 1255 2HG1 ILE 70 1HG1 ILE 70 -10.235 -15.220 -9.331 1256 1HG2 ILE 70 1HG2 ILE 70 -12.102 -12.888 -11.511 1257 2HG2 ILE 70 2HG2 ILE 70 -10.466 -12.228 -11.505 1258 3HG2 ILE 70 3HG2 ILE 70 -11.739 -11.435 -10.581 1259 1HD1 ILE 70 1HD1 ILE 70 -12.375 -15.327 -10.648 1260 2HD1 ILE 70 2HD1 ILE 70 -11.055 -16.248 -11.367 1261 3HD1 ILE 70 3HD1 ILE 70 -11.498 -14.676 -12.031 1262 H THR 71 HN THR 71 -11.009 -10.291 -9.188 1263 HA THR 71 HA THR 71 -8.827 -9.266 -10.889 1264 HB THR 71 HB THR 71 -10.376 -7.386 -11.176 1265 HG1 THR 71 HG1 THR 71 -12.223 -8.559 -9.452 1266 1HG2 THR 71 1HG2 THR 71 -12.014 -8.514 -12.340 1267 2HG2 THR 71 2HG2 THR 71 -12.243 -9.714 -11.068 1268 3HG2 THR 71 3HG2 THR 71 -10.839 -9.813 -12.131 1269 H ASN 72 HN ASN 72 -8.616 -6.687 -10.265 1270 HA ASN 72 HA ASN 72 -7.692 -6.584 -7.427 1271 1HB ASN 72 2HB ASN 72 -5.961 -5.999 -8.942 1272 2HB ASN 72 1HB ASN 72 -7.060 -5.106 -9.984 1273 1HD2 ASN 72 1HD2 ASN 72 -5.807 -3.114 -9.832 1274 2HD2 ASN 72 2HD2 ASN 72 -5.750 -2.216 -8.388 1275 H LEU 73 HN LEU 73 -10.532 -6.317 -8.771 1276 HA LEU 73 HA LEU 73 -11.385 -3.588 -8.252 1277 1HB LEU 73 2HB LEU 73 -12.766 -6.281 -8.465 1278 2HB LEU 73 1HB LEU 73 -13.647 -4.765 -8.271 1279 HG LEU 73 HG LEU 73 -11.726 -5.400 -10.546 1280 1HD1 LEU 73 1HD1 LEU 73 -13.614 -5.731 -11.909 1281 2HD1 LEU 73 2HD1 LEU 73 -14.697 -4.945 -10.763 1282 3HD1 LEU 73 3HD1 LEU 73 -14.057 -6.550 -10.413 1283 1HD2 LEU 73 1HD2 LEU 73 -11.614 -3.110 -10.532 1284 2HD2 LEU 73 2HD2 LEU 73 -13.091 -2.942 -9.584 1285 3HD2 LEU 73 3HD2 LEU 73 -13.187 -3.240 -11.319 1286 H GLY 74 HN GLY 74 -11.321 -6.610 -6.355 1287 1HA GLY 74 2HA GLY 74 -12.769 -5.913 -4.112 1288 2HA GLY 74 1HA GLY 74 -11.325 -6.912 -4.032 1289 H ASP 75 HN ASP 75 -9.752 -4.532 -5.155 1290 HA ASP 75 HA ASP 75 -8.762 -3.624 -2.630 1291 1HB ASP 75 2HB ASP 75 -7.292 -2.293 -4.018 1292 2HB ASP 75 1HB ASP 75 -7.586 -3.812 -4.863 1293 H LEU 76 HN LEU 76 -11.379 -2.497 -4.585 1294 HA LEU 76 HA LEU 76 -11.339 0.288 -4.013 1295 1HB LEU 76 2HB LEU 76 -13.619 -1.634 -4.514 1296 2HB LEU 76 1HB LEU 76 -13.757 0.119 -4.608 1297 HG LEU 76 HG LEU 76 -11.797 -1.509 -6.244 1298 1HD1 LEU 76 1HD1 LEU 76 -14.559 -0.446 -6.875 1299 2HD1 LEU 76 2HD1 LEU 76 -13.970 -2.100 -7.043 1300 3HD1 LEU 76 3HD1 LEU 76 -13.388 -0.843 -8.133 1301 1HD2 LEU 76 1HD2 LEU 76 -12.623 1.151 -7.158 1302 2HD2 LEU 76 2HD2 LEU 76 -11.000 0.485 -6.971 1303 3HD2 LEU 76 3HD2 LEU 76 -11.830 1.188 -5.581 1304 H LYS 77 HN LYS 77 -12.160 1.487 -2.360 1305 HA LYS 77 HA LYS 77 -13.741 0.175 -0.204 1306 1HB LYS 77 2HB LYS 77 -11.155 1.742 0.142 1307 2HB LYS 77 1HB LYS 77 -12.219 1.291 1.474 1308 1HG LYS 77 2HG LYS 77 -11.936 -1.092 0.899 1309 2HG LYS 77 1HG LYS 77 -10.869 -0.643 -0.432 1310 1HD LYS 77 2HD LYS 77 -9.311 0.408 1.168 1311 2HD LYS 77 1HD LYS 77 -10.375 -0.042 2.500 1312 1HE LYS 77 2HE LYS 77 -9.704 -2.233 2.457 1313 2HE LYS 77 1HE LYS 77 -9.590 -2.263 0.686 1314 1HZ LYS 77 1HZ LYS 77 -7.449 -2.153 2.243 1315 2HZ LYS 77 2HZ LYS 77 -7.754 -0.488 2.091 1316 3HZ LYS 77 3HZ LYS 77 -7.497 -1.438 0.705 1317 H VAL 78 HN VAL 78 -15.249 1.632 0.682 1318 HA VAL 78 HA VAL 78 -15.949 3.910 -0.869 1319 HB VAL 78 HB VAL 78 -16.672 3.293 2.009 1320 1HG1 VAL 78 1HG1 VAL 78 -17.393 5.406 0.304 1321 2HG1 VAL 78 2HG1 VAL 78 -18.215 4.930 1.792 1322 3HG1 VAL 78 3HG1 VAL 78 -18.764 4.286 0.242 1323 1HG2 VAL 78 1HG2 VAL 78 -18.486 2.411 -0.104 1324 2HG2 VAL 78 2HG2 VAL 78 -17.874 1.521 1.290 1325 3HG2 VAL 78 3HG2 VAL 78 -16.915 1.616 -0.187 1326 H GLY 79 HN GLY 79 -15.759 6.133 -0.413 1327 1HA GLY 79 2HA GLY 79 -14.866 8.054 0.705 1328 2HA GLY 79 1HA GLY 79 -13.974 6.982 1.787 1329 H ASP 80 HN ASP 80 -13.352 5.472 -0.909 1330 HA ASP 80 HA ASP 80 -10.877 7.019 -1.511 1331 1HB ASP 80 2HB ASP 80 -10.981 4.517 -0.958 1332 2HB ASP 80 1HB ASP 80 -11.757 4.303 -2.525 1333 H TRP 81 HN TRP 81 -10.327 7.175 -3.905 1334 HA TRP 81 HA TRP 81 -12.822 7.509 -5.540 1335 1HB TRP 81 2HB TRP 81 -10.221 9.054 -5.430 1336 2HB TRP 81 1HB TRP 81 -11.346 9.216 -6.774 1337 HD1 TRP 81 HD1 TRP 81 -11.886 9.085 -2.934 1338 HE1 TRP 81 HE1 TRP 81 -13.412 11.047 -2.281 1339 HE3 TRP 81 HE3 TRP 81 -12.510 11.277 -7.506 1340 HZ2 TRP 81 HZ2 TRP 81 -14.720 13.267 -3.522 1341 HZ3 TRP 81 HZ3 TRP 81 -13.901 13.318 -7.743 1342 HH2 TRP 81 HH2 TRP 81 -15.006 14.313 -5.755 1343 H VAL 82 HN VAL 82 -12.541 7.028 -7.845 1344 HA VAL 82 HA VAL 82 -10.297 5.111 -8.420 1345 HB VAL 82 HB VAL 82 -12.235 3.780 -8.169 1346 1HG1 VAL 82 1HG1 VAL 82 -14.362 4.682 -9.552 1347 2HG1 VAL 82 2HG1 VAL 82 -13.600 6.228 -9.171 1348 3HG1 VAL 82 3HG1 VAL 82 -14.074 5.133 -7.870 1349 1HG2 VAL 82 1HG2 VAL 82 -11.147 3.959 -10.651 1350 2HG2 VAL 82 2HG2 VAL 82 -12.826 4.363 -11.015 1351 3HG2 VAL 82 3HG2 VAL 82 -12.431 2.825 -10.240 1352 H ASN 83 HN ASN 83 -9.637 5.061 -10.626 1353 HA ASN 83 HA ASN 83 -10.050 7.499 -12.233 1354 1HB ASN 83 2HB ASN 83 -8.316 5.129 -12.076 1355 2HB ASN 83 1HB ASN 83 -8.742 5.546 -13.724 1356 1HD2 ASN 83 1HD2 ASN 83 -8.910 8.439 -13.348 1357 2HD2 ASN 83 2HD2 ASN 83 -7.340 9.002 -13.037 1358 H VAL 84 HN VAL 84 -12.173 7.523 -13.052 1359 HA VAL 84 HA VAL 84 -13.246 4.942 -14.098 1360 HB VAL 84 HB VAL 84 -15.403 6.508 -14.120 1361 1HG1 VAL 84 1HG1 VAL 84 -14.255 5.496 -11.511 1362 2HG1 VAL 84 2HG1 VAL 84 -14.866 4.426 -12.775 1363 3HG1 VAL 84 3HG1 VAL 84 -15.952 5.575 -11.991 1364 1HG2 VAL 84 1HG2 VAL 84 -14.094 8.543 -13.469 1365 2HG2 VAL 84 2HG2 VAL 84 -13.682 7.750 -11.950 1366 3HG2 VAL 84 3HG2 VAL 84 -15.363 8.142 -12.311 1367 H GLU 85 HN GLU 85 -13.891 4.683 -16.165 1368 HA GLU 85 HA GLU 85 -13.638 7.005 -18.054 1369 1HB GLU 85 2HB GLU 85 -11.586 5.625 -18.043 1370 2HB GLU 85 1HB GLU 85 -12.552 4.183 -18.362 1371 1HG GLU 85 2HG GLU 85 -13.318 5.162 -20.493 1372 2HG GLU 85 1HG GLU 85 -12.351 6.603 -20.180 1373 H ARG 86 HN ARG 86 -14.926 6.707 -20.033 1374 HA ARG 86 HA ARG 86 -17.341 5.054 -19.504 1375 1HB ARG 86 2HB ARG 86 -18.387 6.607 -21.052 1376 2HB ARG 86 1HB ARG 86 -17.391 7.535 -19.930 1377 1HG ARG 86 2HG ARG 86 -15.540 7.487 -21.623 1378 2HG ARG 86 1HG ARG 86 -16.653 6.716 -22.754 1379 1HD ARG 86 2HD ARG 86 -18.202 8.684 -22.480 1380 2HD ARG 86 1HD ARG 86 -16.942 9.473 -21.512 1381 HE ARG 86 HE ARG 86 -15.672 9.776 -23.490 1382 1HH1 ARG 86 1HH1 ARG 86 -18.235 7.497 -23.925 1383 2HH1 ARG 86 2HH1 ARG 86 -18.006 7.376 -25.635 1384 1HH2 ARG 86 1HH2 ARG 86 -15.371 9.624 -25.719 1385 2HH2 ARG 86 2HH2 ARG 86 -16.388 8.576 -26.651 1386 H ALA 87 HN ALA 87 -17.863 3.307 -20.761 1387 HA ALA 87 HA ALA 87 -16.360 2.877 -23.332 1388 1HB ALA 87 1HB ALA 87 -15.740 0.791 -22.594 1389 2HB ALA 87 2HB ALA 87 -17.235 0.563 -21.687 1390 3HB ALA 87 3HB ALA 87 -15.936 1.542 -21.011 1391 H ALA 88 HN ALA 88 -17.589 1.805 -24.982 1392 HA ALA 88 HA ALA 88 -20.550 1.697 -24.460 1393 1HB ALA 88 1HB ALA 88 -20.797 2.493 -26.740 1394 2HB ALA 88 2HB ALA 88 -19.072 2.288 -27.044 1395 3HB ALA 88 3HB ALA 88 -19.629 3.535 -25.928 1396 H LYS 89 HN LYS 89 -21.436 -0.285 -24.719 1397 HA LYS 89 HA LYS 89 -19.969 -2.629 -25.317 1398 1HB LYS 89 2HB LYS 89 -22.912 -1.918 -25.375 1399 2HB LYS 89 1HB LYS 89 -22.323 -3.576 -25.506 1400 1HG LYS 89 2HG LYS 89 -21.671 -3.664 -23.312 1401 2HG LYS 89 1HG LYS 89 -21.210 -1.961 -23.274 1402 1HD LYS 89 2HD LYS 89 -23.155 -2.178 -21.883 1403 2HD LYS 89 1HD LYS 89 -23.680 -1.400 -23.377 1404 1HE LYS 89 2HE LYS 89 -24.263 -3.765 -24.221 1405 2HE LYS 89 1HE LYS 89 -24.092 -4.278 -22.530 1406 1HZ LYS 89 1HZ LYS 89 -26.081 -2.525 -23.740 1407 2HZ LYS 89 2HZ LYS 89 -25.510 -2.067 -22.207 1408 3HZ LYS 89 3HZ LYS 89 -26.232 -3.588 -22.428 1409 H PHE 90 HN PHE 90 -22.054 -0.648 -27.446 1410 HA PHE 90 HA PHE 90 -21.759 -2.498 -29.691 1411 1HB PHE 90 2HB PHE 90 -23.057 -0.724 -30.856 1412 2HB PHE 90 1HB PHE 90 -23.777 -1.149 -29.303 1413 HD1 PHE 90 HD1 PHE 90 -24.093 0.488 -27.627 1414 HD2 PHE 90 HD2 PHE 90 -21.482 1.301 -30.944 1415 HE1 PHE 90 HE1 PHE 90 -23.887 2.847 -26.886 1416 HE2 PHE 90 HE2 PHE 90 -21.276 3.660 -30.204 1417 HZ PHE 90 HZ PHE 90 -22.479 4.433 -28.175 1418 H SER 91 HN SER 91 -20.666 -1.976 -31.695 1419 HA SER 91 HA SER 91 -18.036 -0.861 -31.302 1420 1HB SER 91 2HB SER 91 -19.640 -1.774 -33.701 1421 2HB SER 91 1HB SER 91 -17.951 -1.292 -33.811 1422 HG SER 91 HG SER 91 -18.264 -3.567 -33.481 1423 H ASP 92 HN ASP 92 -17.363 1.226 -31.583 1424 HA ASP 92 HA ASP 92 -19.174 3.357 -32.371 1425 1HB ASP 92 2HB ASP 92 -17.226 3.505 -30.784 1426 2HB ASP 92 1HB ASP 92 -16.147 3.314 -32.166 1427 H GLU 93 HN GLU 93 -16.373 1.768 -33.961 1428 HA GLU 93 HA GLU 93 -17.423 2.765 -36.581 1429 1HB GLU 93 2HB GLU 93 -14.662 3.053 -35.367 1430 2HB GLU 93 1HB GLU 93 -14.989 3.337 -37.077 1431 1HG GLU 93 2HG GLU 93 -16.632 5.067 -36.495 1432 2HG GLU 93 1HG GLU 93 -16.355 4.769 -34.778 1433 H ILE 94 HN ILE 94 -17.834 0.156 -35.886 1434 HA ILE 94 HA ILE 94 -15.842 -1.261 -37.621 1435 HB ILE 94 HB ILE 94 -17.212 -2.352 -35.144 1436 1HG1 ILE 94 2HG1 ILE 94 -14.282 -1.674 -35.443 1437 2HG1 ILE 94 1HG1 ILE 94 -15.443 -0.491 -34.837 1438 1HG2 ILE 94 1HG2 ILE 94 -16.024 -3.648 -37.323 1439 2HG2 ILE 94 2HG2 ILE 94 -16.383 -4.360 -35.750 1440 3HG2 ILE 94 3HG2 ILE 94 -14.790 -3.670 -36.064 1441 1HD1 ILE 94 1HD1 ILE 94 -14.162 -2.083 -33.157 1442 2HD1 ILE 94 2HD1 ILE 94 -15.413 -3.234 -33.627 1443 3HD1 ILE 94 3HD1 ILE 94 -15.862 -1.694 -32.894 1444 H GLY 95 HN GLY 95 -18.965 -0.238 -37.327 1445 1HA GLY 95 2HA GLY 95 -20.450 -2.597 -38.067 1446 2HA GLY 95 1HA GLY 95 -21.016 -0.935 -38.241 1447 H GLY 96 HN GLY 96 -18.422 -2.931 -39.716 1448 1HA GLY 96 2HA GLY 96 -17.976 -3.339 -41.992 1449 2HA GLY 96 1HA GLY 96 -19.582 -2.710 -42.362 1450 H HIS 97 HN HIS 97 -16.493 -2.146 -43.098 1451 HA HIS 97 HA HIS 97 -15.244 -0.228 -43.719 1452 1HB HIS 97 2HB HIS 97 -18.139 0.379 -44.356 1453 2HB HIS 97 1HB HIS 97 -16.832 1.454 -44.852 1454 HD1 HIS 97 HD1 HIS 97 -18.656 -1.476 -45.944 1455 HD2 HIS 97 HD2 HIS 97 -14.769 -0.057 -46.456 1456 HE1 HIS 97 HE1 HIS 97 -17.689 -2.732 -47.920 1457 HN3 RBF 98 HN3 RBF 98 4.159 6.626 -13.310 1458 HC6 RBF 98 HC6 RBF 98 3.380 4.848 -19.993 1459 1HC7 RBF 98 1HC7 RBF 98 1.588 4.457 -22.376 1460 2HC7 RBF 98 2HC7 RBF 98 3.245 5.083 -22.514 1461 3HC7 RBF 98 3HC7 RBF 98 1.892 5.989 -23.223 1462 1HC8 RBF 98 1HC8 RBF 98 1.123 7.825 -23.085 1463 2HC8 RBF 98 2HC8 RBF 98 -0.122 8.579 -22.063 1464 3HC8 RBF 98 3HC8 RBF 98 -0.291 6.883 -22.565 1465 HC9 RBF 98 HC9 RBF 98 0.337 8.768 -19.793 1466 1HC1 RBF 98 1HC1 RBF 98 0.780 9.980 -18.270 1467 2HC1 RBF 98 2HC1 RBF 98 0.880 9.928 -16.500 1468 HC2* RBF 98 HC2* RBF 98 -1.022 8.464 -16.345 1469 HO2* RBF 98 HO2* RBF 98 -0.975 7.014 -17.946 1470 HC3* RBF 98 HC3* RBF 98 -2.774 9.738 -17.608 1471 HO3* RBF 98 HO3* RBF 98 -1.125 10.069 -19.436 1472 HC4* RBF 98 HC4* RBF 98 -0.610 11.520 -16.416 1473 HO4* RBF 98 HO4* RBF 98 -2.356 10.914 -14.569 1474 1HC5 RBF 98 1HC5 RBF 98 -2.490 12.931 -15.774 1475 2HC5 RBF 98 2HC5 RBF 98 -2.576 12.627 -17.522 1476 HO5* RBF 98 HO5* RBF 98 -4.362 11.450 -17.241 1477 HN3 RBF 99 HN3 RBF 99 -18.667 -6.472 -12.346 1478 HC6 RBF 99 HC6 RBF 99 -18.124 -5.305 -19.186 1479 1HC7 RBF 99 1HC7 RBF 99 -16.417 -5.125 -21.655 1480 2HC7 RBF 99 2HC7 RBF 99 -18.073 -5.766 -21.679 1481 3HC7 RBF 99 3HC7 RBF 99 -16.737 -6.729 -22.348 1482 1HC8 RBF 99 1HC8 RBF 99 -15.951 -8.542 -22.069 1483 2HC8 RBF 99 2HC8 RBF 99 -14.668 -9.194 -21.026 1484 3HC8 RBF 99 3HC8 RBF 99 -14.527 -7.550 -21.686 1485 HC9 RBF 99 HC9 RBF 99 -15.050 -9.178 -18.733 1486 1HC1 RBF 99 1HC1 RBF 99 -15.432 -10.249 -17.094 1487 2HC1 RBF 99 2HC1 RBF 99 -15.475 -10.036 -15.332 1488 HC2* RBF 99 HC2* RBF 99 -13.582 -8.556 -15.373 1489 HO2* RBF 99 HO2* RBF 99 -13.688 -7.259 -17.099 1490 HC3* RBF 99 HC3* RBF 99 -11.860 -9.933 -16.576 1491 HO3* RBF 99 HO3* RBF 99 -13.568 -10.436 -18.310 1492 HC4* RBF 99 HC4* RBF 99 -13.972 -11.606 -15.156 1493 HO4* RBF 99 HO4* RBF 99 -12.168 -10.830 -13.431 1494 1HC5 RBF 99 1HC5 RBF 99 -12.062 -12.948 -14.451 1495 2HC5 RBF 99 2HC5 RBF 99 -12.036 -12.802 -16.222 1496 HO5* RBF 99 HO5* RBF 99 -10.250 -11.598 -16.110 Start of MODEL 19 1 1H MET 1 1HT MET 1 -13.921 -0.678 -29.964 2 2H MET 1 2HT MET 1 -14.621 0.043 -28.595 3 3H MET 1 3HT MET 1 -15.568 -0.911 -29.633 4 HA MET 1 HA MET 1 -15.193 -2.518 -28.100 5 1HB MET 1 2HB MET 1 -12.582 -2.363 -29.646 6 2HB MET 1 1HB MET 1 -13.191 -3.798 -28.821 7 1HG MET 1 2HG MET 1 -14.730 -2.350 -30.990 8 2HG MET 1 1HG MET 1 -13.678 -3.730 -31.303 9 1HE MET 1 1HE MET 1 -13.575 -5.564 -29.853 10 2HE MET 1 2HE MET 1 -14.829 -6.581 -30.560 11 3HE MET 1 3HE MET 1 -14.845 -6.250 -28.830 12 H PHE 2 HN PHE 2 -14.216 -3.087 -26.079 13 HA PHE 2 HA PHE 2 -11.714 -1.954 -25.210 14 1HB PHE 2 2HB PHE 2 -12.595 -0.446 -23.506 15 2HB PHE 2 1HB PHE 2 -13.254 0.025 -25.069 16 HD1 PHE 2 HD1 PHE 2 -14.048 -2.200 -22.144 17 HD2 PHE 2 HD2 PHE 2 -15.582 0.352 -25.258 18 HE1 PHE 2 HE1 PHE 2 -16.343 -2.492 -21.258 19 HE2 PHE 2 HE2 PHE 2 -17.870 0.046 -24.370 20 HZ PHE 2 HZ PHE 2 -18.255 -1.379 -22.381 21 H THR 3 HN THR 3 -11.032 -3.024 -23.280 22 HA THR 3 HA THR 3 -13.014 -4.742 -21.896 23 HB THR 3 HB THR 3 -11.845 -6.748 -22.412 24 HG1 THR 3 HG1 THR 3 -9.759 -6.783 -22.867 25 1HG2 THR 3 1HG2 THR 3 -11.885 -6.868 -24.767 26 2HG2 THR 3 2HG2 THR 3 -11.330 -5.205 -24.954 27 3HG2 THR 3 3HG2 THR 3 -12.978 -5.526 -24.420 28 H GLY 4 HN GLY 4 -9.692 -3.482 -22.126 29 1HA GLY 4 2HA GLY 4 -8.072 -3.150 -20.462 30 2HA GLY 4 1HA GLY 4 -9.436 -2.581 -19.499 31 H ILE 5 HN ILE 5 -9.400 -5.820 -20.754 32 HA ILE 5 HA ILE 5 -9.634 -6.915 -18.038 33 HB ILE 5 HB ILE 5 -9.303 -8.325 -20.708 34 1HG1 ILE 5 2HG1 ILE 5 -11.085 -6.578 -20.741 35 2HG1 ILE 5 1HG1 ILE 5 -11.729 -8.203 -20.919 36 1HG2 ILE 5 1HG2 ILE 5 -11.062 -9.794 -19.313 37 2HG2 ILE 5 2HG2 ILE 5 -10.154 -9.108 -17.965 38 3HG2 ILE 5 3HG2 ILE 5 -9.322 -10.056 -19.198 39 1HD1 ILE 5 1HD1 ILE 5 -13.066 -6.885 -19.318 40 2HD1 ILE 5 2HD1 ILE 5 -11.623 -6.611 -18.340 41 3HD1 ILE 5 3HD1 ILE 5 -12.275 -8.240 -18.514 42 H VAL 6 HN VAL 6 -7.963 -7.681 -16.811 43 HA VAL 6 HA VAL 6 -5.253 -7.338 -17.886 44 HB VAL 6 HB VAL 6 -6.633 -7.507 -15.246 45 1HG1 VAL 6 1HG1 VAL 6 -3.699 -8.132 -15.664 46 2HG1 VAL 6 2HG1 VAL 6 -4.890 -9.103 -14.799 47 3HG1 VAL 6 3HG1 VAL 6 -4.349 -7.564 -14.127 48 1HG2 VAL 6 1HG2 VAL 6 -4.402 -5.721 -15.398 49 2HG2 VAL 6 2HG2 VAL 6 -6.120 -5.320 -15.335 50 3HG2 VAL 6 3HG2 VAL 6 -5.330 -5.580 -16.891 51 H GLN 7 HN GLN 7 -3.723 -8.910 -18.134 52 HA GLN 7 HA GLN 7 -4.498 -11.689 -18.362 53 1HB GLN 7 2HB GLN 7 -1.836 -10.234 -18.347 54 2HB GLN 7 1HB GLN 7 -2.037 -11.928 -18.800 55 1HG GLN 7 2HG GLN 7 -3.500 -9.634 -20.138 56 2HG GLN 7 1HG GLN 7 -2.017 -10.358 -20.763 57 1HE2 GLN 7 1HE2 GLN 7 -4.999 -10.401 -21.708 58 2HE2 GLN 7 2HE2 GLN 7 -5.285 -12.048 -22.003 59 H GLY 8 HN GLY 8 -2.780 -9.779 -15.852 60 1HA GLY 8 2HA GLY 8 -3.046 -12.086 -14.002 61 2HA GLY 8 1HA GLY 8 -1.405 -11.619 -14.443 62 H THR 9 HN THR 9 -1.947 -11.464 -11.814 63 HA THR 9 HA THR 9 -2.608 -8.586 -11.293 64 HB THR 9 HB THR 9 -3.144 -9.581 -8.975 65 HG1 THR 9 HG1 THR 9 -2.982 -11.661 -8.763 66 1HG2 THR 9 1HG2 THR 9 -5.347 -9.931 -9.626 67 2HG2 THR 9 2HG2 THR 9 -4.884 -10.803 -11.087 68 3HG2 THR 9 3HG2 THR 9 -4.727 -9.048 -11.021 69 H ALA 10 HN ALA 10 -1.547 -7.810 -9.185 70 HA ALA 10 HA ALA 10 1.232 -8.890 -8.805 71 1HB ALA 10 1HB ALA 10 0.354 -6.443 -10.122 72 2HB ALA 10 2HB ALA 10 1.979 -7.126 -10.013 73 3HB ALA 10 3HB ALA 10 1.373 -6.084 -8.727 74 H LYS 11 HN LYS 11 2.047 -8.489 -6.709 75 HA LYS 11 HA LYS 11 -0.011 -7.518 -4.756 76 1HB LYS 11 2HB LYS 11 0.764 -9.818 -4.493 77 2HB LYS 11 1HB LYS 11 2.438 -9.273 -4.484 78 1HG LYS 11 2HG LYS 11 2.061 -8.000 -2.437 79 2HG LYS 11 1HG LYS 11 0.352 -8.438 -2.455 80 1HD LYS 11 2HD LYS 11 0.745 -10.544 -1.685 81 2HD LYS 11 1HD LYS 11 2.248 -10.708 -2.596 82 1HE LYS 11 2HE LYS 11 3.421 -9.273 -0.972 83 2HE LYS 11 1HE LYS 11 1.910 -9.057 -0.064 84 1HZ LYS 11 1HZ LYS 11 2.866 -11.763 -0.734 85 2HZ LYS 11 2HZ LYS 11 1.831 -11.276 0.522 86 3HZ LYS 11 3HZ LYS 11 3.497 -10.958 0.619 87 H LEU 12 HN LEU 12 0.368 -5.422 -4.152 88 HA LEU 12 HA LEU 12 2.861 -4.010 -4.346 89 1HB LEU 12 2HB LEU 12 0.342 -3.285 -3.935 90 2HB LEU 12 1HB LEU 12 0.765 -3.501 -2.253 91 HG LEU 12 HG LEU 12 2.523 -1.856 -2.404 92 1HD1 LEU 12 1HD1 LEU 12 2.751 -0.649 -4.693 93 2HD1 LEU 12 2HD1 LEU 12 1.970 -2.083 -5.361 94 3HD1 LEU 12 3HD1 LEU 12 3.511 -2.231 -4.518 95 1HD2 LEU 12 1HD2 LEU 12 -0.223 -1.291 -3.027 96 2HD2 LEU 12 2HD2 LEU 12 0.795 -0.162 -3.921 97 3HD2 LEU 12 3HD2 LEU 12 0.934 -0.273 -2.167 98 H VAL 13 HN VAL 13 4.634 -4.272 -3.090 99 HA VAL 13 HA VAL 13 4.274 -5.568 -0.412 100 HB VAL 13 HB VAL 13 5.248 -7.177 -1.814 101 1HG1 VAL 13 1HG1 VAL 13 6.370 -4.848 -3.190 102 2HG1 VAL 13 2HG1 VAL 13 5.901 -6.424 -3.834 103 3HG1 VAL 13 3HG1 VAL 13 7.480 -6.213 -3.070 104 1HG2 VAL 13 1HG2 VAL 13 7.470 -5.643 -0.452 105 2HG2 VAL 13 2HG2 VAL 13 7.673 -7.262 -1.123 106 3HG2 VAL 13 3HG2 VAL 13 6.551 -6.995 0.212 107 H SER 14 HN SER 14 5.927 -3.175 -2.374 108 HA SER 14 HA SER 14 6.741 -1.795 0.152 109 1HB SER 14 2HB SER 14 8.442 -3.472 -1.275 110 2HB SER 14 1HB SER 14 8.896 -1.859 -1.814 111 HG SER 14 HG SER 14 8.783 -2.873 0.831 112 H ILE 15 HN ILE 15 6.813 0.440 -0.074 113 HA ILE 15 HA ILE 15 6.374 1.558 -2.827 114 HB ILE 15 HB ILE 15 6.004 2.944 -0.160 115 1HG1 ILE 15 2HG1 ILE 15 4.025 1.351 -1.811 116 2HG1 ILE 15 1HG1 ILE 15 4.560 1.007 -0.169 117 1HG2 ILE 15 1HG2 ILE 15 5.511 3.556 -3.028 118 2HG2 ILE 15 2HG2 ILE 15 5.924 4.642 -1.703 119 3HG2 ILE 15 3HG2 ILE 15 4.262 4.079 -1.900 120 1HD1 ILE 15 1HD1 ILE 15 3.689 3.491 0.251 121 2HD1 ILE 15 2HD1 ILE 15 2.590 2.113 0.313 122 3HD1 ILE 15 3HD1 ILE 15 2.675 3.108 -1.141 123 H ASP 16 HN ASP 16 7.937 2.890 -3.640 124 HA ASP 16 HA ASP 16 10.204 3.675 -1.856 125 1HB ASP 16 2HB ASP 16 9.976 2.970 -4.779 126 2HB ASP 16 1HB ASP 16 11.375 3.848 -4.159 127 H GLU 17 HN GLU 17 9.969 5.838 -1.323 128 HA GLU 17 HA GLU 17 8.540 7.596 -3.267 129 1HB GLU 17 2HB GLU 17 7.666 7.361 -0.974 130 2HB GLU 17 1HB GLU 17 9.217 7.898 -0.325 131 1HG GLU 17 2HG GLU 17 8.960 10.061 -1.485 132 2HG GLU 17 1HG GLU 17 7.408 9.528 -2.133 133 H LYS 18 HN LYS 18 9.893 8.764 -4.565 134 HA LYS 18 HA LYS 18 12.371 9.934 -3.345 135 1HB LYS 18 2HB LYS 18 11.788 9.813 -6.303 136 2HB LYS 18 1HB LYS 18 13.349 9.863 -5.489 137 1HG LYS 18 2HG LYS 18 12.168 7.524 -4.529 138 2HG LYS 18 1HG LYS 18 11.733 7.554 -6.239 139 1HD LYS 18 2HD LYS 18 14.547 8.254 -5.553 140 2HD LYS 18 1HD LYS 18 14.080 6.562 -5.382 141 1HE LYS 18 2HE LYS 18 12.973 7.075 -7.799 142 2HE LYS 18 1HE LYS 18 14.344 8.201 -7.849 143 1HZ LYS 18 1HZ LYS 18 15.791 6.390 -7.118 144 2HZ LYS 18 2HZ LYS 18 15.037 6.015 -8.593 145 3HZ LYS 18 3HZ LYS 18 14.480 5.315 -7.149 146 HA PRO 19 HA PRO 19 9.993 13.677 -3.281 147 1HB PRO 19 2HB PRO 19 12.270 15.340 -3.414 148 2HB PRO 19 1HB PRO 19 11.472 14.769 -1.938 149 1HG PRO 19 2HG PRO 19 13.898 13.743 -3.293 150 2HG PRO 19 1HG PRO 19 13.485 13.766 -1.571 151 1HD PRO 19 2HD PRO 19 13.398 11.506 -3.027 152 2HD PRO 19 1HD PRO 19 12.250 11.819 -1.704 153 H ASN 20 HN ASN 20 12.265 12.734 -5.729 154 HA ASN 20 HA ASN 20 11.467 14.929 -7.570 155 1HB ASN 20 2HB ASN 20 13.039 12.524 -8.432 156 2HB ASN 20 1HB ASN 20 13.275 14.217 -8.856 157 1HD2 ASN 20 1HD2 ASN 20 13.211 15.085 -5.977 158 2HD2 ASN 20 2HD2 ASN 20 14.680 14.569 -5.313 159 H PHE 21 HN PHE 21 11.028 11.488 -7.028 160 HA PHE 21 HA PHE 21 8.596 11.503 -8.726 161 1HB PHE 21 2HB PHE 21 10.946 9.625 -9.154 162 2HB PHE 21 1HB PHE 21 9.436 9.615 -10.063 163 HD1 PHE 21 HD1 PHE 21 8.800 11.685 -11.410 164 HD2 PHE 21 HD2 PHE 21 12.716 11.092 -9.738 165 HE1 PHE 21 HE1 PHE 21 9.720 13.392 -12.960 166 HE2 PHE 21 HE2 PHE 21 13.636 12.799 -11.288 167 HZ PHE 21 HZ PHE 21 12.138 13.949 -12.898 168 H ARG 22 HN ARG 22 7.156 9.764 -8.128 169 HA ARG 22 HA ARG 22 7.895 8.393 -5.586 170 1HB ARG 22 2HB ARG 22 5.800 9.704 -5.713 171 2HB ARG 22 1HB ARG 22 5.250 8.678 -7.036 172 1HG ARG 22 2HG ARG 22 5.268 6.721 -5.595 173 2HG ARG 22 1HG ARG 22 5.961 7.662 -4.273 174 1HD ARG 22 2HD ARG 22 3.943 9.063 -4.173 175 2HD ARG 22 1HD ARG 22 3.240 8.167 -5.535 176 HE ARG 22 HE ARG 22 3.879 6.147 -3.805 177 1HH1 ARG 22 1HH1 ARG 22 2.232 9.168 -3.439 178 2HH1 ARG 22 2HH1 ARG 22 1.231 8.607 -2.144 179 1HH2 ARG 22 1HH2 ARG 22 2.573 5.413 -2.120 180 2HH2 ARG 22 2HH2 ARG 22 1.423 6.487 -1.399 181 H THR 23 HN THR 23 7.924 6.164 -5.464 182 HA THR 23 HA THR 23 7.749 4.661 -8.050 183 HB THR 23 HB THR 23 9.755 4.502 -5.776 184 HG1 THR 23 HG1 THR 23 10.935 5.780 -6.960 185 1HG2 THR 23 1HG2 THR 23 9.038 2.458 -7.427 186 2HG2 THR 23 2HG2 THR 23 10.656 2.651 -6.751 187 3HG2 THR 23 3HG2 THR 23 10.308 3.220 -8.384 188 H HIS 24 HN HIS 24 6.765 2.621 -7.902 189 HA HIS 24 HA HIS 24 6.074 1.659 -5.148 190 1HB HIS 24 2HB HIS 24 4.414 2.488 -7.396 191 2HB HIS 24 1HB HIS 24 4.015 0.863 -6.833 192 HD1 HIS 24 HD1 HIS 24 2.819 4.053 -6.244 193 HD2 HIS 24 HD2 HIS 24 4.311 1.161 -3.642 194 HE1 HIS 24 HE1 HIS 24 1.978 4.660 -3.930 195 H VAL 25 HN VAL 25 6.456 -0.519 -4.822 196 HA VAL 25 HA VAL 25 7.302 -2.113 -7.209 197 HB VAL 25 HB VAL 25 8.048 -2.484 -4.310 198 1HG1 VAL 25 1HG1 VAL 25 8.308 -4.282 -6.245 199 2HG1 VAL 25 2HG1 VAL 25 9.580 -4.057 -5.043 200 3HG1 VAL 25 3HG1 VAL 25 9.730 -3.317 -6.637 201 1HG2 VAL 25 1HG2 VAL 25 10.080 -1.371 -6.124 202 2HG2 VAL 25 2HG2 VAL 25 9.672 -0.899 -4.475 203 3HG2 VAL 25 3HG2 VAL 25 8.728 -0.279 -5.828 204 H VAL 26 HN VAL 26 6.264 -3.965 -7.613 205 HA VAL 26 HA VAL 26 4.288 -4.973 -5.594 206 HB VAL 26 HB VAL 26 2.980 -5.629 -7.597 207 1HG1 VAL 26 1HG1 VAL 26 2.088 -3.554 -7.639 208 2HG1 VAL 26 2HG1 VAL 26 3.520 -2.896 -8.431 209 3HG1 VAL 26 3HG1 VAL 26 3.464 -3.025 -6.672 210 1HG2 VAL 26 1HG2 VAL 26 4.828 -4.100 -9.372 211 2HG2 VAL 26 2HG2 VAL 26 3.793 -5.478 -9.751 212 3HG2 VAL 26 3HG2 VAL 26 5.320 -5.729 -8.907 213 H GLU 27 HN GLU 27 3.821 -7.392 -5.991 214 HA GLU 27 HA GLU 27 6.383 -8.844 -6.406 215 1HB GLU 27 2HB GLU 27 4.637 -8.776 -4.344 216 2HB GLU 27 1HB GLU 27 3.914 -10.060 -5.304 217 1HG GLU 27 2HG GLU 27 5.850 -11.413 -5.167 218 2HG GLU 27 1HG GLU 27 6.852 -10.067 -4.628 219 H LEU 28 HN LEU 28 6.535 -9.731 -8.406 220 HA LEU 28 HA LEU 28 4.209 -9.987 -10.114 221 1HB LEU 28 2HB LEU 28 6.789 -9.388 -10.458 222 2HB LEU 28 1HB LEU 28 6.904 -11.121 -10.743 223 HG LEU 28 HG LEU 28 5.303 -11.000 -12.545 224 1HD1 LEU 28 1HD1 LEU 28 4.618 -8.468 -13.112 225 2HD1 LEU 28 2HD1 LEU 28 4.779 -8.312 -11.362 226 3HD1 LEU 28 3HD1 LEU 28 3.645 -9.480 -12.043 227 1HD2 LEU 28 1HD2 LEU 28 6.502 -9.577 -14.112 228 2HD2 LEU 28 2HD2 LEU 28 7.674 -10.294 -13.007 229 3HD2 LEU 28 3HD2 LEU 28 7.166 -8.619 -12.790 230 HA PRO 29 HA PRO 29 3.358 -14.139 -8.677 231 1HB PRO 29 2HB PRO 29 1.345 -14.604 -10.494 232 2HB PRO 29 1HB PRO 29 1.121 -13.758 -8.955 233 1HG PRO 29 2HG PRO 29 1.408 -12.652 -11.696 234 2HG PRO 29 1HG PRO 29 0.413 -12.086 -10.346 235 1HD PRO 29 2HD PRO 29 2.735 -10.893 -11.074 236 2HD PRO 29 1HD PRO 29 2.132 -10.901 -9.402 237 H ASP 30 HN ASP 30 2.944 -16.297 -9.990 238 HA ASP 30 HA ASP 30 5.328 -16.909 -11.364 239 1HB ASP 30 2HB ASP 30 3.854 -18.505 -10.203 240 2HB ASP 30 1HB ASP 30 2.612 -18.260 -11.431 241 H HIS 31 HN HIS 31 2.099 -16.158 -12.721 242 HA HIS 31 HA HIS 31 3.121 -16.625 -15.439 243 1HB HIS 31 2HB HIS 31 0.775 -16.312 -16.057 244 2HB HIS 31 1HB HIS 31 0.886 -17.375 -14.658 245 HD1 HIS 31 HD1 HIS 31 1.553 -14.404 -13.043 246 HD2 HIS 31 HD2 HIS 31 -1.911 -15.819 -14.876 247 HE1 HIS 31 HE1 HIS 31 -0.374 -13.104 -12.040 248 H MET 32 HN MET 32 3.374 -14.060 -13.400 249 HA MET 32 HA MET 32 3.337 -12.103 -15.677 250 1HB MET 32 2HB MET 32 3.082 -11.787 -12.675 251 2HB MET 32 1HB MET 32 3.330 -10.420 -13.763 252 1HG MET 32 2HG MET 32 1.027 -12.391 -13.903 253 2HG MET 32 1HG MET 32 0.930 -10.740 -13.288 254 1HE MET 32 1HE MET 32 1.748 -8.544 -16.322 255 2HE MET 32 2HE MET 32 2.810 -9.139 -15.049 256 3HE MET 32 3HE MET 32 1.178 -8.612 -14.649 257 H LEU 33 HN LEU 33 5.257 -13.878 -13.441 258 HA LEU 33 HA LEU 33 7.559 -12.144 -13.278 259 1HB LEU 33 2HB LEU 33 6.925 -15.054 -12.852 260 2HB LEU 33 1HB LEU 33 8.604 -14.517 -12.801 261 HG LEU 33 HG LEU 33 6.468 -13.107 -11.189 262 1HD1 LEU 33 1HD1 LEU 33 7.989 -15.640 -10.562 263 2HD1 LEU 33 2HD1 LEU 33 6.267 -15.314 -10.359 264 3HD1 LEU 33 3HD1 LEU 33 7.440 -14.561 -9.278 265 1HD2 LEU 33 1HD2 LEU 33 8.882 -12.240 -11.681 266 2HD2 LEU 33 2HD2 LEU 33 9.385 -13.482 -10.534 267 3HD2 LEU 33 3HD2 LEU 33 8.291 -12.197 -10.020 268 H ASP 34 HN ASP 34 6.441 -14.520 -15.624 269 HA ASP 34 HA ASP 34 8.997 -14.445 -17.116 270 1HB ASP 34 2HB ASP 34 7.672 -16.525 -16.731 271 2HB ASP 34 1HB ASP 34 6.346 -15.820 -17.656 272 H GLY 35 HN GLY 35 9.316 -13.000 -18.770 273 1HA GLY 35 2HA GLY 35 8.545 -12.046 -20.889 274 2HA GLY 35 1HA GLY 35 6.917 -11.978 -20.218 275 H LEU 36 HN LEU 36 7.319 -10.730 -17.787 276 HA LEU 36 HA LEU 36 7.489 -7.987 -18.615 277 1HB LEU 36 2HB LEU 36 6.151 -9.077 -16.732 278 2HB LEU 36 1HB LEU 36 7.649 -9.088 -15.799 279 HG LEU 36 HG LEU 36 6.693 -6.548 -17.097 280 1HD1 LEU 36 1HD1 LEU 36 5.271 -8.006 -15.094 281 2HD1 LEU 36 2HD1 LEU 36 4.929 -6.389 -15.712 282 3HD1 LEU 36 3HD1 LEU 36 5.997 -6.595 -14.324 283 1HD2 LEU 36 1HD2 LEU 36 8.858 -7.380 -15.401 284 2HD2 LEU 36 2HD2 LEU 36 7.861 -6.221 -14.522 285 3HD2 LEU 36 3HD2 LEU 36 8.554 -5.783 -16.085 286 H GLU 37 HN GLU 37 9.110 -6.440 -18.230 287 HA GLU 37 HA GLU 37 11.628 -7.252 -16.888 288 1HB GLU 37 2HB GLU 37 12.925 -6.718 -18.910 289 2HB GLU 37 1HB GLU 37 11.740 -7.973 -19.276 290 1HG GLU 37 2HG GLU 37 10.207 -6.266 -20.185 291 2HG GLU 37 1HG GLU 37 11.392 -5.011 -19.823 292 H THR 38 HN THR 38 13.141 -5.250 -16.828 293 HA THR 38 HA THR 38 11.690 -2.970 -15.835 294 HB THR 38 HB THR 38 14.263 -2.137 -16.382 295 HG1 THR 38 HG1 THR 38 15.327 -4.228 -15.638 296 1HG2 THR 38 1HG2 THR 38 12.915 -3.510 -14.099 297 2HG2 THR 38 2HG2 THR 38 13.549 -1.868 -14.201 298 3HG2 THR 38 3HG2 THR 38 14.653 -3.230 -14.007 299 H GLY 39 HN GLY 39 11.490 -0.860 -16.813 300 1HA GLY 39 2HA GLY 39 11.321 0.688 -18.585 301 2HA GLY 39 1HA GLY 39 12.321 -0.378 -19.568 302 H ALA 40 HN ALA 40 9.975 -2.307 -18.289 303 HA ALA 40 HA ALA 40 8.468 -2.443 -20.797 304 1HB ALA 40 1HB ALA 40 8.365 -3.790 -18.086 305 2HB ALA 40 2HB ALA 40 9.007 -4.459 -19.589 306 3HB ALA 40 3HB ALA 40 7.268 -4.217 -19.401 307 H SER 41 HN SER 41 6.072 -2.145 -20.842 308 HA SER 41 HA SER 41 5.195 -0.036 -18.914 309 1HB SER 41 2HB SER 41 3.275 -0.189 -20.821 310 2HB SER 41 1HB SER 41 4.724 0.792 -20.996 311 HG SER 41 HG SER 41 4.111 -0.874 -22.696 312 H VAL 42 HN VAL 42 4.140 -0.919 -17.185 313 HA VAL 42 HA VAL 42 2.332 -3.258 -17.634 314 HB VAL 42 HB VAL 42 4.000 -2.205 -15.392 315 1HG1 VAL 42 1HG1 VAL 42 2.189 -2.114 -14.015 316 2HG1 VAL 42 2HG1 VAL 42 2.440 -3.859 -13.962 317 3HG1 VAL 42 3HG1 VAL 42 1.222 -3.174 -15.039 318 1HG2 VAL 42 1HG2 VAL 42 3.764 -4.556 -16.948 319 2HG2 VAL 42 2HG2 VAL 42 3.326 -4.985 -15.292 320 3HG2 VAL 42 3HG2 VAL 42 4.895 -4.250 -15.628 321 H ALA 43 HN ALA 43 0.162 -2.836 -17.580 322 HA ALA 43 HA ALA 43 -0.760 -0.167 -16.641 323 1HB ALA 43 1HB ALA 43 -1.737 -0.727 -18.707 324 2HB ALA 43 2HB ALA 43 -2.972 -1.242 -17.559 325 3HB ALA 43 3HB ALA 43 -1.888 -2.432 -18.278 326 H HIS 44 HN HIS 44 -1.335 -0.074 -14.514 327 HA HIS 44 HA HIS 44 -1.953 -2.551 -13.012 328 1HB HIS 44 2HB HIS 44 -1.318 0.326 -12.460 329 2HB HIS 44 1HB HIS 44 -2.201 -0.568 -11.223 330 HD1 HIS 44 HD1 HIS 44 0.424 -2.183 -13.442 331 HD2 HIS 44 HD2 HIS 44 0.000 -0.893 -9.488 332 HE1 HIS 44 HE1 HIS 44 2.445 -3.045 -12.177 333 HE2 HIS 44 HE2 HIS 44 2.194 -2.263 -9.781 334 H ASN 45 HN ASN 45 -3.953 -3.246 -13.391 335 HA ASN 45 HA ASN 45 -6.235 -3.301 -13.847 336 1HB ASN 45 2HB ASN 45 -5.945 -2.006 -11.515 337 2HB ASN 45 1HB ASN 45 -6.650 -0.696 -12.469 338 1HD2 ASN 45 1HD2 ASN 45 -7.335 -3.722 -10.891 339 2HD2 ASN 45 2HD2 ASN 45 -8.950 -3.855 -11.379 340 H GLY 46 HN GLY 46 -4.205 -1.411 -15.404 341 1HA GLY 46 2HA GLY 46 -4.997 -0.942 -17.699 342 2HA GLY 46 1HA GLY 46 -6.403 -0.165 -16.984 343 H CYS 47 HN CYS 47 -3.794 0.767 -15.089 344 HA CYS 47 HA CYS 47 -3.507 3.293 -16.665 345 1HB CYS 47 2HB CYS 47 -4.196 3.301 -14.229 346 2HB CYS 47 1HB CYS 47 -2.611 2.637 -13.837 347 HG CYS 47 HG CYS 47 -1.568 4.863 -14.214 348 H CYS 48 HN CYS 48 -1.836 3.047 -18.124 349 HA CYS 48 HA CYS 48 0.231 1.085 -17.759 350 1HB CYS 48 2HB CYS 48 1.074 2.104 -19.893 351 2HB CYS 48 1HB CYS 48 -0.648 1.719 -19.937 352 HG CYS 48 HG CYS 48 -0.745 4.449 -19.089 353 H LEU 49 HN LEU 49 2.122 1.282 -16.708 354 HA LEU 49 HA LEU 49 3.526 3.896 -16.711 355 1HB LEU 49 2HB LEU 49 4.060 3.464 -14.251 356 2HB LEU 49 1HB LEU 49 2.390 3.911 -14.596 357 HG LEU 49 HG LEU 49 3.035 1.006 -14.668 358 1HD1 LEU 49 1HD1 LEU 49 3.721 0.834 -12.528 359 2HD1 LEU 49 2HD1 LEU 49 2.368 1.820 -11.971 360 3HD1 LEU 49 3HD1 LEU 49 3.869 2.594 -12.493 361 1HD2 LEU 49 1HD2 LEU 49 0.774 0.908 -14.541 362 2HD2 LEU 49 2HD2 LEU 49 0.745 2.669 -14.618 363 3HD2 LEU 49 3HD2 LEU 49 0.780 1.856 -13.054 364 H THR 50 HN THR 50 5.890 3.558 -16.207 365 HA THR 50 HA THR 50 6.703 0.990 -17.456 366 HB THR 50 HB THR 50 8.082 3.660 -17.040 367 HG1 THR 50 HG1 THR 50 6.988 2.388 -19.326 368 1HG2 THR 50 1HG2 THR 50 8.969 1.147 -18.485 369 2HG2 THR 50 2HG2 THR 50 9.791 1.962 -17.154 370 3HG2 THR 50 3HG2 THR 50 9.710 2.728 -18.739 371 H VAL 51 HN VAL 51 8.474 -0.243 -16.655 372 HA VAL 51 HA VAL 51 8.608 -0.433 -13.757 373 HB VAL 51 HB VAL 51 10.261 -1.776 -15.922 374 1HG1 VAL 51 1HG1 VAL 51 9.891 -3.613 -13.971 375 2HG1 VAL 51 2HG1 VAL 51 9.928 -2.136 -13.007 376 3HG1 VAL 51 3HG1 VAL 51 11.293 -2.546 -14.047 377 1HG2 VAL 51 1HG2 VAL 51 7.865 -3.050 -14.707 378 2HG2 VAL 51 2HG2 VAL 51 8.564 -3.245 -16.315 379 3HG2 VAL 51 3HG2 VAL 51 7.609 -1.813 -15.939 380 H THR 52 HN THR 52 9.909 0.893 -12.548 381 HA THR 52 HA THR 52 12.250 2.288 -13.594 382 HB THR 52 HB THR 52 12.503 2.960 -11.269 383 HG1 THR 52 HG1 THR 52 12.205 1.212 -10.073 384 1HG2 THR 52 1HG2 THR 52 9.925 3.028 -12.631 385 2HG2 THR 52 2HG2 THR 52 10.777 4.310 -11.768 386 3HG2 THR 52 3HG2 THR 52 9.766 3.172 -10.881 387 H GLU 53 HN GLU 53 11.638 -0.646 -11.661 388 HA GLU 53 HA GLU 53 14.241 -1.772 -12.470 389 1HB GLU 53 2HB GLU 53 14.838 -0.142 -10.719 390 2HB GLU 53 1HB GLU 53 13.687 -0.899 -9.616 391 1HG GLU 53 2HG GLU 53 15.947 -1.725 -9.151 392 2HG GLU 53 1HG GLU 53 14.950 -3.031 -9.793 393 H ILE 54 HN ILE 54 14.462 -3.991 -11.770 394 HA ILE 54 HA ILE 54 11.955 -5.206 -10.635 395 HB ILE 54 HB ILE 54 14.137 -6.301 -12.447 396 1HG1 ILE 54 2HG1 ILE 54 11.267 -6.385 -13.165 397 2HG1 ILE 54 1HG1 ILE 54 11.979 -4.775 -13.104 398 1HG2 ILE 54 1HG2 ILE 54 12.287 -8.225 -12.475 399 2HG2 ILE 54 2HG2 ILE 54 11.962 -7.600 -10.858 400 3HG2 ILE 54 3HG2 ILE 54 13.568 -8.208 -11.263 401 1HD1 ILE 54 1HD1 ILE 54 13.626 -6.817 -14.474 402 2HD1 ILE 54 2HD1 ILE 54 13.291 -5.146 -14.938 403 3HD1 ILE 54 3HD1 ILE 54 12.112 -6.414 -15.286 404 H ASN 55 HN ASN 55 12.163 -6.093 -8.674 405 HA ASN 55 HA ASN 55 14.899 -6.468 -7.538 406 1HB ASN 55 2HB ASN 55 12.140 -6.033 -6.370 407 2HB ASN 55 1HB ASN 55 13.529 -6.472 -5.375 408 1HD2 ASN 55 1HD2 ASN 55 11.998 -3.857 -7.115 409 2HD2 ASN 55 2HD2 ASN 55 13.152 -2.668 -6.742 410 H GLY 56 HN GLY 56 14.648 -8.486 -9.097 411 1HA GLY 56 2HA GLY 56 14.602 -10.862 -9.078 412 2HA GLY 56 1HA GLY 56 13.946 -10.809 -7.440 413 H ASN 57 HN ASN 57 11.831 -11.390 -7.273 414 HA ASN 57 HA ASN 57 10.186 -11.613 -9.690 415 1HB ASN 57 2HB ASN 57 9.079 -13.118 -8.401 416 2HB ASN 57 1HB ASN 57 10.371 -12.881 -7.246 417 1HD2 ASN 57 1HD2 ASN 57 7.316 -11.357 -8.212 418 2HD2 ASN 57 2HD2 ASN 57 6.826 -10.909 -6.651 419 H HIS 58 HN HIS 58 10.767 -9.280 -7.171 420 HA HIS 58 HA HIS 58 8.194 -7.917 -7.362 421 1HB HIS 58 2HB HIS 58 10.906 -7.408 -6.179 422 2HB HIS 58 1HB HIS 58 9.727 -6.103 -6.231 423 HD1 HIS 58 HD1 HIS 58 10.847 -8.288 -3.835 424 HD2 HIS 58 HD2 HIS 58 6.998 -7.559 -5.276 425 HE1 HIS 58 HE1 HIS 58 9.241 -9.049 -2.033 426 H VAL 59 HN VAL 59 7.955 -5.737 -8.256 427 HA VAL 59 HA VAL 59 10.126 -4.855 -10.066 428 HB VAL 59 HB VAL 59 7.248 -5.398 -10.831 429 1HG1 VAL 59 1HG1 VAL 59 9.366 -3.679 -12.088 430 2HG1 VAL 59 2HG1 VAL 59 7.644 -3.356 -11.915 431 3HG1 VAL 59 3HG1 VAL 59 8.205 -4.520 -13.115 432 1HG2 VAL 59 1HG2 VAL 59 8.251 -7.349 -11.422 433 2HG2 VAL 59 2HG2 VAL 59 9.868 -6.669 -11.229 434 3HG2 VAL 59 3HG2 VAL 59 8.980 -6.424 -12.735 435 H SER 60 HN SER 60 10.525 -2.779 -9.498 436 HA SER 60 HA SER 60 8.518 -1.126 -8.110 437 1HB SER 60 2HB SER 60 11.159 -1.354 -7.854 438 2HB SER 60 1HB SER 60 11.144 -0.132 -9.120 439 HG SER 60 HG SER 60 11.012 0.468 -6.724 440 H PHE 61 HN PHE 61 7.333 0.452 -9.159 441 HA PHE 61 HA PHE 61 7.931 0.938 -12.050 442 1HB PHE 61 2HB PHE 61 5.385 0.825 -10.418 443 2HB PHE 61 1HB PHE 61 5.424 1.562 -12.018 444 HD1 PHE 61 HD1 PHE 61 6.189 0.180 -13.997 445 HD2 PHE 61 HD2 PHE 61 5.333 -1.539 -10.151 446 HE1 PHE 61 HE1 PHE 61 5.985 -2.060 -15.044 447 HE2 PHE 61 HE2 PHE 61 5.131 -3.780 -11.197 448 HZ PHE 61 HZ PHE 61 5.457 -4.041 -13.644 449 H ASP 62 HN ASP 62 7.513 3.166 -12.798 450 HA ASP 62 HA ASP 62 8.134 5.165 -10.691 451 1HB ASP 62 2HB ASP 62 8.571 6.613 -12.660 452 2HB ASP 62 1HB ASP 62 9.436 5.087 -12.800 453 H LEU 63 HN LEU 63 6.878 6.931 -10.269 454 HA LEU 63 HA LEU 63 4.268 7.306 -11.584 455 1HB LEU 63 2HB LEU 63 4.742 5.618 -9.301 456 2HB LEU 63 1HB LEU 63 3.765 6.989 -8.803 457 HG LEU 63 HG LEU 63 2.840 6.003 -11.354 458 1HD1 LEU 63 1HD1 LEU 63 2.641 3.757 -11.055 459 2HD1 LEU 63 2HD1 LEU 63 2.293 3.923 -9.334 460 3HD1 LEU 63 3HD1 LEU 63 3.966 3.964 -9.904 461 1HD2 LEU 63 1HD2 LEU 63 1.271 5.598 -8.846 462 2HD2 LEU 63 2HD2 LEU 63 0.770 6.330 -10.371 463 3HD2 LEU 63 3HD2 LEU 63 1.741 7.253 -9.224 464 H MET 64 HN MET 64 4.002 9.526 -11.579 465 HA MET 64 HA MET 64 5.727 11.163 -9.841 466 1HB MET 64 2HB MET 64 5.188 11.585 -12.285 467 2HB MET 64 1HB MET 64 3.554 12.000 -11.781 468 1HG MET 64 2HG MET 64 4.466 13.761 -10.296 469 2HG MET 64 1HG MET 64 6.091 13.373 -10.863 470 1HE MET 64 1HE MET 64 6.658 13.025 -13.034 471 2HE MET 64 2HE MET 64 6.750 14.522 -13.958 472 3HE MET 64 3HE MET 64 5.632 13.255 -14.457 473 H LYS 65 HN LYS 65 4.947 12.537 -8.168 474 HA LYS 65 HA LYS 65 2.786 11.603 -6.604 475 1HB LYS 65 2HB LYS 65 4.710 12.975 -5.835 476 2HB LYS 65 1HB LYS 65 4.059 14.357 -6.719 477 1HG LYS 65 2HG LYS 65 2.003 14.264 -5.358 478 2HG LYS 65 1HG LYS 65 2.652 12.885 -4.471 479 1HD LYS 65 2HD LYS 65 4.567 14.285 -3.733 480 2HD LYS 65 1HD LYS 65 3.855 15.667 -4.568 481 1HE LYS 65 2HE LYS 65 1.727 15.138 -3.140 482 2HE LYS 65 1HE LYS 65 2.856 14.239 -2.108 483 1HZ LYS 65 1HZ LYS 65 3.656 16.139 -1.318 484 2HZ LYS 65 2HZ LYS 65 2.490 16.996 -2.206 485 3HZ LYS 65 3HZ LYS 65 4.021 16.697 -2.879 486 H GLU 66 HN GLU 66 2.934 14.489 -8.733 487 HA GLU 66 HA GLU 66 0.159 15.191 -8.347 488 1HB GLU 66 2HB GLU 66 1.935 16.752 -9.066 489 2HB GLU 66 1HB GLU 66 2.142 15.834 -10.558 490 1HG GLU 66 2HG GLU 66 0.728 17.762 -11.016 491 2HG GLU 66 1HG GLU 66 -0.254 16.299 -11.118 492 H THR 67 HN THR 67 1.875 13.308 -10.850 493 HA THR 67 HA THR 67 -0.425 12.793 -12.516 494 HB THR 67 HB THR 67 1.994 11.050 -11.948 495 HG1 THR 67 HG1 THR 67 1.593 13.269 -13.660 496 1HG2 THR 67 1HG2 THR 67 0.729 9.717 -13.315 497 2HG2 THR 67 2HG2 THR 67 1.457 10.729 -14.562 498 3HG2 THR 67 3HG2 THR 67 -0.171 11.079 -13.984 499 H LEU 68 HN LEU 68 0.930 11.219 -9.653 500 HA LEU 68 HA LEU 68 -0.759 8.940 -9.517 501 1HB LEU 68 2HB LEU 68 1.311 9.339 -8.223 502 2HB LEU 68 1HB LEU 68 0.527 10.669 -7.375 503 HG LEU 68 HG LEU 68 -1.261 8.574 -7.048 504 1HD1 LEU 68 1HD1 LEU 68 1.499 7.563 -7.394 505 2HD1 LEU 68 2HD1 LEU 68 -0.038 6.713 -7.549 506 3HD1 LEU 68 3HD1 LEU 68 0.664 6.983 -5.954 507 1HD2 LEU 68 1HD2 LEU 68 0.560 10.199 -5.484 508 2HD2 LEU 68 2HD2 LEU 68 0.433 8.577 -4.800 509 3HD2 LEU 68 3HD2 LEU 68 -1.017 9.554 -5.031 510 H ARG 69 HN ARG 69 -1.072 12.193 -8.080 511 HA ARG 69 HA ARG 69 -3.645 11.772 -6.869 512 1HB ARG 69 2HB ARG 69 -2.035 13.537 -6.271 513 2HB ARG 69 1HB ARG 69 -2.226 14.263 -7.867 514 1HG ARG 69 2HG ARG 69 -4.561 14.749 -7.428 515 2HG ARG 69 1HG ARG 69 -4.495 13.877 -5.895 516 1HD ARG 69 2HD ARG 69 -2.894 15.495 -4.996 517 2HD ARG 69 1HD ARG 69 -2.851 16.348 -6.551 518 HE ARG 69 HE ARG 69 -5.040 16.445 -4.606 519 1HH1 ARG 69 1HH1 ARG 69 -4.066 16.740 -7.911 520 2HH1 ARG 69 2HH1 ARG 69 -5.386 17.773 -8.338 521 1HH2 ARG 69 1HH2 ARG 69 -6.766 17.788 -5.160 522 2HH2 ARG 69 2HH2 ARG 69 -6.912 18.364 -6.787 523 H ILE 70 HN ILE 70 -2.653 13.046 -10.047 524 HA ILE 70 HA ILE 70 -5.230 13.872 -10.939 525 HB ILE 70 HB ILE 70 -2.608 13.963 -11.750 526 1HG1 ILE 70 2HG1 ILE 70 -5.021 14.536 -13.484 527 2HG1 ILE 70 1HG1 ILE 70 -4.436 15.590 -12.196 528 1HG2 ILE 70 1HG2 ILE 70 -2.842 11.687 -12.785 529 2HG2 ILE 70 2HG2 ILE 70 -2.397 12.948 -13.932 530 3HG2 ILE 70 3HG2 ILE 70 -4.059 12.361 -13.867 531 1HD1 ILE 70 1HD1 ILE 70 -3.580 16.328 -14.392 532 2HD1 ILE 70 2HD1 ILE 70 -2.843 14.745 -14.636 533 3HD1 ILE 70 3HD1 ILE 70 -2.263 15.799 -13.346 534 H THR 71 HN THR 71 -3.446 10.842 -11.220 535 HA THR 71 HA THR 71 -5.734 9.469 -12.486 536 HB THR 71 HB THR 71 -4.159 7.667 -12.741 537 HG1 THR 71 HG1 THR 71 -2.700 9.078 -10.770 538 1HG2 THR 71 1HG2 THR 71 -2.082 9.692 -13.005 539 2HG2 THR 71 2HG2 THR 71 -3.622 10.237 -13.667 540 3HG2 THR 71 3HG2 THR 71 -2.887 8.744 -14.253 541 H ASN 72 HN ASN 72 -5.935 7.107 -11.347 542 HA ASN 72 HA ASN 72 -6.414 7.592 -8.444 543 1HB ASN 72 2HB ASN 72 -8.387 6.844 -9.469 544 2HB ASN 72 1HB ASN 72 -7.525 5.824 -10.609 545 1HD2 ASN 72 1HD2 ASN 72 -8.594 3.831 -10.098 546 2HD2 ASN 72 2HD2 ASN 72 -8.478 3.093 -8.576 547 H LEU 73 HN LEU 73 -3.778 7.046 -9.918 548 HA LEU 73 HA LEU 73 -2.929 4.356 -9.256 549 1HB LEU 73 2HB LEU 73 -1.517 6.999 -9.724 550 2HB LEU 73 1HB LEU 73 -0.663 5.468 -9.537 551 HG LEU 73 HG LEU 73 -2.780 6.015 -11.647 552 1HD1 LEU 73 1HD1 LEU 73 -0.353 7.129 -11.690 553 2HD1 LEU 73 2HD1 LEU 73 -1.103 6.492 -13.153 554 3HD1 LEU 73 3HD1 LEU 73 0.096 5.532 -12.286 555 1HD2 LEU 73 1HD2 LEU 73 -1.170 3.840 -12.358 556 2HD2 LEU 73 2HD2 LEU 73 -2.825 3.757 -11.756 557 3HD2 LEU 73 3HD2 LEU 73 -1.472 3.611 -10.635 558 H GLY 74 HN GLY 74 -2.786 7.490 -7.556 559 1HA GLY 74 2HA GLY 74 -1.141 6.784 -5.427 560 2HA GLY 74 1HA GLY 74 -2.419 7.985 -5.305 561 H ASP 75 HN ASP 75 -4.426 5.806 -6.036 562 HA ASP 75 HA ASP 75 -5.278 5.261 -3.378 563 1HB ASP 75 2HB ASP 75 -7.012 3.998 -4.480 564 2HB ASP 75 1HB ASP 75 -6.601 5.340 -5.548 565 H LEU 76 HN LEU 76 -2.969 3.628 -5.357 566 HA LEU 76 HA LEU 76 -3.219 0.943 -4.471 567 1HB LEU 76 2HB LEU 76 -0.798 2.590 -5.222 568 2HB LEU 76 1HB LEU 76 -0.808 0.834 -5.116 569 HG LEU 76 HG LEU 76 -2.623 2.457 -6.921 570 1HD1 LEU 76 1HD1 LEU 76 -0.699 2.634 -8.139 571 2HD1 LEU 76 2HD1 LEU 76 -1.038 0.954 -8.555 572 3HD1 LEU 76 3HD1 LEU 76 0.095 1.331 -7.255 573 1HD2 LEU 76 1HD2 LEU 76 -2.334 -0.276 -7.681 574 2HD2 LEU 76 2HD2 LEU 76 -3.788 0.536 -7.098 575 3HD2 LEU 76 3HD2 LEU 76 -2.694 -0.244 -5.953 576 H LYS 77 HN LYS 77 -2.480 -0.125 -2.695 577 HA LYS 77 HA LYS 77 -0.793 1.325 -0.718 578 1HB LYS 77 2HB LYS 77 -3.514 0.093 -0.290 579 2HB LYS 77 1HB LYS 77 -2.386 0.312 1.051 580 1HG LYS 77 2HG LYS 77 -3.006 2.588 -0.812 581 2HG LYS 77 1HG LYS 77 -4.074 2.225 0.545 582 1HD LYS 77 2HD LYS 77 -2.193 2.443 2.107 583 2HD LYS 77 1HD LYS 77 -1.093 2.746 0.761 584 1HE LYS 77 2HE LYS 77 -2.378 4.787 0.173 585 2HE LYS 77 1HE LYS 77 -3.450 4.496 1.558 586 1HZ LYS 77 1HZ LYS 77 -1.702 4.740 3.062 587 2HZ LYS 77 2HZ LYS 77 -1.434 5.990 1.942 588 3HZ LYS 77 3HZ LYS 77 -0.510 4.565 1.867 589 H VAL 78 HN VAL 78 0.616 -0.026 0.366 590 HA VAL 78 HA VAL 78 1.319 -2.483 -0.877 591 HB VAL 78 HB VAL 78 1.960 -1.502 1.924 592 1HG1 VAL 78 1HG1 VAL 78 4.110 -2.781 0.493 593 2HG1 VAL 78 2HG1 VAL 78 2.693 -3.844 0.500 594 3HG1 VAL 78 3HG1 VAL 78 3.367 -3.257 2.023 595 1HG2 VAL 78 1HG2 VAL 78 2.330 -0.120 -0.416 596 2HG2 VAL 78 2HG2 VAL 78 3.842 -1.019 -0.291 597 3HG2 VAL 78 3HG2 VAL 78 3.345 0.056 1.016 598 H GLY 79 HN GLY 79 1.053 -4.642 -0.175 599 1HA GLY 79 2HA GLY 79 0.097 -6.397 1.146 600 2HA GLY 79 1HA GLY 79 -0.810 -5.184 2.054 601 H ASP 80 HN ASP 80 -1.323 -3.994 -0.821 602 HA ASP 80 HA ASP 80 -3.793 -5.592 -1.316 603 1HB ASP 80 2HB ASP 80 -3.703 -3.050 -1.036 604 2HB ASP 80 1HB ASP 80 -2.867 -3.000 -2.584 605 H TRP 81 HN TRP 81 -4.272 -6.093 -3.639 606 HA TRP 81 HA TRP 81 -1.748 -6.570 -5.192 607 1HB TRP 81 2HB TRP 81 -4.353 -8.095 -4.984 608 2HB TRP 81 1HB TRP 81 -3.194 -8.397 -6.271 609 HD1 TRP 81 HD1 TRP 81 -2.658 -7.804 -2.477 610 HE1 TRP 81 HE1 TRP 81 -1.178 -9.702 -1.578 611 HE3 TRP 81 HE3 TRP 81 -2.139 -10.599 -6.721 612 HZ2 TRP 81 HZ2 TRP 81 0.057 -12.102 -2.521 613 HZ3 TRP 81 HZ3 TRP 81 -0.805 -12.691 -6.691 614 HH2 TRP 81 HH2 TRP 81 0.293 -13.443 -4.595 615 H VAL 82 HN VAL 82 -2.044 -6.429 -7.561 616 HA VAL 82 HA VAL 82 -4.150 -4.471 -8.371 617 HB VAL 82 HB VAL 82 -2.126 -3.247 -8.075 618 1HG1 VAL 82 1HG1 VAL 82 -0.331 -4.623 -7.766 619 2HG1 VAL 82 2HG1 VAL 82 -0.086 -4.372 -9.496 620 3HG1 VAL 82 3HG1 VAL 82 -0.928 -5.812 -8.925 621 1HG2 VAL 82 1HG2 VAL 82 -1.617 -3.946 -10.919 622 2HG2 VAL 82 2HG2 VAL 82 -1.864 -2.362 -10.180 623 3HG2 VAL 82 3HG2 VAL 82 -3.249 -3.397 -10.531 624 H ASN 83 HN ASN 83 -5.044 -4.846 -10.370 625 HA ASN 83 HA ASN 83 -4.538 -7.283 -11.874 626 1HB ASN 83 2HB ASN 83 -6.268 -4.912 -11.862 627 2HB ASN 83 1HB ASN 83 -5.826 -5.398 -13.488 628 1HD2 ASN 83 1HD2 ASN 83 -5.650 -8.273 -12.966 629 2HD2 ASN 83 2HD2 ASN 83 -7.226 -8.822 -12.674 630 H VAL 84 HN VAL 84 -2.409 -7.360 -12.700 631 HA VAL 84 HA VAL 84 -1.424 -4.895 -14.057 632 HB VAL 84 HB VAL 84 0.771 -6.407 -13.956 633 1HG1 VAL 84 1HG1 VAL 84 1.389 -5.117 -12.087 634 2HG1 VAL 84 2HG1 VAL 84 -0.242 -5.146 -11.412 635 3HG1 VAL 84 3HG1 VAL 84 0.106 -4.175 -12.847 636 1HG2 VAL 84 1HG2 VAL 84 -0.496 -8.359 -12.988 637 2HG2 VAL 84 2HG2 VAL 84 -0.824 -7.374 -11.561 638 3HG2 VAL 84 3HG2 VAL 84 0.836 -7.806 -11.971 639 H GLU 85 HN GLU 85 -0.969 -4.861 -16.160 640 HA GLU 85 HA GLU 85 -1.138 -7.426 -17.726 641 1HB GLU 85 2HB GLU 85 -3.250 -6.049 -17.732 642 2HB GLU 85 1HB GLU 85 -2.333 -4.739 -18.479 643 1HG GLU 85 2HG GLU 85 -1.848 -6.085 -20.421 644 2HG GLU 85 1HG GLU 85 -2.516 -7.526 -19.653 645 H ARG 86 HN ARG 86 0.564 -7.642 -19.151 646 HA ARG 86 HA ARG 86 2.704 -5.714 -19.133 647 1HB ARG 86 2HB ARG 86 2.935 -8.175 -19.351 648 2HB ARG 86 1HB ARG 86 2.167 -8.095 -20.936 649 1HG ARG 86 2HG ARG 86 3.973 -6.619 -21.742 650 2HG ARG 86 1HG ARG 86 4.746 -6.702 -20.159 651 1HD ARG 86 2HD ARG 86 5.014 -9.149 -20.406 652 2HD ARG 86 1HD ARG 86 4.246 -9.067 -22.004 653 HE ARG 86 HE ARG 86 6.434 -7.172 -21.754 654 1HH1 ARG 86 1HH1 ARG 86 5.568 -10.465 -22.357 655 2HH1 ARG 86 2HH1 ARG 86 6.988 -10.799 -23.289 656 1HH2 ARG 86 1HH2 ARG 86 8.286 -7.601 -22.967 657 2HH2 ARG 86 2HH2 ARG 86 8.524 -9.182 -23.634 658 H ALA 87 HN ALA 87 3.255 -4.162 -20.638 659 HA ALA 87 HA ALA 87 1.688 -4.002 -23.180 660 1HB ALA 87 1HB ALA 87 1.350 -2.363 -20.981 661 2HB ALA 87 2HB ALA 87 0.937 -1.922 -22.639 662 3HB ALA 87 3HB ALA 87 2.493 -1.446 -21.964 663 H ALA 88 HN ALA 88 2.908 -3.135 -24.942 664 HA ALA 88 HA ALA 88 5.865 -3.118 -24.450 665 1HB ALA 88 1HB ALA 88 4.981 -5.027 -25.704 666 2HB ALA 88 2HB ALA 88 5.944 -4.013 -26.779 667 3HB ALA 88 3HB ALA 88 4.182 -3.939 -26.837 668 H LYS 89 HN LYS 89 7.108 -1.485 -25.338 669 HA LYS 89 HA LYS 89 5.969 1.057 -25.900 670 1HB LYS 89 2HB LYS 89 8.652 -0.149 -26.660 671 2HB LYS 89 1HB LYS 89 8.293 1.578 -26.599 672 1HG LYS 89 2HG LYS 89 8.215 -0.364 -24.273 673 2HG LYS 89 1HG LYS 89 9.381 0.936 -24.520 674 1HD LYS 89 2HD LYS 89 7.479 2.572 -24.455 675 2HD LYS 89 1HD LYS 89 6.406 1.235 -24.031 676 1HE LYS 89 2HE LYS 89 7.156 1.170 -21.876 677 2HE LYS 89 1HE LYS 89 8.845 1.408 -22.366 678 1HZ LYS 89 1HZ LYS 89 6.789 3.542 -22.511 679 2HZ LYS 89 2HZ LYS 89 8.468 3.709 -22.712 680 3HZ LYS 89 3HZ LYS 89 7.824 3.345 -21.182 681 H PHE 90 HN PHE 90 7.097 -1.522 -28.095 682 HA PHE 90 HA PHE 90 5.917 0.025 -30.379 683 1HB PHE 90 2HB PHE 90 7.654 -0.985 -31.737 684 2HB PHE 90 1HB PHE 90 8.417 -0.319 -30.294 685 HD1 PHE 90 HD1 PHE 90 7.406 -3.400 -32.039 686 HD2 PHE 90 HD2 PHE 90 9.276 -1.777 -28.525 687 HE1 PHE 90 HE1 PHE 90 8.299 -5.646 -31.476 688 HE2 PHE 90 HE2 PHE 90 10.168 -4.024 -27.962 689 HZ PHE 90 HZ PHE 90 9.679 -5.958 -29.437 690 H SER 91 HN SER 91 5.003 -1.370 -32.120 691 HA SER 91 HA SER 91 3.566 -3.680 -30.897 692 1HB SER 91 2HB SER 91 3.068 -1.725 -33.138 693 2HB SER 91 1HB SER 91 2.108 -3.195 -32.997 694 HG SER 91 HG SER 91 1.244 -1.324 -31.884 695 H ASP 92 HN ASP 92 3.932 -5.729 -31.645 696 HA ASP 92 HA ASP 92 5.992 -6.389 -33.520 697 1HB ASP 92 2HB ASP 92 3.596 -7.866 -32.395 698 2HB ASP 92 1HB ASP 92 4.833 -8.652 -33.378 699 H GLU 93 HN GLU 93 2.475 -6.069 -33.846 700 HA GLU 93 HA GLU 93 1.070 -6.297 -35.817 701 1HB GLU 93 2HB GLU 93 1.880 -4.678 -37.551 702 2HB GLU 93 1HB GLU 93 1.908 -4.011 -35.922 703 1HG GLU 93 2HG GLU 93 4.294 -4.352 -35.751 704 2HG GLU 93 1HG GLU 93 4.323 -5.245 -37.273 705 H ILE 94 HN ILE 94 2.414 -8.635 -35.593 706 HA ILE 94 HA ILE 94 4.046 -9.335 -37.881 707 HB ILE 94 HB ILE 94 2.315 -10.977 -36.004 708 1HG1 ILE 94 2HG1 ILE 94 3.977 -9.649 -34.797 709 2HG1 ILE 94 1HG1 ILE 94 4.477 -11.340 -34.810 710 1HG2 ILE 94 1HG2 ILE 94 4.360 -12.598 -36.706 711 2HG2 ILE 94 2HG2 ILE 94 4.208 -11.658 -38.190 712 3HG2 ILE 94 3HG2 ILE 94 2.826 -12.564 -37.575 713 1HD1 ILE 94 1HD1 ILE 94 5.637 -9.010 -36.283 714 2HD1 ILE 94 2HD1 ILE 94 5.720 -10.601 -37.037 715 3HD1 ILE 94 3HD1 ILE 94 6.459 -10.335 -35.459 716 H GLY 95 HN GLY 95 0.571 -9.573 -37.134 717 1HA GLY 95 2HA GLY 95 -1.101 -9.372 -38.937 718 2HA GLY 95 1HA GLY 95 0.068 -10.121 -40.027 719 H GLY 96 HN GLY 96 0.307 -12.385 -40.002 720 1HA GLY 96 2HA GLY 96 -0.107 -14.611 -39.286 721 2HA GLY 96 1HA GLY 96 -1.069 -13.971 -37.953 722 H HIS 97 HN HIS 97 -2.500 -15.837 -38.739 723 HA HIS 97 HA HIS 97 -4.473 -16.544 -39.832 724 1HB HIS 97 2HB HIS 97 -4.529 -13.528 -39.953 725 2HB HIS 97 1HB HIS 97 -5.855 -14.488 -40.607 726 HD1 HIS 97 HD1 HIS 97 -7.289 -15.863 -38.926 727 HD2 HIS 97 HD2 HIS 97 -4.326 -13.557 -37.114 728 HE1 HIS 97 HE1 HIS 97 -7.812 -15.844 -36.448 729 1H MET 1 1HT MET 1 0.364 -0.932 -28.175 730 2H MET 1 2HT MET 1 1.027 -0.101 -29.499 731 3H MET 1 3HT MET 1 -0.410 -0.987 -29.683 732 HA MET 1 HA MET 1 0.003 1.668 -28.531 733 1HB MET 1 2HB MET 1 -2.081 0.144 -30.121 734 2HB MET 1 1HB MET 1 -2.300 1.818 -29.610 735 1HG MET 1 2HG MET 1 -0.238 2.456 -30.806 736 2HG MET 1 1HG MET 1 -0.018 0.783 -31.320 737 1HE MET 1 1HE MET 1 -3.493 0.097 -32.328 738 2HE MET 1 2HE MET 1 -1.876 -0.523 -32.006 739 3HE MET 1 3HE MET 1 -2.367 -0.185 -33.663 740 H PHE 2 HN PHE 2 -0.771 2.192 -26.514 741 HA PHE 2 HA PHE 2 -3.216 1.113 -25.459 742 1HB PHE 2 2HB PHE 2 -2.268 -0.225 -23.651 743 2HB PHE 2 1HB PHE 2 -1.652 -0.832 -25.185 744 HD1 PHE 2 HD1 PHE 2 -0.794 1.655 -22.500 745 HD2 PHE 2 HD2 PHE 2 0.662 -1.138 -25.429 746 HE1 PHE 2 HE1 PHE 2 1.525 2.041 -21.715 747 HE2 PHE 2 HE2 PHE 2 2.984 -0.747 -24.642 748 HZ PHE 2 HZ PHE 2 3.414 0.847 -22.787 749 H THR 3 HN THR 3 -3.851 2.350 -23.612 750 HA THR 3 HA THR 3 -1.847 4.202 -22.453 751 HB THR 3 HB THR 3 -3.054 6.142 -23.112 752 HG1 THR 3 HG1 THR 3 -5.187 4.770 -24.233 753 1HG2 THR 3 1HG2 THR 3 -3.619 4.362 -25.483 754 2HG2 THR 3 2HG2 THR 3 -1.963 4.765 -25.033 755 3HG2 THR 3 3HG2 THR 3 -3.096 6.045 -25.472 756 H GLY 4 HN GLY 4 -5.160 2.900 -22.465 757 1HA GLY 4 2HA GLY 4 -6.727 2.710 -20.730 758 2HA GLY 4 1HA GLY 4 -5.331 2.240 -19.762 759 H ILE 5 HN ILE 5 -5.436 5.351 -21.301 760 HA ILE 5 HA ILE 5 -5.132 6.689 -18.704 761 HB ILE 5 HB ILE 5 -5.559 7.852 -21.478 762 1HG1 ILE 5 2HG1 ILE 5 -3.765 6.123 -21.415 763 2HG1 ILE 5 1HG1 ILE 5 -3.148 7.736 -21.752 764 1HG2 ILE 5 1HG2 ILE 5 -3.651 9.302 -20.025 765 2HG2 ILE 5 2HG2 ILE 5 -4.935 8.954 -18.863 766 3HG2 ILE 5 3HG2 ILE 5 -5.312 9.795 -20.366 767 1HD1 ILE 5 1HD1 ILE 5 -3.101 6.299 -19.082 768 2HD1 ILE 5 2HD1 ILE 5 -2.580 7.963 -19.328 769 3HD1 ILE 5 3HD1 ILE 5 -1.709 6.642 -20.111 770 H VAL 6 HN VAL 6 -6.773 7.552 -17.501 771 HA VAL 6 HA VAL 6 -9.509 7.091 -18.456 772 HB VAL 6 HB VAL 6 -8.051 7.509 -15.886 773 1HG1 VAL 6 1HG1 VAL 6 -10.321 7.633 -14.718 774 2HG1 VAL 6 2HG1 VAL 6 -10.995 8.097 -16.280 775 3HG1 VAL 6 3HG1 VAL 6 -9.786 9.119 -15.503 776 1HG2 VAL 6 1HG2 VAL 6 -8.407 5.263 -16.274 777 2HG2 VAL 6 2HG2 VAL 6 -9.894 5.555 -17.179 778 3HG2 VAL 6 3HG2 VAL 6 -9.904 5.642 -15.419 779 H GLN 7 HN GLN 7 -11.063 8.622 -18.798 780 HA GLN 7 HA GLN 7 -10.325 11.374 -19.300 781 1HB GLN 7 2HB GLN 7 -12.969 9.906 -19.070 782 2HB GLN 7 1HB GLN 7 -12.800 11.552 -19.680 783 1HG GLN 7 2HG GLN 7 -11.355 9.158 -20.851 784 2HG GLN 7 1HG GLN 7 -12.864 9.810 -21.492 785 1HE2 GLN 7 1HE2 GLN 7 -9.912 9.790 -22.530 786 2HE2 GLN 7 2HE2 GLN 7 -9.654 11.406 -22.982 787 H GLY 8 HN GLY 8 -11.929 9.690 -16.578 788 1HA GLY 8 2HA GLY 8 -11.650 12.155 -14.948 789 2HA GLY 8 1HA GLY 8 -13.296 11.634 -15.297 790 H THR 9 HN THR 9 -12.673 11.726 -12.683 791 HA THR 9 HA THR 9 -11.965 8.914 -11.923 792 HB THR 9 HB THR 9 -11.370 10.120 -9.723 793 HG1 THR 9 HG1 THR 9 -11.871 12.140 -9.709 794 1HG2 THR 9 1HG2 THR 9 -9.836 9.402 -11.729 795 2HG2 THR 9 2HG2 THR 9 -9.192 10.464 -10.477 796 3HG2 THR 9 3HG2 THR 9 -9.725 11.138 -12.017 797 H ALA 10 HN ALA 10 -12.948 8.318 -9.720 798 HA ALA 10 HA ALA 10 -15.729 9.412 -9.353 799 1HB ALA 10 1HB ALA 10 -16.484 7.547 -10.393 800 2HB ALA 10 2HB ALA 10 -15.866 6.632 -9.018 801 3HB ALA 10 3HB ALA 10 -14.863 6.850 -10.457 802 H LYS 11 HN LYS 11 -16.478 9.191 -7.201 803 HA LYS 11 HA LYS 11 -14.352 8.423 -5.237 804 1HB LYS 11 2HB LYS 11 -15.143 10.733 -5.161 805 2HB LYS 11 1HB LYS 11 -16.810 10.178 -5.050 806 1HG LYS 11 2HG LYS 11 -16.357 9.099 -2.908 807 2HG LYS 11 1HG LYS 11 -14.654 9.547 -3.020 808 1HD LYS 11 2HD LYS 11 -15.046 11.712 -2.431 809 2HD LYS 11 1HD LYS 11 -16.577 11.780 -3.307 810 1HE LYS 11 2HE LYS 11 -17.685 10.490 -1.524 811 2HE LYS 11 1HE LYS 11 -16.146 10.369 -0.647 812 1HZ LYS 11 1HZ LYS 11 -17.742 12.315 -0.104 813 2HZ LYS 11 2HZ LYS 11 -17.130 12.999 -1.534 814 3HZ LYS 11 3HZ LYS 11 -16.081 12.625 -0.251 815 H LEU 12 HN LEU 12 -14.681 6.390 -4.432 816 HA LEU 12 HA LEU 12 -17.170 4.947 -4.420 817 1HB LEU 12 2HB LEU 12 -14.634 4.281 -4.026 818 2HB LEU 12 1HB LEU 12 -15.007 4.646 -2.358 819 HG LEU 12 HG LEU 12 -16.752 2.982 -2.303 820 1HD1 LEU 12 1HD1 LEU 12 -17.845 3.076 -4.367 821 2HD1 LEU 12 2HD1 LEU 12 -16.954 1.562 -4.514 822 3HD1 LEU 12 3HD1 LEU 12 -16.337 3.025 -5.280 823 1HD2 LEU 12 1HD2 LEU 12 -14.021 2.382 -2.959 824 2HD2 LEU 12 2HD2 LEU 12 -15.054 1.168 -3.712 825 3HD2 LEU 12 3HD2 LEU 12 -15.139 1.439 -1.972 826 H VAL 13 HN VAL 13 -18.907 5.314 -3.143 827 HA VAL 13 HA VAL 13 -18.482 6.846 -0.604 828 HB VAL 13 HB VAL 13 -19.516 8.312 -2.113 829 1HG1 VAL 13 1HG1 VAL 13 -20.649 5.860 -3.241 830 2HG1 VAL 13 2HG1 VAL 13 -20.225 7.378 -4.036 831 3HG1 VAL 13 3HG1 VAL 13 -21.774 7.217 -3.206 832 1HG2 VAL 13 1HG2 VAL 13 -21.686 6.892 -0.558 833 2HG2 VAL 13 2HG2 VAL 13 -21.911 8.450 -1.354 834 3HG2 VAL 13 3HG2 VAL 13 -20.752 8.293 -0.035 835 H SER 14 HN SER 14 -20.175 4.271 -2.275 836 HA SER 14 HA SER 14 -20.891 3.118 0.379 837 1HB SER 14 2HB SER 14 -22.651 4.646 -1.141 838 2HB SER 14 1HB SER 14 -23.104 2.986 -1.517 839 HG SER 14 HG SER 14 -23.954 2.881 0.391 840 H ILE 15 HN ILE 15 -20.945 0.873 0.358 841 HA ILE 15 HA ILE 15 -20.576 -0.487 -2.294 842 HB ILE 15 HB ILE 15 -20.112 -1.622 0.475 843 1HG1 ILE 15 2HG1 ILE 15 -18.201 -0.170 -1.374 844 2HG1 ILE 15 1HG1 ILE 15 -18.690 0.317 0.246 845 1HG2 ILE 15 1HG2 ILE 15 -19.700 -2.490 -2.341 846 2HG2 ILE 15 2HG2 ILE 15 -20.059 -3.454 -0.909 847 3HG2 ILE 15 3HG2 ILE 15 -18.410 -2.897 -1.207 848 1HD1 ILE 15 1HD1 ILE 15 -16.657 -0.716 0.706 849 2HD1 ILE 15 2HD1 ILE 15 -16.855 -1.901 -0.585 850 3HD1 ILE 15 3HD1 ILE 15 -17.773 -2.067 0.912 851 H ASP 16 HN ASP 16 -22.144 -1.905 -2.944 852 HA ASP 16 HA ASP 16 -24.350 -2.538 -1.016 853 1HB ASP 16 2HB ASP 16 -24.223 -2.101 -3.997 854 2HB ASP 16 1HB ASP 16 -25.593 -2.929 -3.254 855 H GLU 17 HN GLU 17 -24.079 -4.641 -0.297 856 HA GLU 17 HA GLU 17 -22.691 -6.558 -2.115 857 1HB GLU 17 2HB GLU 17 -21.750 -6.108 0.119 858 2HB GLU 17 1HB GLU 17 -23.275 -6.597 0.862 859 1HG GLU 17 2HG GLU 17 -23.029 -8.854 -0.104 860 2HG GLU 17 1HG GLU 17 -21.503 -8.370 -0.846 861 H LYS 18 HN LYS 18 -24.063 -7.849 -3.258 862 HA LYS 18 HA LYS 18 -26.496 -8.925 -1.862 863 1HB LYS 18 2HB LYS 18 -26.006 -9.067 -4.836 864 2HB LYS 18 1HB LYS 18 -27.540 -9.055 -3.971 865 1HG LYS 18 2HG LYS 18 -26.357 -6.631 -3.265 866 2HG LYS 18 1HG LYS 18 -25.973 -6.812 -4.978 867 1HD LYS 18 2HD LYS 18 -28.757 -7.470 -4.144 868 2HD LYS 18 1HD LYS 18 -28.303 -5.765 -4.141 869 1HE LYS 18 2HE LYS 18 -27.265 -6.487 -6.536 870 2HE LYS 18 1HE LYS 18 -28.625 -7.625 -6.440 871 1HZ LYS 18 1HZ LYS 18 -29.817 -5.477 -5.524 872 2HZ LYS 18 2HZ LYS 18 -29.732 -5.798 -7.191 873 3HZ LYS 18 3HZ LYS 18 -28.652 -4.698 -6.476 874 HA PRO 19 HA PRO 19 -24.078 -12.626 -1.532 875 1HB PRO 19 2HB PRO 19 -26.341 -14.313 -1.442 876 2HB PRO 19 1HB PRO 19 -25.504 -13.603 -0.050 877 1HG PRO 19 2HG PRO 19 -27.980 -12.724 -1.416 878 2HG PRO 19 1HG PRO 19 -27.516 -12.587 0.287 879 1HD PRO 19 2HD PRO 19 -27.497 -10.468 -1.371 880 2HD PRO 19 1HD PRO 19 -26.306 -10.650 -0.061 881 H ASN 20 HN ASN 20 -26.433 -11.928 -3.984 882 HA ASN 20 HA ASN 20 -25.670 -14.276 -5.642 883 1HB ASN 20 2HB ASN 20 -27.291 -11.972 -6.669 884 2HB ASN 20 1HB ASN 20 -27.522 -13.696 -6.931 885 1HD2 ASN 20 1HD2 ASN 20 -27.361 -14.300 -3.987 886 2HD2 ASN 20 2HD2 ASN 20 -28.815 -13.738 -3.327 887 H PHE 21 HN PHE 21 -25.266 -10.792 -5.437 888 HA PHE 21 HA PHE 21 -22.873 -10.947 -7.193 889 1HB PHE 21 2HB PHE 21 -25.254 -9.134 -7.716 890 2HB PHE 21 1HB PHE 21 -23.771 -9.194 -8.669 891 HD1 PHE 21 HD1 PHE 21 -23.154 -11.374 -9.841 892 HD2 PHE 21 HD2 PHE 21 -27.024 -10.662 -8.109 893 HE1 PHE 21 HE1 PHE 21 -24.103 -13.222 -11.201 894 HE2 PHE 21 HE2 PHE 21 -27.972 -12.511 -9.467 895 HZ PHE 21 HZ PHE 21 -26.512 -13.790 -11.013 896 H ARG 22 HN ARG 22 -21.432 -9.150 -6.801 897 HA ARG 22 HA ARG 22 -22.108 -7.558 -4.371 898 1HB ARG 22 2HB ARG 22 -20.004 -8.858 -4.445 899 2HB ARG 22 1HB ARG 22 -19.506 -7.953 -5.872 900 1HG ARG 22 2HG ARG 22 -19.500 -5.872 -4.615 901 2HG ARG 22 1HG ARG 22 -20.143 -6.695 -3.192 902 1HD ARG 22 2HD ARG 22 -18.108 -8.064 -3.028 903 2HD ARG 22 1HD ARG 22 -17.456 -7.292 -4.487 904 HE ARG 22 HE ARG 22 -18.064 -5.127 -2.929 905 1HH1 ARG 22 1HH1 ARG 22 -16.375 -8.089 -2.342 906 2HH1 ARG 22 2HH1 ARG 22 -15.341 -7.405 -1.134 907 1HH2 ARG 22 1HH2 ARG 22 -16.716 -4.233 -1.358 908 2HH2 ARG 22 2HH2 ARG 22 -15.532 -5.227 -0.579 909 H THR 23 HN THR 23 -22.163 -5.325 -4.441 910 HA THR 23 HA THR 23 -22.075 -4.067 -7.166 911 HB THR 23 HB THR 23 -24.017 -3.716 -4.856 912 HG1 THR 23 HG1 THR 23 -24.471 -5.597 -5.876 913 1HG2 THR 23 1HG2 THR 23 -23.391 -1.785 -6.619 914 2HG2 THR 23 2HG2 THR 23 -25.034 -2.017 -6.018 915 3HG2 THR 23 3HG2 THR 23 -24.569 -2.669 -7.590 916 H HIS 24 HN HIS 24 -21.107 -2.014 -7.242 917 HA HIS 24 HA HIS 24 -20.348 -0.797 -4.605 918 1HB HIS 24 2HB HIS 24 -18.744 -1.814 -6.820 919 2HB HIS 24 1HB HIS 24 -18.347 -0.141 -6.416 920 HD1 HIS 24 HD1 HIS 24 -17.102 -3.256 -5.580 921 HD2 HIS 24 HD2 HIS 24 -18.542 -0.150 -3.206 922 HE1 HIS 24 HE1 HIS 24 -16.184 -3.643 -3.248 923 H VAL 25 HN VAL 25 -20.739 1.398 -4.460 924 HA VAL 25 HA VAL 25 -21.679 2.762 -6.959 925 HB VAL 25 HB VAL 25 -22.340 3.390 -4.084 926 1HG1 VAL 25 1HG1 VAL 25 -23.960 4.016 -6.548 927 2HG1 VAL 25 2HG1 VAL 25 -22.673 5.090 -5.998 928 3HG1 VAL 25 3HG1 VAL 25 -24.057 4.764 -4.954 929 1HG2 VAL 25 1HG2 VAL 25 -23.728 1.614 -4.035 930 2HG2 VAL 25 2HG2 VAL 25 -23.129 1.123 -5.620 931 3HG2 VAL 25 3HG2 VAL 25 -24.528 2.190 -5.497 932 H VAL 26 HN VAL 26 -20.677 4.586 -7.561 933 HA VAL 26 HA VAL 26 -18.648 5.779 -5.705 934 HB VAL 26 HB VAL 26 -17.407 6.262 -7.801 935 1HG1 VAL 26 1HG1 VAL 26 -16.530 4.152 -7.897 936 2HG1 VAL 26 2HG1 VAL 26 -18.098 3.410 -8.215 937 3HG1 VAL 26 3HG1 VAL 26 -17.644 3.841 -6.566 938 1HG2 VAL 26 1HG2 VAL 26 -19.796 6.211 -9.036 939 2HG2 VAL 26 2HG2 VAL 26 -19.280 4.560 -9.378 940 3HG2 VAL 26 3HG2 VAL 26 -18.287 5.921 -9.902 941 H GLU 27 HN GLU 27 -18.210 8.155 -6.332 942 HA GLU 27 HA GLU 27 -20.806 9.543 -6.801 943 1HB GLU 27 2HB GLU 27 -18.997 9.679 -4.796 944 2HB GLU 27 1HB GLU 27 -18.318 10.875 -5.892 945 1HG GLU 27 2HG GLU 27 -20.263 12.220 -5.818 946 2HG GLU 27 1HG GLU 27 -21.234 10.920 -5.127 947 H LEU 28 HN LEU 28 -21.031 10.243 -8.863 948 HA LEU 28 HA LEU 28 -18.759 10.362 -10.664 949 1HB LEU 28 2HB LEU 28 -21.342 9.713 -10.871 950 2HB LEU 28 1HB LEU 28 -21.485 11.412 -11.308 951 HG LEU 28 HG LEU 28 -19.939 11.140 -13.143 952 1HD1 LEU 28 1HD1 LEU 28 -18.246 9.680 -12.680 953 2HD1 LEU 28 2HD1 LEU 28 -19.317 8.498 -13.432 954 3HD1 LEU 28 3HD1 LEU 28 -19.275 8.658 -11.676 955 1HD2 LEU 28 1HD2 LEU 28 -21.798 10.424 -14.227 956 2HD2 LEU 28 2HD2 LEU 28 -22.305 9.448 -12.852 957 3HD2 LEU 28 3HD2 LEU 28 -21.161 8.795 -14.022 958 HA PRO 29 HA PRO 29 -17.908 14.634 -9.637 959 1HB PRO 29 2HB PRO 29 -15.958 14.947 -11.552 960 2HB PRO 29 1HB PRO 29 -15.677 14.247 -9.950 961 1HG PRO 29 2HG PRO 29 -16.036 12.893 -12.567 962 2HG PRO 29 1HG PRO 29 -14.995 12.461 -11.203 963 1HD PRO 29 2HD PRO 29 -17.326 11.188 -11.747 964 2HD PRO 29 1HD PRO 29 -16.671 11.353 -10.103 965 H ASP 30 HN ASP 30 -17.559 16.666 -11.153 966 HA ASP 30 HA ASP 30 -19.989 17.131 -12.501 967 1HB ASP 30 2HB ASP 30 -18.499 18.839 -11.537 968 2HB ASP 30 1HB ASP 30 -17.291 18.493 -12.775 969 H HIS 31 HN HIS 31 -16.796 16.287 -13.885 970 HA HIS 31 HA HIS 31 -17.905 16.495 -16.600 971 1HB HIS 31 2HB HIS 31 -15.576 16.146 -17.261 972 2HB HIS 31 1HB HIS 31 -15.655 17.331 -15.962 973 HD1 HIS 31 HD1 HIS 31 -16.241 14.515 -14.064 974 HD2 HIS 31 HD2 HIS 31 -12.850 15.785 -16.124 975 HE1 HIS 31 HE1 HIS 31 -14.269 13.326 -13.007 976 H MET 32 HN MET 32 -18.068 14.124 -14.330 977 HA MET 32 HA MET 32 -18.079 11.969 -16.421 978 1HB MET 32 2HB MET 32 -17.730 11.929 -13.411 979 2HB MET 32 1HB MET 32 -17.995 10.468 -14.362 980 1HG MET 32 2HG MET 32 -15.720 12.436 -14.753 981 2HG MET 32 1HG MET 32 -15.586 10.849 -13.993 982 1HE MET 32 1HE MET 32 -16.057 8.286 -16.584 983 2HE MET 32 2HE MET 32 -17.567 8.979 -15.995 984 3HE MET 32 3HE MET 32 -16.203 8.796 -14.896 985 H LEU 33 HN LEU 33 -19.948 13.924 -14.296 986 HA LEU 33 HA LEU 33 -22.229 12.198 -13.903 987 1HB LEU 33 2HB LEU 33 -21.610 15.137 -13.764 988 2HB LEU 33 1HB LEU 33 -23.281 14.594 -13.612 989 HG LEU 33 HG LEU 33 -21.083 13.353 -11.946 990 1HD1 LEU 33 1HD1 LEU 33 -22.714 15.845 -11.376 991 2HD1 LEU 33 2HD1 LEU 33 -20.957 15.723 -11.460 992 3HD1 LEU 33 3HD1 LEU 33 -21.833 14.945 -10.142 993 1HD2 LEU 33 1HD2 LEU 33 -24.031 13.743 -11.381 994 2HD2 LEU 33 2HD2 LEU 33 -22.908 12.658 -10.561 995 3HD2 LEU 33 3HD2 LEU 33 -23.403 12.325 -12.221 996 H ASP 34 HN ASP 34 -21.207 14.357 -16.490 997 HA ASP 34 HA ASP 34 -23.805 14.125 -17.889 998 1HB ASP 34 2HB ASP 34 -22.491 16.242 -17.735 999 2HB ASP 34 1HB ASP 34 -21.186 15.466 -18.633 1000 H GLY 35 HN GLY 35 -24.159 12.533 -19.393 1001 1HA GLY 35 2HA GLY 35 -23.443 11.397 -21.440 1002 2HA GLY 35 1HA GLY 35 -21.794 11.403 -20.817 1003 H LEU 36 HN LEU 36 -22.108 10.377 -18.271 1004 HA LEU 36 HA LEU 36 -22.275 7.570 -18.840 1005 1HB LEU 36 2HB LEU 36 -20.891 8.836 -17.107 1006 2HB LEU 36 1HB LEU 36 -22.360 8.922 -16.133 1007 HG LEU 36 HG LEU 36 -21.416 6.280 -17.225 1008 1HD1 LEU 36 1HD1 LEU 36 -20.047 7.944 -15.278 1009 2HD1 LEU 36 2HD1 LEU 36 -19.553 6.396 -15.963 1010 3HD1 LEU 36 3HD1 LEU 36 -20.600 6.438 -14.544 1011 1HD2 LEU 36 1HD2 LEU 36 -23.180 5.541 -16.032 1012 2HD2 LEU 36 2HD2 LEU 36 -23.577 7.210 -15.626 1013 3HD2 LEU 36 3HD2 LEU 36 -22.522 6.274 -14.568 1014 H GLU 37 HN GLU 37 -23.865 6.051 -18.268 1015 HA GLU 37 HA GLU 37 -26.350 6.962 -16.926 1016 1HB GLU 37 2HB GLU 37 -27.704 6.235 -18.849 1017 2HB GLU 37 1HB GLU 37 -26.545 7.462 -19.364 1018 1HG GLU 37 2HG GLU 37 -25.020 5.693 -20.162 1019 2HG GLU 37 1HG GLU 37 -26.178 4.464 -19.650 1020 H THR 38 HN THR 38 -27.840 4.962 -16.637 1021 HA THR 38 HA THR 38 -26.335 2.793 -15.487 1022 HB THR 38 HB THR 38 -28.913 1.895 -15.876 1023 HG1 THR 38 HG1 THR 38 -29.718 3.662 -16.815 1024 1HG2 THR 38 1HG2 THR 38 -29.235 3.218 -13.599 1025 2HG2 THR 38 2HG2 THR 38 -27.497 3.459 -13.771 1026 3HG2 THR 38 3HG2 THR 38 -28.156 1.827 -13.702 1027 H GLY 39 HN GLY 39 -26.137 0.607 -16.274 1028 1HA GLY 39 2HA GLY 39 -26.010 -1.097 -17.903 1029 2HA GLY 39 1HA GLY 39 -27.051 -0.133 -18.947 1030 H ALA 40 HN ALA 40 -24.689 1.922 -17.923 1031 HA ALA 40 HA ALA 40 -23.259 1.842 -20.479 1032 1HB ALA 40 1HB ALA 40 -23.783 3.955 -19.442 1033 2HB ALA 40 2HB ALA 40 -22.037 3.745 -19.291 1034 3HB ALA 40 3HB ALA 40 -23.089 3.432 -17.906 1035 H SER 41 HN SER 41 -20.876 1.552 -20.564 1036 HA SER 41 HA SER 41 -19.905 -0.356 -18.485 1037 1HB SER 41 2HB SER 41 -18.049 -0.371 -20.453 1038 2HB SER 41 1HB SER 41 -19.495 -1.368 -20.497 1039 HG SER 41 HG SER 41 -19.854 -0.314 -22.288 1040 H VAL 42 HN VAL 42 -18.809 0.682 -16.876 1041 HA VAL 42 HA VAL 42 -17.040 2.988 -17.596 1042 HB VAL 42 HB VAL 42 -18.627 2.134 -15.216 1043 1HG1 VAL 42 1HG1 VAL 42 -16.776 2.182 -13.893 1044 2HG1 VAL 42 2HG1 VAL 42 -17.041 3.924 -13.994 1045 3HG1 VAL 42 3HG1 VAL 42 -15.850 3.150 -15.040 1046 1HG2 VAL 42 1HG2 VAL 42 -18.232 4.457 -16.917 1047 2HG2 VAL 42 2HG2 VAL 42 -18.166 4.870 -15.204 1048 3HG2 VAL 42 3HG2 VAL 42 -19.592 4.064 -15.864 1049 H ALA 43 HN ALA 43 -14.862 2.595 -17.573 1050 HA ALA 43 HA ALA 43 -13.886 0.029 -16.425 1051 1HB ALA 43 1HB ALA 43 -11.790 0.699 -17.595 1052 2HB ALA 43 2HB ALA 43 -12.562 2.209 -18.075 1053 3HB ALA 43 3HB ALA 43 -13.170 0.673 -18.692 1054 H HIS 44 HN HIS 44 -13.245 0.130 -14.314 1055 HA HIS 44 HA HIS 44 -12.608 2.741 -13.068 1056 1HB HIS 44 2HB HIS 44 -13.196 -0.078 -12.234 1057 2HB HIS 44 1HB HIS 44 -12.285 0.932 -11.114 1058 HD1 HIS 44 HD1 HIS 44 -14.995 2.317 -13.386 1059 HD2 HIS 44 HD2 HIS 44 -14.436 1.396 -9.346 1060 HE1 HIS 44 HE1 HIS 44 -16.984 3.273 -12.141 1061 HE2 HIS 44 HE2 HIS 44 -16.653 2.716 -9.693 1062 H ASN 45 HN ASN 45 -10.632 3.413 -13.576 1063 HA ASN 45 HA ASN 45 -8.362 3.446 -14.106 1064 1HB ASN 45 2HB ASN 45 -8.567 2.369 -11.653 1065 2HB ASN 45 1HB ASN 45 -7.878 0.982 -12.502 1066 1HD2 ASN 45 1HD2 ASN 45 -7.171 4.141 -11.234 1067 2HD2 ASN 45 2HD2 ASN 45 -5.574 4.238 -11.773 1068 H GLY 46 HN GLY 46 -10.418 1.408 -15.414 1069 1HA GLY 46 2HA GLY 46 -9.697 0.737 -17.679 1070 2HA GLY 46 1HA GLY 46 -8.257 0.042 -16.943 1071 H CYS 47 HN CYS 47 -10.803 -0.730 -14.892 1072 HA CYS 47 HA CYS 47 -11.105 -3.397 -16.220 1073 1HB CYS 47 2HB CYS 47 -10.342 -3.181 -13.818 1074 2HB CYS 47 1HB CYS 47 -11.919 -2.495 -13.434 1075 HG CYS 47 HG CYS 47 -12.975 -4.800 -14.300 1076 H CYS 48 HN CYS 48 -12.821 -3.299 -17.642 1077 HA CYS 48 HA CYS 48 -14.897 -1.330 -17.392 1078 1HB CYS 48 2HB CYS 48 -15.796 -2.547 -19.396 1079 2HB CYS 48 1HB CYS 48 -14.081 -2.152 -19.532 1080 HG CYS 48 HG CYS 48 -13.782 -4.749 -18.537 1081 H LEU 49 HN LEU 49 -16.755 -1.441 -16.275 1082 HA LEU 49 HA LEU 49 -18.128 -4.058 -15.991 1083 1HB LEU 49 2HB LEU 49 -18.592 -3.409 -13.563 1084 2HB LEU 49 1HB LEU 49 -16.928 -3.872 -13.919 1085 HG LEU 49 HG LEU 49 -17.604 -0.991 -14.235 1086 1HD1 LEU 49 1HD1 LEU 49 -16.854 -1.611 -11.491 1087 2HD1 LEU 49 2HD1 LEU 49 -18.405 -2.334 -11.917 1088 3HD1 LEU 49 3HD1 LEU 49 -18.167 -0.593 -12.085 1089 1HD2 LEU 49 1HD2 LEU 49 -15.292 -1.768 -12.621 1090 2HD2 LEU 49 2HD2 LEU 49 -15.344 -0.816 -14.105 1091 3HD2 LEU 49 3HD2 LEU 49 -15.301 -2.577 -14.188 1092 H THR 50 HN THR 50 -20.478 -3.695 -15.447 1093 HA THR 50 HA THR 50 -21.357 -1.259 -16.898 1094 HB THR 50 HB THR 50 -22.694 -3.890 -16.197 1095 HG1 THR 50 HG1 THR 50 -22.340 -4.300 -18.379 1096 1HG2 THR 50 1HG2 THR 50 -24.507 -2.422 -16.444 1097 2HG2 THR 50 2HG2 THR 50 -24.283 -3.024 -18.086 1098 3HG2 THR 50 3HG2 THR 50 -23.669 -1.432 -17.639 1099 H VAL 51 HN VAL 51 -23.127 0.028 -16.156 1100 HA VAL 51 HA VAL 51 -23.163 0.480 -13.285 1101 HB VAL 51 HB VAL 51 -24.895 1.609 -15.509 1102 1HG1 VAL 51 1HG1 VAL 51 -24.466 2.244 -12.652 1103 2HG1 VAL 51 2HG1 VAL 51 -25.879 2.523 -13.671 1104 3HG1 VAL 51 3HG1 VAL 51 -24.500 3.620 -13.754 1105 1HG2 VAL 51 1HG2 VAL 51 -22.246 1.664 -15.612 1106 2HG2 VAL 51 2HG2 VAL 51 -22.479 3.007 -14.491 1107 3HG2 VAL 51 3HG2 VAL 51 -23.226 3.046 -16.088 1108 H THR 52 HN THR 52 -24.408 -0.745 -11.918 1109 HA THR 52 HA THR 52 -26.769 -2.243 -12.762 1110 HB THR 52 HB THR 52 -26.945 -2.701 -10.378 1111 HG1 THR 52 HG1 THR 52 -25.213 -0.480 -10.194 1112 1HG2 THR 52 1HG2 THR 52 -24.406 -2.870 -11.807 1113 2HG2 THR 52 2HG2 THR 52 -25.220 -4.079 -10.812 1114 3HG2 THR 52 3HG2 THR 52 -24.197 -2.859 -10.055 1115 H GLU 53 HN GLU 53 -26.136 0.862 -11.122 1116 HA GLU 53 HA GLU 53 -28.769 1.888 -11.948 1117 1HB GLU 53 2HB GLU 53 -29.296 0.419 -10.039 1118 2HB GLU 53 1HB GLU 53 -28.120 1.282 -9.047 1119 1HG GLU 53 2HG GLU 53 -30.373 2.129 -8.587 1120 2HG GLU 53 1HG GLU 53 -29.409 3.379 -9.376 1121 H ILE 54 HN ILE 54 -28.992 4.159 -11.447 1122 HA ILE 54 HA ILE 54 -26.465 5.492 -10.505 1123 HB ILE 54 HB ILE 54 -28.713 6.400 -12.340 1124 1HG1 ILE 54 2HG1 ILE 54 -25.867 6.438 -13.152 1125 2HG1 ILE 54 1HG1 ILE 54 -26.563 4.836 -12.924 1126 1HG2 ILE 54 1HG2 ILE 54 -27.999 8.308 -11.048 1127 2HG2 ILE 54 2HG2 ILE 54 -27.215 8.427 -12.624 1128 3HG2 ILE 54 3HG2 ILE 54 -26.303 7.858 -11.226 1129 1HD1 ILE 54 1HD1 ILE 54 -27.943 5.035 -14.737 1130 2HD1 ILE 54 2HD1 ILE 54 -26.775 6.258 -15.242 1131 3HD1 ILE 54 3HD1 ILE 54 -28.262 6.742 -14.423 1132 H ASN 55 HN ASN 55 -26.614 6.552 -8.626 1133 HA ASN 55 HA ASN 55 -29.325 7.008 -7.447 1134 1HB ASN 55 2HB ASN 55 -26.530 6.702 -6.329 1135 2HB ASN 55 1HB ASN 55 -27.892 7.220 -5.336 1136 1HD2 ASN 55 1HD2 ASN 55 -26.388 4.469 -6.878 1137 2HD2 ASN 55 2HD2 ASN 55 -27.516 3.310 -6.362 1138 H GLY 56 HN GLY 56 -29.142 8.876 -9.190 1139 1HA GLY 56 2HA GLY 56 -29.126 11.245 -9.386 1140 2HA GLY 56 1HA GLY 56 -28.418 11.346 -7.771 1141 H ASN 57 HN ASN 57 -26.305 11.956 -7.726 1142 HA ASN 57 HA ASN 57 -24.737 11.972 -10.201 1143 1HB ASN 57 2HB ASN 57 -23.608 13.597 -9.090 1144 2HB ASN 57 1HB ASN 57 -24.861 13.456 -7.878 1145 1HD2 ASN 57 1HD2 ASN 57 -21.821 11.875 -8.797 1146 2HD2 ASN 57 2HD2 ASN 57 -21.279 11.575 -7.219 1147 H HIS 58 HN HIS 58 -25.205 9.881 -7.465 1148 HA HIS 58 HA HIS 58 -22.635 8.518 -7.612 1149 1HB HIS 58 2HB HIS 58 -25.305 8.098 -6.302 1150 2HB HIS 58 1HB HIS 58 -24.114 6.804 -6.273 1151 HD1 HIS 58 HD1 HIS 58 -25.184 9.190 -4.052 1152 HD2 HIS 58 HD2 HIS 58 -21.373 8.363 -5.539 1153 HE1 HIS 58 HE1 HIS 58 -23.532 10.125 -2.377 1154 H VAL 59 HN VAL 59 -22.397 6.267 -8.311 1155 HA VAL 59 HA VAL 59 -24.615 5.209 -9.965 1156 HB VAL 59 HB VAL 59 -21.769 5.703 -10.865 1157 1HG1 VAL 59 1HG1 VAL 59 -23.908 3.867 -11.903 1158 2HG1 VAL 59 2HG1 VAL 59 -22.182 3.563 -11.738 1159 3HG1 VAL 59 3HG1 VAL 59 -22.773 4.611 -13.027 1160 1HG2 VAL 59 1HG2 VAL 59 -22.812 7.585 -11.597 1161 2HG2 VAL 59 2HG2 VAL 59 -24.415 6.909 -11.297 1162 3HG2 VAL 59 3HG2 VAL 59 -23.566 6.538 -12.800 1163 H SER 60 HN SER 60 -24.987 3.192 -9.207 1164 HA SER 60 HA SER 60 -22.912 1.689 -7.730 1165 1HB SER 60 2HB SER 60 -25.544 1.914 -7.412 1166 2HB SER 60 1HB SER 60 -25.554 0.583 -8.562 1167 HG SER 60 HG SER 60 -25.375 0.147 -6.167 1168 H PHE 61 HN PHE 61 -21.733 0.034 -8.651 1169 HA PHE 61 HA PHE 61 -22.422 -0.722 -11.479 1170 1HB PHE 61 2HB PHE 61 -19.826 -0.443 -9.949 1171 2HB PHE 61 1HB PHE 61 -19.909 -1.322 -11.473 1172 HD1 PHE 61 HD1 PHE 61 -20.747 -0.132 -13.543 1173 HD2 PHE 61 HD2 PHE 61 -19.793 1.936 -9.898 1174 HE1 PHE 61 HE1 PHE 61 -20.599 2.005 -14.795 1175 HE2 PHE 61 HE2 PHE 61 -19.647 4.075 -11.149 1176 HZ PHE 61 HZ PHE 61 -20.050 4.109 -13.598 1177 H ASP 62 HN ASP 62 -21.999 -3.010 -12.036 1178 HA ASP 62 HA ASP 62 -22.539 -4.810 -9.739 1179 1HB ASP 62 2HB ASP 62 -23.018 -6.437 -11.554 1180 2HB ASP 62 1HB ASP 62 -23.904 -4.936 -11.805 1181 H LEU 63 HN LEU 63 -21.253 -6.522 -9.196 1182 HA LEU 63 HA LEU 63 -18.679 -6.993 -10.553 1183 1HB LEU 63 2HB LEU 63 -19.100 -5.107 -8.420 1184 2HB LEU 63 1HB LEU 63 -18.094 -6.420 -7.830 1185 HG LEU 63 HG LEU 63 -17.257 -5.663 -10.488 1186 1HD1 LEU 63 1HD1 LEU 63 -17.034 -3.395 -10.388 1187 2HD1 LEU 63 2HD1 LEU 63 -16.701 -3.407 -8.655 1188 3HD1 LEU 63 3HD1 LEU 63 -18.367 -3.510 -9.234 1189 1HD2 LEU 63 1HD2 LEU 63 -15.619 -5.022 -8.074 1190 2HD2 LEU 63 2HD2 LEU 63 -15.154 -5.878 -9.544 1191 3HD2 LEU 63 3HD2 LEU 63 -16.080 -6.709 -8.293 1192 H MET 64 HN MET 64 -18.387 -9.200 -10.356 1193 HA MET 64 HA MET 64 -20.038 -10.687 -8.423 1194 1HB MET 64 2HB MET 64 -19.573 -11.325 -10.834 1195 2HB MET 64 1HB MET 64 -17.920 -11.679 -10.347 1196 1HG MET 64 2HG MET 64 -18.766 -13.305 -8.680 1197 2HG MET 64 1HG MET 64 -20.412 -12.984 -9.228 1198 1HE MET 64 1HE MET 64 -20.348 -12.546 -12.107 1199 2HE MET 64 2HE MET 64 -21.443 -13.758 -11.445 1200 3HE MET 64 3HE MET 64 -20.474 -14.139 -12.866 1201 H LYS 65 HN LYS 65 -19.195 -11.895 -6.659 1202 HA LYS 65 HA LYS 65 -16.998 -10.806 -5.254 1203 1HB LYS 65 2HB LYS 65 -18.882 -12.116 -4.303 1204 2HB LYS 65 1HB LYS 65 -18.246 -13.569 -5.077 1205 1HG LYS 65 2HG LYS 65 -16.149 -13.340 -3.797 1206 2HG LYS 65 1HG LYS 65 -16.783 -11.890 -3.018 1207 1HD LYS 65 2HD LYS 65 -18.662 -13.232 -2.095 1208 2HD LYS 65 1HD LYS 65 -17.961 -14.678 -2.822 1209 1HE LYS 65 2HE LYS 65 -15.795 -14.000 -1.515 1210 2HE LYS 65 1HE LYS 65 -16.905 -13.023 -0.535 1211 1HZ LYS 65 1HZ LYS 65 -16.800 -15.933 -0.875 1212 2HZ LYS 65 2HZ LYS 65 -18.324 -15.213 -0.659 1213 3HZ LYS 65 3HZ LYS 65 -17.116 -15.022 0.521 1214 H GLU 66 HN GLU 66 -17.180 -13.875 -7.106 1215 HA GLU 66 HA GLU 66 -14.388 -14.519 -6.744 1216 1HB GLU 66 2HB GLU 66 -16.168 -16.150 -7.263 1217 2HB GLU 66 1HB GLU 66 -16.428 -15.375 -8.825 1218 1HG GLU 66 2HG GLU 66 -15.009 -17.325 -9.149 1219 2HG GLU 66 1HG GLU 66 -14.046 -15.871 -9.415 1220 H THR 67 HN THR 67 -16.197 -12.885 -9.354 1221 HA THR 67 HA THR 67 -13.955 -12.505 -11.131 1222 HB THR 67 HB THR 67 -16.375 -10.737 -10.648 1223 HG1 THR 67 HG1 THR 67 -16.033 -13.226 -11.841 1224 1HG2 THR 67 1HG2 THR 67 -15.449 -9.515 -12.292 1225 2HG2 THR 67 2HG2 THR 67 -15.730 -10.882 -13.369 1226 3HG2 THR 67 3HG2 THR 67 -14.181 -10.713 -12.544 1227 H LEU 68 HN LEU 68 -15.255 -10.688 -8.379 1228 HA LEU 68 HA LEU 68 -13.574 -8.392 -8.507 1229 1HB LEU 68 2HB LEU 68 -15.599 -8.686 -7.117 1230 2HB LEU 68 1HB LEU 68 -14.775 -9.929 -6.177 1231 HG LEU 68 HG LEU 68 -13.000 -7.799 -6.097 1232 1HD1 LEU 68 1HD1 LEU 68 -14.915 -6.136 -5.089 1233 2HD1 LEU 68 2HD1 LEU 68 -15.776 -6.844 -6.456 1234 3HD1 LEU 68 3HD1 LEU 68 -14.252 -5.997 -6.718 1235 1HD2 LEU 68 1HD2 LEU 68 -14.468 -9.424 -4.354 1236 2HD2 LEU 68 2HD2 LEU 68 -14.883 -7.777 -3.877 1237 3HD2 LEU 68 3HD2 LEU 68 -13.195 -8.290 -3.902 1238 H ARG 69 HN ARG 69 -13.184 -11.502 -6.794 1239 HA ARG 69 HA ARG 69 -10.577 -10.949 -5.704 1240 1HB ARG 69 2HB ARG 69 -12.150 -12.665 -4.897 1241 2HB ARG 69 1HB ARG 69 -11.998 -13.531 -6.426 1242 1HG ARG 69 2HG ARG 69 -9.646 -13.956 -6.017 1243 2HG ARG 69 1HG ARG 69 -9.676 -12.949 -4.568 1244 1HD ARG 69 2HD ARG 69 -11.231 -14.492 -3.477 1245 2HD ARG 69 1HD ARG 69 -11.311 -15.484 -4.946 1246 HE ARG 69 HE ARG 69 -9.063 -15.384 -3.070 1247 1HH1 ARG 69 1HH1 ARG 69 -10.134 -15.987 -6.302 1248 2HH1 ARG 69 2HH1 ARG 69 -8.816 -17.045 -6.675 1249 1HH2 ARG 69 1HH2 ARG 69 -7.341 -16.758 -3.553 1250 2HH2 ARG 69 2HH2 ARG 69 -7.237 -17.480 -5.124 1251 H ILE 70 HN ILE 70 -11.662 -12.518 -8.719 1252 HA ILE 70 HA ILE 70 -9.095 -13.398 -9.612 1253 HB ILE 70 HB ILE 70 -11.738 -13.584 -10.331 1254 1HG1 ILE 70 2HG1 ILE 70 -9.373 -14.292 -12.079 1255 2HG1 ILE 70 1HG1 ILE 70 -9.908 -15.229 -10.683 1256 1HG2 ILE 70 1HG2 ILE 70 -12.030 -12.771 -12.585 1257 2HG2 ILE 70 2HG2 ILE 70 -10.371 -12.173 -12.631 1258 3HG2 ILE 70 3HG2 ILE 70 -11.555 -11.407 -11.574 1259 1HD1 ILE 70 1HD1 ILE 70 -10.779 -16.073 -12.904 1260 2HD1 ILE 70 2HD1 ILE 70 -11.702 -14.577 -13.034 1261 3HD1 ILE 70 3HD1 ILE 70 -12.031 -15.704 -11.719 1262 H THR 71 HN THR 71 -10.928 -10.421 -10.109 1263 HA THR 71 HA THR 71 -8.685 -9.153 -11.566 1264 HB THR 71 HB THR 71 -10.284 -7.390 -11.936 1265 HG1 THR 71 HG1 THR 71 -11.445 -8.516 -9.660 1266 1HG2 THR 71 1HG2 THR 71 -12.346 -9.447 -11.948 1267 2HG2 THR 71 2HG2 THR 71 -10.821 -10.037 -12.606 1268 3HG2 THR 71 3HG2 THR 71 -11.590 -8.609 -13.302 1269 H ASN 72 HN ASN 72 -8.477 -6.692 -10.656 1270 HA ASN 72 HA ASN 72 -7.901 -6.907 -7.738 1271 1HB ASN 72 2HB ASN 72 -5.970 -6.239 -8.891 1272 2HB ASN 72 1HB ASN 72 -6.880 -5.332 -10.088 1273 1HD2 ASN 72 1HD2 ASN 72 -5.842 -3.284 -9.802 1274 2HD2 ASN 72 2HD2 ASN 72 -5.903 -2.418 -8.339 1275 H LEU 73 HN LEU 73 -10.588 -6.518 -9.171 1276 HA LEU 73 HA LEU 73 -11.444 -3.785 -8.730 1277 1HB LEU 73 2HB LEU 73 -12.842 -6.473 -8.912 1278 2HB LEU 73 1HB LEU 73 -13.705 -4.936 -8.837 1279 HG LEU 73 HG LEU 73 -11.648 -5.658 -10.954 1280 1HD1 LEU 73 1HD1 LEU 73 -14.553 -5.261 -11.533 1281 2HD1 LEU 73 2HD1 LEU 73 -14.054 -6.799 -10.827 1282 3HD1 LEU 73 3HD1 LEU 73 -13.369 -6.271 -12.364 1283 1HD2 LEU 73 1HD2 LEU 73 -12.853 -3.175 -10.098 1284 2HD2 LEU 73 2HD2 LEU 73 -13.377 -3.555 -11.739 1285 3HD2 LEU 73 3HD2 LEU 73 -11.656 -3.439 -11.366 1286 H GLY 74 HN GLY 74 -11.503 -6.754 -6.748 1287 1HA GLY 74 2HA GLY 74 -13.089 -5.869 -4.642 1288 2HA GLY 74 1HA GLY 74 -11.796 -7.044 -4.452 1289 H ASP 75 HN ASP 75 -9.835 -4.926 -5.439 1290 HA ASP 75 HA ASP 75 -8.907 -4.133 -2.870 1291 1HB ASP 75 2HB ASP 75 -7.222 -2.963 -4.136 1292 2HB ASP 75 1HB ASP 75 -7.652 -4.400 -5.064 1293 H LEU 76 HN LEU 76 -11.294 -2.706 -4.917 1294 HA LEU 76 HA LEU 76 -11.046 0.050 -4.286 1295 1HB LEU 76 2HB LEU 76 -13.470 -1.677 -4.808 1296 2HB LEU 76 1HB LEU 76 -13.476 0.081 -4.863 1297 HG LEU 76 HG LEU 76 -11.700 -1.685 -6.569 1298 1HD1 LEU 76 1HD1 LEU 76 -13.342 -0.363 -8.289 1299 2HD1 LEU 76 2HD1 LEU 76 -14.435 -0.599 -6.924 1300 3HD1 LEU 76 3HD1 LEU 76 -13.669 -1.990 -7.691 1301 1HD2 LEU 76 1HD2 LEU 76 -11.643 1.100 -5.858 1302 2HD2 LEU 76 2HD2 LEU 76 -12.030 0.956 -7.575 1303 3HD2 LEU 76 3HD2 LEU 76 -10.557 0.222 -6.937 1304 H LYS 77 HN LYS 77 -11.741 1.270 -2.593 1305 HA LYS 77 HA LYS 77 -13.352 -0.007 -0.439 1306 1HB LYS 77 2HB LYS 77 -10.633 1.279 -0.210 1307 2HB LYS 77 1HB LYS 77 -11.716 1.175 1.180 1308 1HG LYS 77 2HG LYS 77 -11.130 -1.256 -0.488 1309 2HG LYS 77 1HG LYS 77 -10.025 -0.763 0.797 1310 1HD LYS 77 2HD LYS 77 -11.855 -0.852 2.430 1311 2HD LYS 77 1HD LYS 77 -12.992 -1.285 1.152 1312 1HE LYS 77 2HE LYS 77 -11.703 -3.361 0.712 1313 2HE LYS 77 1HE LYS 77 -10.593 -2.935 2.031 1314 1HZ LYS 77 1HZ LYS 77 -12.110 -4.086 3.240 1315 2HZ LYS 77 2HZ LYS 77 -13.384 -3.788 2.155 1316 3HZ LYS 77 3HZ LYS 77 -12.902 -2.587 3.258 1317 H VAL 78 HN VAL 78 -14.742 1.427 0.561 1318 HA VAL 78 HA VAL 78 -15.510 3.753 -0.879 1319 HB VAL 78 HB VAL 78 -16.053 3.027 2.018 1320 1HG1 VAL 78 1HG1 VAL 78 -17.470 4.776 2.002 1321 2HG1 VAL 78 2HG1 VAL 78 -18.264 4.152 0.552 1322 3HG1 VAL 78 3HG1 VAL 78 -16.858 5.222 0.408 1323 1HG2 VAL 78 1HG2 VAL 78 -18.197 2.160 0.574 1324 2HG2 VAL 78 2HG2 VAL 78 -16.846 1.126 1.039 1325 3HG2 VAL 78 3HG2 VAL 78 -16.886 1.854 -0.567 1326 H GLY 79 HN GLY 79 -15.248 5.971 -0.390 1327 1HA GLY 79 2HA GLY 79 -14.269 7.847 0.738 1328 2HA GLY 79 1HA GLY 79 -13.325 6.730 1.727 1329 H ASP 80 HN ASP 80 -12.889 5.294 -1.042 1330 HA ASP 80 HA ASP 80 -10.447 6.849 -1.759 1331 1HB ASP 80 2HB ASP 80 -10.502 4.345 -1.244 1332 2HB ASP 80 1HB ASP 80 -11.383 4.145 -2.754 1333 H TRP 81 HN TRP 81 -10.045 7.141 -4.130 1334 HA TRP 81 HA TRP 81 -12.618 7.457 -5.639 1335 1HB TRP 81 2HB TRP 81 -10.025 9.013 -5.651 1336 2HB TRP 81 1HB TRP 81 -11.225 9.187 -6.925 1337 HD1 TRP 81 HD1 TRP 81 -11.640 8.938 -3.078 1338 HE1 TRP 81 HE1 TRP 81 -13.111 10.899 -2.310 1339 HE3 TRP 81 HE3 TRP 81 -12.318 11.331 -7.540 1340 HZ2 TRP 81 HZ2 TRP 81 -14.401 13.193 -3.428 1341 HZ3 TRP 81 HZ3 TRP 81 -13.673 13.406 -7.659 1342 HH2 TRP 81 HH2 TRP 81 -14.715 14.337 -5.607 1343 H VAL 82 HN VAL 82 -12.409 7.108 -7.992 1344 HA VAL 82 HA VAL 82 -10.292 5.100 -8.687 1345 HB VAL 82 HB VAL 82 -12.277 3.885 -8.224 1346 1HG1 VAL 82 1HG1 VAL 82 -13.544 6.348 -9.264 1347 2HG1 VAL 82 2HG1 VAL 82 -14.085 5.272 -7.976 1348 3HG1 VAL 82 3HG1 VAL 82 -14.389 4.853 -9.662 1349 1HG2 VAL 82 1HG2 VAL 82 -12.693 2.842 -10.251 1350 2HG2 VAL 82 2HG2 VAL 82 -11.231 3.740 -10.665 1351 3HG2 VAL 82 3HG2 VAL 82 -12.817 4.372 -11.123 1352 H ASN 83 HN ASN 83 -9.459 5.300 -10.734 1353 HA ASN 83 HA ASN 83 -10.038 7.579 -12.444 1354 1HB ASN 83 2HB ASN 83 -8.289 5.241 -12.248 1355 2HB ASN 83 1HB ASN 83 -8.780 5.545 -13.897 1356 1HD2 ASN 83 1HD2 ASN 83 -8.973 8.475 -13.653 1357 2HD2 ASN 83 2HD2 ASN 83 -7.392 9.058 -13.463 1358 H VAL 84 HN VAL 84 -12.195 7.569 -13.203 1359 HA VAL 84 HA VAL 84 -13.195 4.977 -14.301 1360 HB VAL 84 HB VAL 84 -15.402 6.475 -14.269 1361 1HG1 VAL 84 1HG1 VAL 84 -14.714 4.355 -12.996 1362 2HG1 VAL 84 2HG1 VAL 84 -15.941 5.378 -12.245 1363 3HG1 VAL 84 3HG1 VAL 84 -14.272 5.435 -11.670 1364 1HG2 VAL 84 1HG2 VAL 84 -15.425 8.058 -12.438 1365 2HG2 VAL 84 2HG2 VAL 84 -14.106 8.510 -13.518 1366 3HG2 VAL 84 3HG2 VAL 84 -13.760 7.661 -12.011 1367 H GLU 85 HN GLU 85 -13.729 4.750 -16.383 1368 HA GLU 85 HA GLU 85 -13.621 7.160 -18.175 1369 1HB GLU 85 2HB GLU 85 -11.494 5.806 -18.122 1370 2HB GLU 85 1HB GLU 85 -12.419 4.427 -18.717 1371 1HG GLU 85 2HG GLU 85 -12.977 5.586 -20.758 1372 2HG GLU 85 1HG GLU 85 -12.301 7.095 -20.144 1373 H ARG 86 HN ARG 86 -15.366 7.231 -19.559 1374 HA ARG 86 HA ARG 86 -17.484 5.297 -19.300 1375 1HB ARG 86 2HB ARG 86 -17.747 7.726 -19.733 1376 2HB ARG 86 1HB ARG 86 -17.026 7.507 -21.328 1377 1HG ARG 86 2HG ARG 86 -18.841 5.951 -21.939 1378 2HG ARG 86 1HG ARG 86 -19.566 6.170 -20.346 1379 1HD ARG 86 2HD ARG 86 -19.867 8.583 -20.807 1380 2HD ARG 86 1HD ARG 86 -19.147 8.361 -22.414 1381 HE ARG 86 HE ARG 86 -21.306 6.481 -21.924 1382 1HH1 ARG 86 1HH1 ARG 86 -20.495 9.711 -22.851 1383 2HH1 ARG 86 2HH1 ARG 86 -21.946 9.948 -23.765 1384 1HH2 ARG 86 1HH2 ARG 86 -23.199 6.783 -23.113 1385 2HH2 ARG 86 2HH2 ARG 86 -23.474 8.293 -23.913 1386 H ALA 87 HN ALA 87 -18.067 3.609 -20.637 1387 HA ALA 87 HA ALA 87 -16.569 3.220 -23.209 1388 1HB ALA 87 1HB ALA 87 -15.828 1.174 -22.525 1389 2HB ALA 87 2HB ALA 87 -17.329 0.817 -21.676 1390 3HB ALA 87 3HB ALA 87 -16.100 1.815 -20.905 1391 H ALA 88 HN ALA 88 -17.831 2.185 -24.844 1392 HA ALA 88 HA ALA 88 -20.775 2.202 -24.256 1393 1HB ALA 88 1HB ALA 88 -20.935 2.883 -26.652 1394 2HB ALA 88 2HB ALA 88 -19.176 2.811 -26.763 1395 3HB ALA 88 3HB ALA 88 -19.946 3.995 -25.706 1396 H LYS 89 HN LYS 89 -22.028 0.485 -24.953 1397 HA LYS 89 HA LYS 89 -20.880 -2.088 -25.318 1398 1HB LYS 89 2HB LYS 89 -23.596 -0.977 -26.100 1399 2HB LYS 89 1HB LYS 89 -23.218 -2.688 -25.895 1400 1HG LYS 89 2HG LYS 89 -23.091 -0.543 -23.758 1401 2HG LYS 89 1HG LYS 89 -24.250 -1.870 -23.849 1402 1HD LYS 89 2HD LYS 89 -22.327 -3.477 -23.695 1403 2HD LYS 89 1HD LYS 89 -21.258 -2.098 -23.429 1404 1HE LYS 89 2HE LYS 89 -21.943 -1.844 -21.266 1405 2HE LYS 89 1HE LYS 89 -23.643 -2.139 -21.679 1406 1HZ LYS 89 1HZ LYS 89 -22.424 -3.938 -20.356 1407 2HZ LYS 89 2HZ LYS 89 -21.635 -4.302 -21.815 1408 3HZ LYS 89 3HZ LYS 89 -23.325 -4.431 -21.705 1409 H PHE 90 HN PHE 90 -22.102 0.271 -27.702 1410 HA PHE 90 HA PHE 90 -20.974 -1.468 -29.873 1411 1HB PHE 90 2HB PHE 90 -22.763 -0.600 -31.260 1412 2HB PHE 90 1HB PHE 90 -23.475 -1.138 -29.741 1413 HD1 PHE 90 HD1 PHE 90 -22.551 1.778 -31.788 1414 HD2 PHE 90 HD2 PHE 90 -24.294 0.468 -28.084 1415 HE1 PHE 90 HE1 PHE 90 -23.450 4.060 -31.405 1416 HE2 PHE 90 HE2 PHE 90 -25.194 2.750 -27.700 1417 HZ PHE 90 HZ PHE 90 -24.771 4.546 -29.361 1418 H SER 91 HN SER 91 -20.129 -0.230 -31.760 1419 HA SER 91 HA SER 91 -18.681 2.192 -30.798 1420 1HB SER 91 2HB SER 91 -18.229 0.046 -32.867 1421 2HB SER 91 1HB SER 91 -17.282 1.530 -32.889 1422 HG SER 91 HG SER 91 -17.326 -0.562 -31.044 1423 H ASP 92 HN ASP 92 -19.086 4.165 -31.719 1424 HA ASP 92 HA ASP 92 -21.214 4.628 -33.577 1425 1HB ASP 92 2HB ASP 92 -18.802 6.225 -32.670 1426 2HB ASP 92 1HB ASP 92 -20.078 6.907 -33.680 1427 H GLU 93 HN GLU 93 -17.684 4.344 -34.030 1428 HA GLU 93 HA GLU 93 -18.086 3.734 -36.892 1429 1HB GLU 93 2HB GLU 93 -16.718 5.689 -37.571 1430 2HB GLU 93 1HB GLU 93 -18.182 6.193 -36.725 1431 1HG GLU 93 2HG GLU 93 -16.903 6.410 -34.628 1432 2HG GLU 93 1HG GLU 93 -15.436 5.908 -35.470 1433 H ILE 94 HN ILE 94 -17.026 1.985 -35.094 1434 HA ILE 94 HA ILE 94 -14.071 2.130 -35.616 1435 HB ILE 94 HB ILE 94 -15.477 0.808 -33.276 1436 1HG1 ILE 94 2HG1 ILE 94 -14.162 3.544 -33.341 1437 2HG1 ILE 94 1HG1 ILE 94 -15.907 3.289 -33.383 1438 1HG2 ILE 94 1HG2 ILE 94 -13.085 0.183 -33.985 1439 2HG2 ILE 94 2HG2 ILE 94 -13.307 0.685 -32.309 1440 3HG2 ILE 94 3HG2 ILE 94 -12.634 1.814 -33.485 1441 1HD1 ILE 94 1HD1 ILE 94 -14.084 3.194 -31.113 1442 2HD1 ILE 94 2HD1 ILE 94 -15.032 1.713 -31.248 1443 3HD1 ILE 94 3HD1 ILE 94 -15.845 3.274 -31.128 1444 H GLY 95 HN GLY 95 -16.653 0.708 -36.823 1445 1HA GLY 95 2HA GLY 95 -16.196 -2.109 -36.456 1446 2HA GLY 95 1HA GLY 95 -17.156 -1.390 -37.750 1447 H GLY 96 HN GLY 96 -13.701 -1.621 -36.809 1448 1HA GLY 96 2HA GLY 96 -12.025 -2.683 -38.172 1449 2HA GLY 96 1HA GLY 96 -13.122 -2.588 -39.549 1450 H HIS 97 HN HIS 97 -12.286 0.080 -37.370 1451 HA HIS 97 HA HIS 97 -11.183 2.124 -37.817 1452 1HB HIS 97 2HB HIS 97 -9.499 0.274 -38.530 1453 2HB HIS 97 1HB HIS 97 -9.962 0.693 -40.179 1454 HD1 HIS 97 HD1 HIS 97 -9.072 2.878 -41.142 1455 HD2 HIS 97 HD2 HIS 97 -8.213 2.442 -37.086 1456 HE1 HIS 97 HE1 HIS 97 -7.467 4.744 -40.545 1457 HN3 RBF 98 HN3 RBF 98 4.578 6.725 -13.339 1458 HC6 RBF 98 HC6 RBF 98 3.923 5.269 -20.102 1459 1HC7 RBF 98 1HC7 RBF 98 1.498 5.237 -22.897 1460 2HC7 RBF 98 2HC7 RBF 98 3.008 4.540 -22.272 1461 3HC7 RBF 98 3HC7 RBF 98 2.994 6.194 -22.918 1462 1HC8 RBF 98 1HC8 RBF 98 0.484 6.812 -22.869 1463 2HC8 RBF 98 2HC8 RBF 98 -0.522 7.855 -21.844 1464 3HC8 RBF 98 3HC8 RBF 98 -0.826 6.105 -21.903 1465 HC9 RBF 98 HC9 RBF 98 -0.342 7.696 -19.348 1466 1HC1 RBF 98 1HC1 RBF 98 -0.169 8.334 -15.827 1467 2HC1 RBF 98 2HC1 RBF 98 -0.892 7.585 -17.263 1468 HC2* RBF 98 HC2* RBF 98 -0.304 9.411 -18.658 1469 HO2* RBF 98 HO2* RBF 98 1.814 9.586 -16.996 1470 HC3* RBF 98 HC3* RBF 98 -0.995 10.477 -15.892 1471 HO3* RBF 98 HO3* RBF 98 -2.816 10.215 -18.036 1472 HC4* RBF 98 HC4* RBF 98 -2.085 12.293 -17.475 1473 HO4* RBF 98 HO4* RBF 98 -0.056 12.403 -19.144 1474 1HC5 RBF 98 1HC5 RBF 98 -0.396 12.797 -15.781 1475 2HC5 RBF 98 2HC5 RBF 98 0.887 12.156 -16.825 1476 HO5* RBF 98 HO5* RBF 98 0.968 14.257 -17.372 1477 HN3 RBF 99 HN3 RBF 99 -19.048 -6.581 -12.345 1478 HC6 RBF 99 HC6 RBF 99 -18.614 -5.738 -19.229 1479 1HC7 RBF 99 1HC7 RBF 99 -16.276 -5.941 -22.090 1480 2HC7 RBF 99 2HC7 RBF 99 -17.773 -5.202 -21.483 1481 3HC7 RBF 99 3HC7 RBF 99 -17.761 -6.909 -21.977 1482 1HC8 RBF 99 1HC8 RBF 99 -15.244 -7.499 -21.950 1483 2HC8 RBF 99 2HC8 RBF 99 -14.194 -8.437 -20.866 1484 3HC8 RBF 99 3HC8 RBF 99 -13.910 -6.698 -21.094 1485 HC9 RBF 99 HC9 RBF 99 -14.301 -8.052 -18.391 1486 1HC1 RBF 99 1HC1 RBF 99 -14.360 -8.369 -14.823 1487 2HC1 RBF 99 2HC1 RBF 99 -13.689 -7.748 -16.343 1488 HC2* RBF 99 HC2* RBF 99 -14.305 -9.698 -17.546 1489 HO2* RBF 99 HO2* RBF 99 -16.365 -9.736 -15.812 1490 HC3* RBF 99 HC3* RBF 99 -13.514 -10.503 -14.719 1491 HO3* RBF 99 HO3* RBF 99 -11.761 -10.422 -16.934 1492 HC4* RBF 99 HC4* RBF 99 -12.453 -12.446 -16.164 1493 HO4* RBF 99 HO4* RBF 99 -14.530 -12.724 -17.752 1494 1HC5 RBF 99 1HC5 RBF 99 -14.083 -12.806 -14.379 1495 2HC5 RBF 99 2HC5 RBF 99 -15.406 -12.274 -15.436 1496 HO5* RBF 99 HO5* RBF 99 -15.480 -14.416 -15.787 Start of MODEL 20 1 1H MET 1 1HT MET 1 -15.061 -0.141 -27.803 2 2H MET 1 2HT MET 1 -15.884 -1.022 -28.998 3 3H MET 1 3HT MET 1 -14.449 -0.198 -29.385 4 HA MET 1 HA MET 1 -14.811 -2.794 -28.137 5 1HB MET 1 2HB MET 1 -12.752 -1.295 -29.780 6 2HB MET 1 1HB MET 1 -12.534 -2.969 -29.267 7 1HG MET 1 2HG MET 1 -14.626 -3.597 -30.416 8 2HG MET 1 1HG MET 1 -14.845 -1.924 -30.930 9 1HE MET 1 1HE MET 1 -13.518 -0.730 -32.785 10 2HE MET 1 2HE MET 1 -11.887 -1.216 -33.237 11 3HE MET 1 3HE MET 1 -12.242 -0.802 -31.563 12 H PHE 2 HN PHE 2 -13.982 -3.323 -26.140 13 HA PHE 2 HA PHE 2 -11.536 -2.328 -25.077 14 1HB PHE 2 2HB PHE 2 -12.379 -0.768 -23.425 15 2HB PHE 2 1HB PHE 2 -12.985 -0.257 -24.993 16 HD1 PHE 2 HD1 PHE 2 -13.925 -2.381 -22.048 17 HD2 PHE 2 HD2 PHE 2 -15.296 0.130 -25.265 18 HE1 PHE 2 HE1 PHE 2 -16.246 -2.536 -21.185 19 HE2 PHE 2 HE2 PHE 2 -17.609 -0.046 -24.406 20 HZ PHE 2 HZ PHE 2 -18.088 -1.372 -22.371 21 H THR 3 HN THR 3 -10.971 -3.667 -23.346 22 HA THR 3 HA THR 3 -13.149 -5.402 -22.234 23 HB THR 3 HB THR 3 -11.750 -7.303 -22.632 24 HG1 THR 3 HG1 THR 3 -9.552 -6.781 -23.508 25 1HG2 THR 3 1HG2 THR 3 -12.517 -5.647 -24.733 26 2HG2 THR 3 2HG2 THR 3 -11.944 -7.311 -24.885 27 3HG2 THR 3 3HG2 THR 3 -10.814 -5.971 -25.066 28 H GLY 4 HN GLY 4 -9.939 -3.957 -21.804 29 1HA GLY 4 2HA GLY 4 -8.722 -3.493 -19.851 30 2HA GLY 4 1HA GLY 4 -10.299 -3.334 -19.075 31 H ILE 5 HN ILE 5 -9.628 -6.326 -20.623 32 HA ILE 5 HA ILE 5 -9.909 -7.723 -18.066 33 HB ILE 5 HB ILE 5 -9.278 -8.791 -20.839 34 1HG1 ILE 5 2HG1 ILE 5 -11.211 -7.233 -20.875 35 2HG1 ILE 5 1HG1 ILE 5 -11.707 -8.893 -21.181 36 1HG2 ILE 5 1HG2 ILE 5 -10.421 -9.941 -18.305 37 2HG2 ILE 5 2HG2 ILE 5 -9.163 -10.600 -19.353 38 3HG2 ILE 5 3HG2 ILE 5 -10.850 -10.632 -19.870 39 1HD1 ILE 5 1HD1 ILE 5 -11.703 -7.987 -18.344 40 2HD1 ILE 5 2HD1 ILE 5 -12.810 -9.074 -19.176 41 3HD1 ILE 5 3HD1 ILE 5 -12.958 -7.330 -19.392 42 H VAL 6 HN VAL 6 -8.253 -8.287 -16.776 43 HA VAL 6 HA VAL 6 -5.585 -7.476 -17.515 44 HB VAL 6 HB VAL 6 -7.037 -8.505 -15.103 45 1HG1 VAL 6 1HG1 VAL 6 -4.971 -8.477 -13.780 46 2HG1 VAL 6 2HG1 VAL 6 -4.028 -8.112 -15.225 47 3HG1 VAL 6 3HG1 VAL 6 -4.834 -9.673 -15.069 48 1HG2 VAL 6 1HG2 VAL 6 -6.834 -6.337 -14.408 49 2HG2 VAL 6 2HG2 VAL 6 -6.598 -6.032 -16.127 50 3HG2 VAL 6 3HG2 VAL 6 -5.203 -6.178 -15.057 51 H GLN 7 HN GLN 7 -3.754 -8.692 -17.810 52 HA GLN 7 HA GLN 7 -3.947 -11.480 -18.616 53 1HB GLN 7 2HB GLN 7 -1.660 -9.581 -18.003 54 2HB GLN 7 1HB GLN 7 -1.445 -11.185 -18.707 55 1HG GLN 7 2HG GLN 7 -3.099 -8.943 -19.908 56 2HG GLN 7 1HG GLN 7 -1.505 -9.456 -20.467 57 1HE2 GLN 7 1HE2 GLN 7 -4.821 -9.935 -20.970 58 2HE2 GLN 7 2HE2 GLN 7 -4.738 -11.418 -21.792 59 H GLY 8 HN GLY 8 -2.828 -9.740 -15.676 60 1HA GLY 8 2HA GLY 8 -3.239 -12.119 -14.040 61 2HA GLY 8 1HA GLY 8 -1.530 -11.802 -14.338 62 H THR 9 HN THR 9 -1.905 -11.602 -11.799 63 HA THR 9 HA THR 9 -2.558 -8.735 -11.204 64 HB THR 9 HB THR 9 -2.949 -9.899 -8.853 65 HG1 THR 9 HG1 THR 9 -2.158 -11.921 -9.914 66 1HG2 THR 9 1HG2 THR 9 -4.726 -8.786 -10.038 67 2HG2 THR 9 2HG2 THR 9 -5.316 -10.392 -9.607 68 3HG2 THR 9 3HG2 THR 9 -4.785 -10.062 -11.255 69 H ALA 10 HN ALA 10 -1.442 -8.012 -9.111 70 HA ALA 10 HA ALA 10 1.313 -9.149 -8.809 71 1HB ALA 10 1HB ALA 10 1.393 -6.296 -8.731 72 2HB ALA 10 2HB ALA 10 0.497 -6.754 -10.182 73 3HB ALA 10 3HB ALA 10 2.136 -7.363 -9.922 74 H LYS 11 HN LYS 11 2.205 -8.736 -6.733 75 HA LYS 11 HA LYS 11 0.213 -7.773 -4.708 76 1HB LYS 11 2HB LYS 11 1.058 -10.052 -4.450 77 2HB LYS 11 1HB LYS 11 2.714 -9.462 -4.515 78 1HG LYS 11 2HG LYS 11 2.423 -8.209 -2.465 79 2HG LYS 11 1HG LYS 11 0.704 -8.597 -2.426 80 1HD LYS 11 2HD LYS 11 1.060 -10.699 -1.630 81 2HD LYS 11 1HD LYS 11 2.522 -10.926 -2.594 82 1HE LYS 11 2HE LYS 11 3.738 -9.382 -1.026 83 2HE LYS 11 1HE LYS 11 2.282 -9.344 -0.010 84 1HZ LYS 11 1HZ LYS 11 3.753 -11.791 -0.841 85 2HZ LYS 11 2HZ LYS 11 2.338 -11.762 0.098 86 3HZ LYS 11 3HZ LYS 11 3.781 -11.105 0.709 87 H LEU 12 HN LEU 12 0.583 -5.661 -4.132 88 HA LEU 12 HA LEU 12 3.058 -4.221 -4.428 89 1HB LEU 12 2HB LEU 12 0.587 -3.464 -3.967 90 2HB LEU 12 1HB LEU 12 0.986 -3.764 -2.288 91 HG LEU 12 HG LEU 12 2.791 -2.158 -2.357 92 1HD1 LEU 12 1HD1 LEU 12 3.796 -2.361 -4.457 93 2HD1 LEU 12 2HD1 LEU 12 2.947 -0.824 -4.622 94 3HD1 LEU 12 3HD1 LEU 12 2.256 -2.294 -5.311 95 1HD2 LEU 12 1HD2 LEU 12 0.064 -1.517 -2.835 96 2HD2 LEU 12 2HD2 LEU 12 1.023 -0.400 -3.807 97 3HD2 LEU 12 3HD2 LEU 12 1.285 -0.503 -2.066 98 H VAL 13 HN VAL 13 4.862 -4.429 -3.207 99 HA VAL 13 HA VAL 13 4.614 -5.777 -0.546 100 HB VAL 13 HB VAL 13 5.466 -7.384 -2.040 101 1HG1 VAL 13 1HG1 VAL 13 7.736 -6.364 -3.276 102 2HG1 VAL 13 2HG1 VAL 13 6.542 -5.077 -3.431 103 3HG1 VAL 13 3HG1 VAL 13 6.183 -6.693 -4.048 104 1HG2 VAL 13 1HG2 VAL 13 6.821 -7.301 -0.043 105 2HG2 VAL 13 2HG2 VAL 13 7.772 -5.968 -0.695 106 3HG2 VAL 13 3HG2 VAL 13 7.901 -7.574 -1.410 107 H SER 14 HN SER 14 6.237 -3.401 -2.555 108 HA SER 14 HA SER 14 7.230 -2.110 -0.041 109 1HB SER 14 2HB SER 14 8.798 -3.758 -1.618 110 2HB SER 14 1HB SER 14 9.219 -2.146 -2.186 111 HG SER 14 HG SER 14 10.087 -3.323 -0.032 112 H ILE 15 HN ILE 15 7.315 0.134 -0.188 113 HA ILE 15 HA ILE 15 6.724 1.352 -2.870 114 HB ILE 15 HB ILE 15 6.455 2.649 -0.149 115 1HG1 ILE 15 2HG1 ILE 15 4.431 1.060 -1.746 116 2HG1 ILE 15 1HG1 ILE 15 5.058 0.686 -0.142 117 1HG2 ILE 15 1HG2 ILE 15 6.355 4.341 -1.738 118 2HG2 ILE 15 2HG2 ILE 15 4.652 3.874 -1.669 119 3HG2 ILE 15 3HG2 ILE 15 5.679 3.282 -2.975 120 1HD1 ILE 15 1HD1 ILE 15 3.120 2.829 -0.952 121 2HD1 ILE 15 2HD1 ILE 15 4.144 3.084 0.459 122 3HD1 ILE 15 3HD1 ILE 15 3.037 1.712 0.408 123 H ASP 16 HN ASP 16 8.259 2.688 -3.706 124 HA ASP 16 HA ASP 16 10.593 3.412 -1.990 125 1HB ASP 16 2HB ASP 16 10.231 2.851 -4.928 126 2HB ASP 16 1HB ASP 16 11.645 3.729 -4.341 127 H GLU 17 HN GLU 17 10.371 5.506 -1.300 128 HA GLU 17 HA GLU 17 8.890 7.432 -3.026 129 1HB GLU 17 2HB GLU 17 9.765 7.398 -0.122 130 2HB GLU 17 1HB GLU 17 8.912 8.751 -0.867 131 1HG GLU 17 2HG GLU 17 7.039 7.255 -1.451 132 2HG GLU 17 1HG GLU 17 7.888 5.901 -0.704 133 H LYS 18 HN LYS 18 10.283 8.469 -4.436 134 HA LYS 18 HA LYS 18 12.934 9.395 -3.402 135 1HB LYS 18 2HB LYS 18 11.942 9.494 -6.255 136 2HB LYS 18 1HB LYS 18 13.606 9.444 -5.678 137 1HG LYS 18 2HG LYS 18 12.513 7.128 -4.620 138 2HG LYS 18 1HG LYS 18 11.758 7.238 -6.212 139 1HD LYS 18 2HD LYS 18 13.793 6.054 -6.570 140 2HD LYS 18 1HD LYS 18 14.109 7.700 -7.123 141 1HE LYS 18 2HE LYS 18 15.366 8.236 -5.182 142 2HE LYS 18 1HE LYS 18 14.739 6.834 -4.292 143 1HZ LYS 18 1HZ LYS 18 15.726 5.481 -6.200 144 2HZ LYS 18 2HZ LYS 18 16.808 6.120 -5.057 145 3HZ LYS 18 3HZ LYS 18 16.624 6.871 -6.569 146 HA PRO 19 HA PRO 19 11.212 13.416 -2.843 147 1HB PRO 19 2HB PRO 19 13.605 14.778 -3.466 148 2HB PRO 19 1HB PRO 19 13.090 14.245 -1.855 149 1HG PRO 19 2HG PRO 19 14.987 12.981 -3.748 150 2HG PRO 19 1HG PRO 19 14.983 12.980 -1.977 151 1HD PRO 19 2HD PRO 19 14.264 10.817 -3.408 152 2HD PRO 19 1HD PRO 19 13.501 11.213 -1.849 153 H ASN 20 HN ASN 20 12.721 12.289 -5.756 154 HA ASN 20 HA ASN 20 11.806 14.673 -7.301 155 1HB ASN 20 2HB ASN 20 13.137 12.293 -8.547 156 2HB ASN 20 1HB ASN 20 13.368 14.004 -8.895 157 1HD2 ASN 20 1HD2 ASN 20 13.772 14.679 -5.996 158 2HD2 ASN 20 2HD2 ASN 20 15.300 14.078 -5.595 159 H PHE 21 HN PHE 21 11.263 11.242 -6.848 160 HA PHE 21 HA PHE 21 8.732 11.397 -8.421 161 1HB PHE 21 2HB PHE 21 10.978 9.421 -8.945 162 2HB PHE 21 1HB PHE 21 9.455 9.524 -9.826 163 HD1 PHE 21 HD1 PHE 21 12.837 10.494 -9.858 164 HD2 PHE 21 HD2 PHE 21 8.904 11.963 -10.775 165 HE1 PHE 21 HE1 PHE 21 13.825 12.185 -11.384 166 HE2 PHE 21 HE2 PHE 21 9.890 13.655 -12.301 167 HZ PHE 21 HZ PHE 21 12.351 13.766 -12.605 168 H ARG 22 HN ARG 22 7.245 9.702 -7.829 169 HA ARG 22 HA ARG 22 8.006 8.188 -5.380 170 1HB ARG 22 2HB ARG 22 5.891 9.472 -5.410 171 2HB ARG 22 1HB ARG 22 5.348 8.522 -6.792 172 1HG ARG 22 2HG ARG 22 5.315 6.501 -5.512 173 2HG ARG 22 1HG ARG 22 6.167 7.264 -4.169 174 1HD ARG 22 2HD ARG 22 4.234 8.744 -3.764 175 2HD ARG 22 1HD ARG 22 3.368 7.986 -5.116 176 HE ARG 22 HE ARG 22 4.088 5.809 -3.637 177 1HH1 ARG 22 1HH1 ARG 22 2.633 8.839 -2.826 178 2HH1 ARG 22 2HH1 ARG 22 1.764 8.201 -1.472 179 1HH2 ARG 22 1HH2 ARG 22 2.956 4.973 -1.877 180 2HH2 ARG 22 2HH2 ARG 22 1.944 6.018 -0.936 181 H THR 23 HN THR 23 8.068 5.969 -5.383 182 HA THR 23 HA THR 23 7.825 4.587 -8.028 183 HB THR 23 HB THR 23 9.927 4.428 -5.842 184 HG1 THR 23 HG1 THR 23 9.737 6.062 -7.759 185 1HG2 THR 23 1HG2 THR 23 9.186 2.242 -7.109 186 2HG2 THR 23 2HG2 THR 23 10.902 2.602 -6.910 187 3HG2 THR 23 3HG2 THR 23 10.101 2.942 -8.445 188 H HIS 24 HN HIS 24 6.801 2.561 -7.923 189 HA HIS 24 HA HIS 24 6.228 1.500 -5.181 190 1HB HIS 24 2HB HIS 24 4.476 2.450 -7.306 191 2HB HIS 24 1HB HIS 24 4.077 0.806 -6.796 192 HD1 HIS 24 HD1 HIS 24 2.921 3.949 -6.006 193 HD2 HIS 24 HD2 HIS 24 4.612 0.989 -3.608 194 HE1 HIS 24 HE1 HIS 24 2.246 4.479 -3.620 195 H VAL 25 HN VAL 25 6.592 -0.677 -4.950 196 HA VAL 25 HA VAL 25 7.313 -2.191 -7.423 197 HB VAL 25 HB VAL 25 8.234 -2.703 -4.603 198 1HG1 VAL 25 1HG1 VAL 25 10.186 -3.695 -5.846 199 2HG1 VAL 25 2HG1 VAL 25 9.300 -3.414 -7.345 200 3HG1 VAL 25 3HG1 VAL 25 8.655 -4.522 -6.133 201 1HG2 VAL 25 1HG2 VAL 25 10.357 -1.452 -5.555 202 2HG2 VAL 25 2HG2 VAL 25 9.029 -0.525 -4.858 203 3HG2 VAL 25 3HG2 VAL 25 9.173 -0.678 -6.609 204 H VAL 26 HN VAL 26 6.209 -4.003 -7.835 205 HA VAL 26 HA VAL 26 4.374 -5.087 -5.731 206 HB VAL 26 HB VAL 26 2.973 -5.726 -7.610 207 1HG1 VAL 26 1HG1 VAL 26 3.082 -3.269 -6.874 208 2HG1 VAL 26 2HG1 VAL 26 2.401 -3.576 -8.471 209 3HG1 VAL 26 3HG1 VAL 26 4.058 -2.992 -8.318 210 1HG2 VAL 26 1HG2 VAL 26 3.833 -5.063 -9.959 211 2HG2 VAL 26 2HG2 VAL 26 4.516 -6.514 -9.225 212 3HG2 VAL 26 3HG2 VAL 26 5.430 -5.006 -9.213 213 H GLU 27 HN GLU 27 3.950 -7.533 -6.156 214 HA GLU 27 HA GLU 27 6.543 -8.911 -6.664 215 1HB GLU 27 2HB GLU 27 4.922 -8.913 -4.509 216 2HB GLU 27 1HB GLU 27 4.155 -10.187 -5.449 217 1HG GLU 27 2HG GLU 27 6.063 -11.551 -5.407 218 2HG GLU 27 1HG GLU 27 7.131 -10.202 -5.021 219 H LEU 28 HN LEU 28 6.627 -9.774 -8.662 220 HA LEU 28 HA LEU 28 4.246 -10.062 -10.294 221 1HB LEU 28 2HB LEU 28 6.784 -9.351 -10.715 222 2HB LEU 28 1HB LEU 28 6.964 -11.069 -11.041 223 HG LEU 28 HG LEU 28 5.318 -10.984 -12.801 224 1HD1 LEU 28 1HD1 LEU 28 4.424 -8.547 -13.315 225 2HD1 LEU 28 2HD1 LEU 28 4.731 -8.300 -11.595 226 3HD1 LEU 28 3HD1 LEU 28 3.609 -9.557 -12.119 227 1HD2 LEU 28 1HD2 LEU 28 7.640 -10.133 -13.291 228 2HD2 LEU 28 2HD2 LEU 28 7.038 -8.496 -13.033 229 3HD2 LEU 28 3HD2 LEU 28 6.402 -9.470 -14.358 230 HA PRO 29 HA PRO 29 3.616 -14.296 -8.987 231 1HB PRO 29 2HB PRO 29 1.566 -14.792 -10.749 232 2HB PRO 29 1HB PRO 29 1.357 -13.992 -9.183 233 1HG PRO 29 2HG PRO 29 1.511 -12.812 -11.902 234 2HG PRO 29 1HG PRO 29 0.537 -12.319 -10.508 235 1HD PRO 29 2HD PRO 29 2.792 -11.019 -11.280 236 2HD PRO 29 1HD PRO 29 2.233 -11.081 -9.594 237 H ASP 30 HN ASP 30 3.342 -16.435 -10.292 238 HA ASP 30 HA ASP 30 5.675 -16.844 -11.814 239 1HB ASP 30 2HB ASP 30 4.411 -18.560 -10.582 240 2HB ASP 30 1HB ASP 30 3.080 -18.412 -11.728 241 H HIS 31 HN HIS 31 2.326 -16.304 -12.963 242 HA HIS 31 HA HIS 31 3.200 -16.685 -15.749 243 1HB HIS 31 2HB HIS 31 0.813 -16.516 -16.221 244 2HB HIS 31 1HB HIS 31 1.059 -17.566 -14.832 245 HD1 HIS 31 HD1 HIS 31 1.644 -14.591 -13.220 246 HD2 HIS 31 HD2 HIS 31 -1.823 -16.140 -14.932 247 HE1 HIS 31 HE1 HIS 31 -0.297 -13.392 -12.121 248 H MET 32 HN MET 32 3.400 -14.123 -13.679 249 HA MET 32 HA MET 32 3.154 -12.158 -15.935 250 1HB MET 32 2HB MET 32 2.926 -11.873 -12.929 251 2HB MET 32 1HB MET 32 3.044 -10.488 -14.015 252 1HG MET 32 2HG MET 32 0.906 -12.636 -14.122 253 2HG MET 32 1HG MET 32 0.686 -11.000 -13.499 254 1HE MET 32 1HE MET 32 2.319 -9.094 -15.843 255 2HE MET 32 2HE MET 32 1.119 -9.038 -14.555 256 3HE MET 32 3HE MET 32 0.644 -8.655 -16.208 257 H LEU 33 HN LEU 33 5.277 -13.863 -13.887 258 HA LEU 33 HA LEU 33 7.444 -11.948 -13.689 259 1HB LEU 33 2HB LEU 33 7.040 -14.912 -13.379 260 2HB LEU 33 1HB LEU 33 8.677 -14.257 -13.369 261 HG LEU 33 HG LEU 33 6.525 -13.068 -11.614 262 1HD1 LEU 33 1HD1 LEU 33 8.292 -15.472 -11.080 263 2HD1 LEU 33 2HD1 LEU 33 6.534 -15.386 -10.973 264 3HD1 LEU 33 3HD1 LEU 33 7.530 -14.533 -9.796 265 1HD2 LEU 33 1HD2 LEU 33 8.705 -11.886 -12.043 266 2HD2 LEU 33 2HD2 LEU 33 9.538 -13.264 -11.324 267 3HD2 LEU 33 3HD2 LEU 33 8.440 -12.289 -10.347 268 H ASP 34 HN ASP 34 6.430 -14.343 -16.054 269 HA ASP 34 HA ASP 34 8.909 -14.293 -17.575 270 1HB ASP 34 2HB ASP 34 6.104 -15.351 -17.976 271 2HB ASP 34 1HB ASP 34 7.394 -15.621 -19.153 272 H GLY 35 HN GLY 35 9.367 -13.096 -19.415 273 1HA GLY 35 2HA GLY 35 8.837 -11.922 -21.410 274 2HA GLY 35 1HA GLY 35 7.176 -11.762 -20.846 275 H LEU 36 HN LEU 36 7.780 -10.572 -18.288 276 HA LEU 36 HA LEU 36 7.938 -7.830 -19.204 277 1HB LEU 36 2HB LEU 36 6.460 -8.622 -17.403 278 2HB LEU 36 1HB LEU 36 7.867 -9.056 -16.430 279 HG LEU 36 HG LEU 36 8.604 -6.684 -16.474 280 1HD1 LEU 36 1HD1 LEU 36 7.533 -6.052 -18.603 281 2HD1 LEU 36 2HD1 LEU 36 7.027 -4.971 -17.305 282 3HD1 LEU 36 3HD1 LEU 36 5.943 -6.245 -17.865 283 1HD2 LEU 36 1HD2 LEU 36 5.819 -7.302 -15.460 284 2HD2 LEU 36 2HD2 LEU 36 6.653 -5.793 -15.087 285 3HD2 LEU 36 3HD2 LEU 36 7.331 -7.330 -14.552 286 H GLU 37 HN GLU 37 9.524 -6.279 -18.747 287 HA GLU 37 HA GLU 37 11.934 -7.041 -17.211 288 1HB GLU 37 2HB GLU 37 13.428 -6.510 -19.071 289 2HB GLU 37 1HB GLU 37 12.276 -7.734 -19.609 290 1HG GLU 37 2HG GLU 37 10.879 -5.980 -20.632 291 2HG GLU 37 1HG GLU 37 12.026 -4.751 -20.098 292 H THR 38 HN THR 38 13.373 -4.988 -17.003 293 HA THR 38 HA THR 38 11.789 -2.803 -16.068 294 HB THR 38 HB THR 38 14.321 -1.809 -16.549 295 HG1 THR 38 HG1 THR 38 15.248 -3.579 -17.321 296 1HG2 THR 38 1HG2 THR 38 14.693 -2.987 -14.173 297 2HG2 THR 38 2HG2 THR 38 12.949 -3.211 -14.317 298 3HG2 THR 38 3HG2 THR 38 13.638 -1.588 -14.373 299 H GLY 39 HN GLY 39 11.506 -0.677 -17.004 300 1HA GLY 39 2HA GLY 39 11.323 0.904 -18.752 301 2HA GLY 39 1HA GLY 39 12.323 -0.137 -19.760 302 H ALA 40 HN ALA 40 10.088 -2.180 -18.544 303 HA ALA 40 HA ALA 40 8.485 -2.242 -20.992 304 1HB ALA 40 1HB ALA 40 8.552 -3.702 -18.340 305 2HB ALA 40 2HB ALA 40 9.052 -4.306 -19.922 306 3HB ALA 40 3HB ALA 40 7.340 -4.065 -19.571 307 H SER 41 HN SER 41 6.070 -1.964 -20.946 308 HA SER 41 HA SER 41 5.296 0.111 -18.939 309 1HB SER 41 2HB SER 41 3.299 0.019 -20.770 310 2HB SER 41 1HB SER 41 4.757 0.979 -20.986 311 HG SER 41 HG SER 41 5.338 -0.313 -22.533 312 H VAL 42 HN VAL 42 4.380 -0.844 -17.162 313 HA VAL 42 HA VAL 42 2.526 -3.155 -17.537 314 HB VAL 42 HB VAL 42 4.240 -2.046 -15.356 315 1HG1 VAL 42 1HG1 VAL 42 2.725 -3.648 -13.841 316 2HG1 VAL 42 2HG1 VAL 42 1.473 -3.032 -14.919 317 3HG1 VAL 42 3HG1 VAL 42 2.439 -1.912 -13.959 318 1HG2 VAL 42 1HG2 VAL 42 3.969 -4.427 -16.855 319 2HG2 VAL 42 2HG2 VAL 42 3.551 -4.824 -15.188 320 3HG2 VAL 42 3HG2 VAL 42 5.120 -4.106 -15.557 321 H ALA 43 HN ALA 43 0.366 -2.759 -17.450 322 HA ALA 43 HA ALA 43 -0.574 -0.092 -16.517 323 1HB ALA 43 1HB ALA 43 -2.366 -0.445 -17.919 324 2HB ALA 43 2HB ALA 43 -2.414 -2.176 -17.586 325 3HB ALA 43 3HB ALA 43 -1.220 -1.527 -18.711 326 H HIS 44 HN HIS 44 -1.164 -0.016 -14.400 327 HA HIS 44 HA HIS 44 -1.787 -2.506 -12.919 328 1HB HIS 44 2HB HIS 44 -1.196 0.377 -12.319 329 2HB HIS 44 1HB HIS 44 -2.036 -0.580 -11.099 330 HD1 HIS 44 HD1 HIS 44 0.663 -1.979 -13.398 331 HD2 HIS 44 HD2 HIS 44 0.145 -0.945 -9.380 332 HE1 HIS 44 HE1 HIS 44 2.707 -2.824 -12.161 333 HE2 HIS 44 HE2 HIS 44 2.403 -2.194 -9.728 334 H ASN 45 HN ASN 45 -3.804 -3.193 -13.335 335 HA ASN 45 HA ASN 45 -6.108 -3.224 -13.723 336 1HB ASN 45 2HB ASN 45 -5.761 -1.766 -11.485 337 2HB ASN 45 1HB ASN 45 -6.460 -0.524 -12.530 338 1HD2 ASN 45 1HD2 ASN 45 -7.159 -3.417 -10.726 339 2HD2 ASN 45 2HD2 ASN 45 -8.783 -3.564 -11.179 340 H GLY 46 HN GLY 46 -4.005 -1.440 -15.340 341 1HA GLY 46 2HA GLY 46 -4.683 -1.038 -17.677 342 2HA GLY 46 1HA GLY 46 -6.153 -0.290 -17.058 343 H CYS 47 HN CYS 47 -3.734 0.764 -15.027 344 HA CYS 47 HA CYS 47 -3.457 3.306 -16.557 345 1HB CYS 47 2HB CYS 47 -4.153 3.211 -14.131 346 2HB CYS 47 1HB CYS 47 -2.557 2.567 -13.750 347 HG CYS 47 HG CYS 47 -2.671 5.291 -15.238 348 H CYS 48 HN CYS 48 -1.807 3.066 -18.050 349 HA CYS 48 HA CYS 48 0.323 1.186 -17.710 350 1HB CYS 48 2HB CYS 48 1.124 2.235 -19.829 351 2HB CYS 48 1HB CYS 48 -0.600 1.858 -19.872 352 HG CYS 48 HG CYS 48 -1.093 4.406 -19.399 353 H LEU 49 HN LEU 49 2.251 1.412 -16.740 354 HA LEU 49 HA LEU 49 3.588 4.044 -16.688 355 1HB LEU 49 2HB LEU 49 4.140 3.513 -14.199 356 2HB LEU 49 1HB LEU 49 2.535 4.141 -14.570 357 HG LEU 49 HG LEU 49 2.709 1.216 -14.768 358 1HD1 LEU 49 1HD1 LEU 49 2.512 1.707 -11.977 359 2HD1 LEU 49 2HD1 LEU 49 3.970 2.527 -12.543 360 3HD1 LEU 49 3HD1 LEU 49 3.764 0.796 -12.824 361 1HD2 LEU 49 1HD2 LEU 49 0.928 2.738 -12.893 362 2HD2 LEU 49 2HD2 LEU 49 0.544 1.349 -13.912 363 3HD2 LEU 49 3HD2 LEU 49 0.696 2.953 -14.629 364 H THR 50 HN THR 50 5.946 3.748 -16.236 365 HA THR 50 HA THR 50 6.786 1.240 -17.541 366 HB THR 50 HB THR 50 8.395 3.708 -16.826 367 HG1 THR 50 HG1 THR 50 7.806 3.998 -19.227 368 1HG2 THR 50 1HG2 THR 50 8.748 1.375 -18.699 369 2HG2 THR 50 2HG2 THR 50 9.898 2.046 -17.544 370 3HG2 THR 50 3HG2 THR 50 9.537 2.916 -19.035 371 H VAL 51 HN VAL 51 8.515 -0.072 -16.783 372 HA VAL 51 HA VAL 51 8.661 -0.411 -13.887 373 HB VAL 51 HB VAL 51 10.301 -1.674 -16.109 374 1HG1 VAL 51 1HG1 VAL 51 11.258 -2.398 -14.125 375 2HG1 VAL 51 2HG1 VAL 51 10.017 -3.627 -14.370 376 3HG1 VAL 51 3HG1 VAL 51 9.737 -2.304 -13.237 377 1HG2 VAL 51 1HG2 VAL 51 8.186 -2.168 -16.857 378 2HG2 VAL 51 2HG2 VAL 51 7.469 -2.053 -15.249 379 3HG2 VAL 51 3HG2 VAL 51 8.401 -3.480 -15.701 380 H THR 52 HN THR 52 9.915 1.023 -12.732 381 HA THR 52 HA THR 52 12.265 2.378 -13.783 382 HB THR 52 HB THR 52 12.463 3.135 -11.484 383 HG1 THR 52 HG1 THR 52 11.982 1.810 -9.952 384 1HG2 THR 52 1HG2 THR 52 10.325 4.123 -11.189 385 2HG2 THR 52 2HG2 THR 52 9.508 2.762 -11.958 386 3HG2 THR 52 3HG2 THR 52 10.482 3.866 -12.927 387 H GLU 53 HN GLU 53 11.649 -0.498 -11.775 388 HA GLU 53 HA GLU 53 14.261 -1.617 -12.574 389 1HB GLU 53 2HB GLU 53 14.821 -0.046 -10.761 390 2HB GLU 53 1HB GLU 53 13.642 -0.829 -9.708 391 1HG GLU 53 2HG GLU 53 14.897 -2.947 -9.873 392 2HG GLU 53 1HG GLU 53 16.080 -2.164 -10.922 393 H ILE 54 HN ILE 54 14.466 -3.850 -11.944 394 HA ILE 54 HA ILE 54 11.938 -5.118 -10.912 395 HB ILE 54 HB ILE 54 14.188 -6.131 -12.690 396 1HG1 ILE 54 2HG1 ILE 54 11.356 -6.252 -13.520 397 2HG1 ILE 54 1HG1 ILE 54 12.010 -4.623 -13.356 398 1HG2 ILE 54 1HG2 ILE 54 13.618 -8.083 -11.583 399 2HG2 ILE 54 2HG2 ILE 54 12.373 -8.085 -12.833 400 3HG2 ILE 54 3HG2 ILE 54 11.991 -7.517 -11.206 401 1HD1 ILE 54 1HD1 ILE 54 13.405 -4.865 -15.144 402 2HD1 ILE 54 2HD1 ILE 54 12.296 -6.162 -15.597 403 3HD1 ILE 54 3HD1 ILE 54 13.789 -6.538 -14.735 404 H ASN 55 HN ASN 55 12.111 -6.076 -8.973 405 HA ASN 55 HA ASN 55 14.834 -6.413 -7.784 406 1HB ASN 55 2HB ASN 55 12.046 -5.967 -6.730 407 2HB ASN 55 1HB ASN 55 13.303 -6.612 -5.672 408 1HD2 ASN 55 1HD2 ASN 55 12.072 -3.721 -7.128 409 2HD2 ASN 55 2HD2 ASN 55 13.308 -2.678 -6.613 410 H GLY 56 HN GLY 56 14.661 -8.391 -9.415 411 1HA GLY 56 2HA GLY 56 14.656 -10.764 -9.495 412 2HA GLY 56 1HA GLY 56 14.012 -10.788 -7.850 413 H ASN 57 HN ASN 57 11.909 -11.415 -7.689 414 HA ASN 57 HA ASN 57 10.250 -11.580 -10.099 415 1HB ASN 57 2HB ASN 57 9.183 -13.158 -8.863 416 2HB ASN 57 1HB ASN 57 10.483 -12.942 -7.712 417 1HD2 ASN 57 1HD2 ASN 57 7.387 -11.428 -8.582 418 2HD2 ASN 57 2HD2 ASN 57 6.904 -11.071 -6.995 419 H HIS 58 HN HIS 58 10.828 -9.322 -7.538 420 HA HIS 58 HA HIS 58 8.241 -7.982 -7.614 421 1HB HIS 58 2HB HIS 58 10.990 -7.480 -6.519 422 2HB HIS 58 1HB HIS 58 9.798 -6.184 -6.494 423 HD1 HIS 58 HD1 HIS 58 11.021 -8.448 -4.212 424 HD2 HIS 58 HD2 HIS 58 7.123 -7.670 -5.475 425 HE1 HIS 58 HE1 HIS 58 9.485 -9.278 -2.378 426 H VAL 59 HN VAL 59 7.935 -5.784 -8.467 427 HA VAL 59 HA VAL 59 10.020 -4.860 -10.364 428 HB VAL 59 HB VAL 59 7.129 -5.478 -10.989 429 1HG1 VAL 59 1HG1 VAL 59 7.522 -4.440 -13.172 430 2HG1 VAL 59 2HG1 VAL 59 9.157 -4.002 -12.679 431 3HG1 VAL 59 3HG1 VAL 59 7.771 -3.253 -11.890 432 1HG2 VAL 59 1HG2 VAL 59 9.772 -6.653 -11.517 433 2HG2 VAL 59 2HG2 VAL 59 8.796 -6.447 -12.975 434 3HG2 VAL 59 3HG2 VAL 59 8.172 -7.395 -11.626 435 H SER 60 HN SER 60 10.406 -2.772 -9.867 436 HA SER 60 HA SER 60 8.456 -1.151 -8.352 437 1HB SER 60 2HB SER 60 11.276 -0.571 -9.299 438 2HB SER 60 1HB SER 60 10.393 0.294 -8.048 439 HG SER 60 HG SER 60 11.585 -1.151 -6.945 440 H PHE 61 HN PHE 61 7.152 0.344 -9.433 441 HA PHE 61 HA PHE 61 7.945 1.087 -12.227 442 1HB PHE 61 2HB PHE 61 5.236 1.208 -10.858 443 2HB PHE 61 1HB PHE 61 5.557 1.426 -12.576 444 HD1 PHE 61 HD1 PHE 61 6.140 -0.477 -14.011 445 HD2 PHE 61 HD2 PHE 61 5.311 -0.996 -9.826 446 HE1 PHE 61 HE1 PHE 61 5.904 -2.921 -14.360 447 HE2 PHE 61 HE2 PHE 61 5.074 -3.439 -10.175 448 HZ PHE 61 HZ PHE 61 5.368 -4.404 -12.443 449 H ASP 62 HN ASP 62 7.454 3.360 -12.850 450 HA ASP 62 HA ASP 62 8.021 5.234 -10.612 451 1HB ASP 62 2HB ASP 62 8.438 6.810 -12.483 452 2HB ASP 62 1HB ASP 62 9.331 5.309 -12.710 453 H LEU 63 HN LEU 63 6.753 6.984 -10.098 454 HA LEU 63 HA LEU 63 4.114 7.345 -11.390 455 1HB LEU 63 2HB LEU 63 4.671 5.678 -9.118 456 2HB LEU 63 1HB LEU 63 3.702 7.043 -8.588 457 HG LEU 63 HG LEU 63 2.685 6.049 -11.099 458 1HD1 LEU 63 1HD1 LEU 63 2.532 3.799 -10.804 459 2HD1 LEU 63 2HD1 LEU 63 2.241 3.954 -9.072 460 3HD1 LEU 63 3HD1 LEU 63 3.893 4.017 -9.697 461 1HD2 LEU 63 1HD2 LEU 63 1.607 7.328 -9.047 462 2HD2 LEU 63 2HD2 LEU 63 1.314 5.700 -8.441 463 3HD2 LEU 63 3HD2 LEU 63 0.622 6.204 -9.984 464 H MET 64 HN MET 64 4.005 9.586 -11.515 465 HA MET 64 HA MET 64 5.604 11.307 -9.792 466 1HB MET 64 2HB MET 64 3.345 11.786 -11.758 467 2HB MET 64 1HB MET 64 4.260 13.082 -10.996 468 1HG MET 64 2HG MET 64 5.652 10.861 -12.484 469 2HG MET 64 1HG MET 64 5.024 12.272 -13.336 470 1HE MET 64 1HE MET 64 5.970 15.038 -11.443 471 2HE MET 64 2HE MET 64 5.327 14.379 -12.944 472 3HE MET 64 3HE MET 64 6.968 15.021 -12.903 473 H LYS 65 HN LYS 65 4.885 12.488 -7.980 474 HA LYS 65 HA LYS 65 2.832 11.405 -6.358 475 1HB LYS 65 2HB LYS 65 4.749 12.757 -5.587 476 2HB LYS 65 1HB LYS 65 4.081 14.174 -6.396 477 1HG LYS 65 2HG LYS 65 2.070 14.043 -4.970 478 2HG LYS 65 1HG LYS 65 2.741 12.629 -4.157 479 1HD LYS 65 2HD LYS 65 4.726 14.024 -3.502 480 2HD LYS 65 1HD LYS 65 3.897 15.429 -4.173 481 1HE LYS 65 2HE LYS 65 3.269 15.547 -1.913 482 2HE LYS 65 1HE LYS 65 1.918 14.622 -2.601 483 1HZ LYS 65 1HZ LYS 65 4.288 13.097 -1.883 484 2HZ LYS 65 2HZ LYS 65 2.645 12.699 -1.706 485 3HZ LYS 65 3HZ LYS 65 3.400 13.725 -0.582 486 H GLU 66 HN GLU 66 2.798 14.327 -8.435 487 HA GLU 66 HA GLU 66 0.051 15.002 -7.825 488 1HB GLU 66 2HB GLU 66 1.751 16.593 -8.659 489 2HB GLU 66 1HB GLU 66 1.853 15.692 -10.173 490 1HG GLU 66 2HG GLU 66 -0.523 16.164 -10.622 491 2HG GLU 66 1HG GLU 66 -0.638 17.055 -9.104 492 H THR 67 HN THR 67 1.607 13.153 -10.446 493 HA THR 67 HA THR 67 -0.781 12.535 -11.938 494 HB THR 67 HB THR 67 1.754 10.940 -11.440 495 HG1 THR 67 HG1 THR 67 1.956 11.957 -13.732 496 1HG2 THR 67 1HG2 THR 67 0.557 9.359 -12.549 497 2HG2 THR 67 2HG2 THR 67 0.918 10.343 -13.968 498 3HG2 THR 67 3HG2 THR 67 -0.626 10.529 -13.137 499 H LEU 68 HN LEU 68 0.789 11.068 -9.111 500 HA LEU 68 HA LEU 68 -0.783 8.735 -8.859 501 1HB LEU 68 2HB LEU 68 1.336 9.274 -7.701 502 2HB LEU 68 1HB LEU 68 0.528 10.565 -6.817 503 HG LEU 68 HG LEU 68 -1.117 8.640 -6.093 504 1HD1 LEU 68 1HD1 LEU 68 0.508 6.571 -5.759 505 2HD1 LEU 68 2HD1 LEU 68 1.294 7.235 -7.191 506 3HD1 LEU 68 3HD1 LEU 68 -0.402 6.757 -7.259 507 1HD2 LEU 68 1HD2 LEU 68 0.344 9.958 -4.609 508 2HD2 LEU 68 2HD2 LEU 68 1.706 8.923 -5.028 509 3HD2 LEU 68 3HD2 LEU 68 0.340 8.259 -4.128 510 H ARG 69 HN ARG 69 -1.199 12.008 -7.508 511 HA ARG 69 HA ARG 69 -3.749 11.481 -6.226 512 1HB ARG 69 2HB ARG 69 -2.109 13.277 -5.655 513 2HB ARG 69 1HB ARG 69 -2.467 14.053 -7.197 514 1HG ARG 69 2HG ARG 69 -4.827 14.290 -6.543 515 2HG ARG 69 1HG ARG 69 -4.483 13.500 -5.002 516 1HD ARG 69 2HD ARG 69 -2.861 15.306 -4.456 517 2HD ARG 69 1HD ARG 69 -3.293 16.123 -5.972 518 HE ARG 69 HE ARG 69 -5.747 15.702 -4.835 519 1HH1 ARG 69 1HH1 ARG 69 -2.762 16.991 -3.659 520 2HH1 ARG 69 2HH1 ARG 69 -3.523 18.044 -2.515 521 1HH2 ARG 69 1HH2 ARG 69 -6.743 17.073 -3.346 522 2HH2 ARG 69 2HH2 ARG 69 -5.770 18.092 -2.338 523 H ILE 70 HN ILE 70 -2.775 12.823 -9.381 524 HA ILE 70 HA ILE 70 -5.355 13.678 -10.217 525 HB ILE 70 HB ILE 70 -2.738 13.852 -11.012 526 1HG1 ILE 70 2HG1 ILE 70 -5.099 14.474 -12.793 527 2HG1 ILE 70 1HG1 ILE 70 -4.661 15.432 -11.377 528 1HG2 ILE 70 1HG2 ILE 70 -2.723 13.049 -13.402 529 2HG2 ILE 70 2HG2 ILE 70 -4.176 12.120 -13.031 530 3HG2 ILE 70 3HG2 ILE 70 -2.663 11.763 -12.198 531 1HD1 ILE 70 1HD1 ILE 70 -3.716 16.388 -13.466 532 2HD1 ILE 70 2HD1 ILE 70 -2.833 14.886 -13.735 533 3HD1 ILE 70 3HD1 ILE 70 -2.455 15.894 -12.338 534 H THR 71 HN THR 71 -3.546 10.696 -10.738 535 HA THR 71 HA THR 71 -5.773 9.383 -12.132 536 HB THR 71 HB THR 71 -4.180 7.538 -12.272 537 HG1 THR 71 HG1 THR 71 -2.274 8.936 -10.802 538 1HG2 THR 71 1HG2 THR 71 -2.579 8.562 -13.608 539 2HG2 THR 71 2HG2 THR 71 -2.417 9.948 -12.529 540 3HG2 THR 71 3HG2 THR 71 -3.836 9.798 -13.564 541 H ASN 72 HN ASN 72 -5.951 6.953 -11.097 542 HA ASN 72 HA ASN 72 -6.600 7.314 -8.205 543 1HB ASN 72 2HB ASN 72 -8.507 6.609 -9.411 544 2HB ASN 72 1HB ASN 72 -7.562 5.560 -10.456 545 1HD2 ASN 72 1HD2 ASN 72 -8.813 3.647 -9.950 546 2HD2 ASN 72 2HD2 ASN 72 -8.758 2.918 -8.419 547 H LEU 73 HN LEU 73 -3.911 6.836 -9.633 548 HA LEU 73 HA LEU 73 -3.079 4.126 -8.986 549 1HB LEU 73 2HB LEU 73 -1.642 6.760 -9.448 550 2HB LEU 73 1HB LEU 73 -0.811 5.215 -9.283 551 HG LEU 73 HG LEU 73 -2.953 5.776 -11.359 552 1HD1 LEU 73 1HD1 LEU 73 -1.352 6.472 -12.819 553 2HD1 LEU 73 2HD1 LEU 73 -0.148 5.349 -12.187 554 3HD1 LEU 73 3HD1 LEU 73 -0.455 6.874 -11.356 555 1HD2 LEU 73 1HD2 LEU 73 -1.931 3.372 -10.352 556 2HD2 LEU 73 2HD2 LEU 73 -1.042 3.629 -11.853 557 3HD2 LEU 73 3HD2 LEU 73 -2.805 3.578 -11.870 558 H GLY 74 HN GLY 74 -2.932 7.273 -7.308 559 1HA GLY 74 2HA GLY 74 -1.332 6.644 -5.137 560 2HA GLY 74 1HA GLY 74 -2.694 7.749 -5.031 561 H ASP 75 HN ASP 75 -4.505 5.419 -5.849 562 HA ASP 75 HA ASP 75 -5.395 4.774 -3.226 563 1HB ASP 75 2HB ASP 75 -6.958 3.349 -4.402 564 2HB ASP 75 1HB ASP 75 -6.663 4.761 -5.416 565 H LEU 76 HN LEU 76 -2.924 3.330 -5.182 566 HA LEU 76 HA LEU 76 -2.991 0.642 -4.277 567 1HB LEU 76 2HB LEU 76 -0.677 2.423 -5.058 568 2HB LEU 76 1HB LEU 76 -0.607 0.666 -4.983 569 HG LEU 76 HG LEU 76 -2.539 2.230 -6.717 570 1HD1 LEU 76 1HD1 LEU 76 -0.911 2.353 -8.265 571 2HD1 LEU 76 2HD1 LEU 76 -0.661 0.610 -8.166 572 3HD1 LEU 76 3HD1 LEU 76 0.228 1.689 -7.093 573 1HD2 LEU 76 1HD2 LEU 76 -2.018 -0.534 -7.426 574 2HD2 LEU 76 2HD2 LEU 76 -3.558 0.247 -7.069 575 3HD2 LEU 76 3HD2 LEU 76 -2.583 -0.420 -5.758 576 H LYS 77 HN LYS 77 -2.192 -0.368 -2.515 577 HA LYS 77 HA LYS 77 -0.477 1.121 -0.586 578 1HB LYS 77 2HB LYS 77 -3.080 -0.316 0.051 579 2HB LYS 77 1HB LYS 77 -1.957 0.292 1.267 580 1HG LYS 77 2HG LYS 77 -2.222 2.576 0.378 581 2HG LYS 77 1HG LYS 77 -3.349 1.974 -0.837 582 1HD LYS 77 2HD LYS 77 -4.862 1.191 0.949 583 2HD LYS 77 1HD LYS 77 -3.737 1.798 2.165 584 1HE LYS 77 2HE LYS 77 -4.293 3.891 0.252 585 2HE LYS 77 1HE LYS 77 -5.814 3.252 0.908 586 1HZ LYS 77 1HZ LYS 77 -3.483 3.794 2.645 587 2HZ LYS 77 2HZ LYS 77 -5.111 3.601 3.090 588 3HZ LYS 77 3HZ LYS 77 -4.608 5.010 2.283 589 H VAL 78 HN VAL 78 1.073 -0.243 0.310 590 HA VAL 78 HA VAL 78 1.637 -2.716 -0.946 591 HB VAL 78 HB VAL 78 2.485 -1.699 1.785 592 1HG1 VAL 78 1HG1 VAL 78 3.144 -4.058 0.256 593 2HG1 VAL 78 2HG1 VAL 78 3.726 -3.578 1.851 594 3HG1 VAL 78 3HG1 VAL 78 4.571 -3.021 0.401 595 1HG2 VAL 78 1HG2 VAL 78 4.392 -1.262 -0.301 596 2HG2 VAL 78 2HG2 VAL 78 3.558 -0.062 0.687 597 3HG2 VAL 78 3HG2 VAL 78 2.838 -0.613 -0.826 598 H GLY 79 HN GLY 79 1.441 -4.876 -0.177 599 1HA GLY 79 2HA GLY 79 0.568 -6.602 1.236 600 2HA GLY 79 1HA GLY 79 -0.303 -5.373 2.156 601 H ASP 80 HN ASP 80 -0.977 -4.244 -0.697 602 HA ASP 80 HA ASP 80 -3.413 -5.928 -1.087 603 1HB ASP 80 2HB ASP 80 -3.327 -3.347 -0.780 604 2HB ASP 80 1HB ASP 80 -2.720 -3.314 -2.432 605 H TRP 81 HN TRP 81 -3.989 -6.292 -3.455 606 HA TRP 81 HA TRP 81 -1.499 -6.744 -5.080 607 1HB TRP 81 2HB TRP 81 -4.110 -8.258 -4.838 608 2HB TRP 81 1HB TRP 81 -2.978 -8.542 -6.156 609 HD1 TRP 81 HD1 TRP 81 -2.431 -8.058 -2.346 610 HE1 TRP 81 HE1 TRP 81 -0.920 -9.964 -1.514 611 HE3 TRP 81 HE3 TRP 81 -1.850 -10.683 -6.690 612 HZ2 TRP 81 HZ2 TRP 81 0.359 -12.307 -2.542 613 HZ3 TRP 81 HZ3 TRP 81 -0.480 -12.752 -6.734 614 HH2 TRP 81 HH2 TRP 81 0.625 -13.564 -4.666 615 H VAL 82 HN VAL 82 -1.753 -6.383 -7.383 616 HA VAL 82 HA VAL 82 -3.937 -4.470 -8.085 617 HB VAL 82 HB VAL 82 -1.919 -3.236 -8.022 618 1HG1 VAL 82 1HG1 VAL 82 -0.342 -4.984 -7.585 619 2HG1 VAL 82 2HG1 VAL 82 0.202 -4.177 -9.058 620 3HG1 VAL 82 3HG1 VAL 82 -0.647 -5.720 -9.157 621 1HG2 VAL 82 1HG2 VAL 82 -1.458 -4.133 -10.810 622 2HG2 VAL 82 2HG2 VAL 82 -1.713 -2.501 -10.182 623 3HG2 VAL 82 3HG2 VAL 82 -3.093 -3.571 -10.443 624 H ASN 83 HN ASN 83 -4.668 -4.568 -10.276 625 HA ASN 83 HA ASN 83 -4.445 -7.173 -11.657 626 1HB ASN 83 2HB ASN 83 -6.102 -4.744 -11.640 627 2HB ASN 83 1HB ASN 83 -5.756 -5.305 -13.268 628 1HD2 ASN 83 1HD2 ASN 83 -8.258 -5.732 -13.067 629 2HD2 ASN 83 2HD2 ASN 83 -8.702 -7.266 -12.496 630 H VAL 84 HN VAL 84 -2.409 -7.382 -12.613 631 HA VAL 84 HA VAL 84 -1.259 -4.946 -13.887 632 HB VAL 84 HB VAL 84 0.816 -6.632 -13.865 633 1HG1 VAL 84 1HG1 VAL 84 -0.125 -5.346 -11.298 634 2HG1 VAL 84 2HG1 VAL 84 0.410 -4.402 -12.692 635 3HG1 VAL 84 3HG1 VAL 84 1.528 -5.511 -11.897 636 1HG2 VAL 84 1HG2 VAL 84 -0.887 -7.575 -11.534 637 2HG2 VAL 84 2HG2 VAL 84 0.771 -8.067 -11.880 638 3HG2 VAL 84 3HG2 VAL 84 -0.533 -8.532 -12.973 639 H GLU 85 HN GLU 85 -0.773 -4.860 -16.001 640 HA GLU 85 HA GLU 85 -1.171 -7.328 -17.671 641 1HB GLU 85 2HB GLU 85 -3.229 -5.952 -17.590 642 2HB GLU 85 1HB GLU 85 -2.306 -4.545 -18.117 643 1HG GLU 85 2HG GLU 85 -1.727 -5.703 -20.216 644 2HG GLU 85 1HG GLU 85 -2.652 -7.111 -19.695 645 H ARG 86 HN ARG 86 0.391 -7.518 -19.272 646 HA ARG 86 HA ARG 86 2.621 -5.652 -19.226 647 1HB ARG 86 2HB ARG 86 2.849 -8.094 -19.462 648 2HB ARG 86 1HB ARG 86 1.964 -8.034 -20.987 649 1HG ARG 86 2HG ARG 86 3.703 -6.648 -21.990 650 2HG ARG 86 1HG ARG 86 4.566 -6.572 -20.452 651 1HD ARG 86 2HD ARG 86 5.596 -8.278 -21.901 652 2HD ARG 86 1HD ARG 86 4.808 -9.073 -20.524 653 HE ARG 86 HE ARG 86 2.926 -8.761 -22.672 654 1HH1 ARG 86 1HH1 ARG 86 5.709 -10.550 -21.669 655 2HH1 ARG 86 2HH1 ARG 86 5.293 -11.957 -22.588 656 1HH2 ARG 86 1HH2 ARG 86 2.378 -10.592 -23.872 657 2HH2 ARG 86 2HH2 ARG 86 3.411 -11.981 -23.833 658 H ALA 87 HN ALA 87 2.936 -3.932 -20.568 659 HA ALA 87 HA ALA 87 1.283 -3.743 -23.059 660 1HB ALA 87 1HB ALA 87 1.002 -2.177 -20.913 661 2HB ALA 87 2HB ALA 87 0.852 -1.529 -22.548 662 3HB ALA 87 3HB ALA 87 2.361 -1.333 -21.658 663 H ALA 88 HN ALA 88 2.357 -3.038 -24.908 664 HA ALA 88 HA ALA 88 5.329 -2.666 -24.692 665 1HB ALA 88 1HB ALA 88 5.231 -4.762 -25.632 666 2HB ALA 88 2HB ALA 88 4.967 -3.841 -27.113 667 3HB ALA 88 3HB ALA 88 3.594 -4.520 -26.239 668 H LYS 89 HN LYS 89 6.172 -1.025 -25.985 669 HA LYS 89 HA LYS 89 4.387 0.958 -27.117 670 1HB LYS 89 2HB LYS 89 6.556 1.971 -27.808 671 2HB LYS 89 1HB LYS 89 6.575 1.463 -26.119 672 1HG LYS 89 2HG LYS 89 7.426 -0.819 -27.358 673 2HG LYS 89 1HG LYS 89 8.108 0.417 -28.416 674 1HD LYS 89 2HD LYS 89 9.176 1.513 -26.511 675 2HD LYS 89 1HD LYS 89 8.431 0.359 -25.403 676 1HE LYS 89 2HE LYS 89 9.676 -1.488 -26.429 677 2HE LYS 89 1HE LYS 89 10.382 -0.375 -27.617 678 1HZ LYS 89 1HZ LYS 89 10.592 0.511 -24.874 679 2HZ LYS 89 2HZ LYS 89 11.763 0.503 -26.105 680 3HZ LYS 89 3HZ LYS 89 11.464 -0.906 -25.206 681 H PHE 90 HN PHE 90 5.908 -1.925 -28.332 682 HA PHE 90 HA PHE 90 4.611 -1.412 -30.964 683 1HB PHE 90 2HB PHE 90 6.610 -2.054 -32.162 684 2HB PHE 90 1HB PHE 90 7.066 -0.798 -31.014 685 HD1 PHE 90 HD1 PHE 90 8.464 -1.294 -29.084 686 HD2 PHE 90 HD2 PHE 90 7.180 -4.418 -31.743 687 HE1 PHE 90 HE1 PHE 90 10.097 -2.849 -28.045 688 HE2 PHE 90 HE2 PHE 90 8.813 -5.972 -30.706 689 HZ PHE 90 HZ PHE 90 10.272 -5.188 -28.858 690 H SER 91 HN SER 91 4.253 -3.447 -32.152 691 HA SER 91 HA SER 91 4.658 -5.940 -30.564 692 1HB SER 91 2HB SER 91 2.280 -6.538 -31.034 693 2HB SER 91 1HB SER 91 2.420 -5.088 -30.043 694 HG SER 91 HG SER 91 0.949 -4.987 -31.904 695 H ASP 92 HN ASP 92 4.813 -7.822 -31.893 696 HA ASP 92 HA ASP 92 5.717 -7.422 -34.616 697 1HB ASP 92 2HB ASP 92 6.414 -9.201 -32.952 698 2HB ASP 92 1HB ASP 92 4.848 -9.968 -33.216 699 H GLU 93 HN GLU 93 2.717 -8.650 -33.151 700 HA GLU 93 HA GLU 93 0.546 -9.028 -34.172 701 1HB GLU 93 2HB GLU 93 1.842 -6.775 -35.731 702 2HB GLU 93 1HB GLU 93 0.140 -7.208 -35.899 703 1HG GLU 93 2HG GLU 93 -0.190 -6.827 -33.479 704 2HG GLU 93 1HG GLU 93 1.510 -6.384 -33.322 705 H ILE 94 HN ILE 94 2.211 -11.018 -34.979 706 HA ILE 94 HA ILE 94 2.754 -11.272 -37.770 707 HB ILE 94 HB ILE 94 2.013 -13.291 -35.625 708 1HG1 ILE 94 2HG1 ILE 94 4.018 -11.895 -35.156 709 2HG1 ILE 94 1HG1 ILE 94 4.444 -13.585 -35.427 710 1HG2 ILE 94 1HG2 ILE 94 2.942 -13.578 -38.463 711 2HG2 ILE 94 2HG2 ILE 94 1.772 -14.547 -37.568 712 3HG2 ILE 94 3HG2 ILE 94 3.497 -14.743 -37.261 713 1HD1 ILE 94 1HD1 ILE 94 6.003 -12.253 -36.688 714 2HD1 ILE 94 2HD1 ILE 94 4.700 -11.290 -37.387 715 3HD1 ILE 94 3HD1 ILE 94 4.889 -12.983 -37.846 716 H GLY 95 HN GLY 95 -0.137 -12.051 -35.842 717 1HA GLY 95 2HA GLY 95 -2.284 -12.764 -36.545 718 2HA GLY 95 1HA GLY 95 -2.104 -11.395 -37.642 719 H GLY 96 HN GLY 96 -0.748 -14.720 -37.459 720 1HA GLY 96 2HA GLY 96 -0.900 -14.905 -40.395 721 2HA GLY 96 1HA GLY 96 -0.205 -16.115 -39.316 722 H HIS 97 HN HIS 97 -2.959 -15.520 -37.788 723 HA HIS 97 HA HIS 97 -4.309 -17.851 -39.001 724 1HB HIS 97 2HB HIS 97 -4.995 -16.106 -36.612 725 2HB HIS 97 1HB HIS 97 -5.687 -17.687 -36.974 726 HD1 HIS 97 HD1 HIS 97 -2.982 -16.132 -35.138 727 HD2 HIS 97 HD2 HIS 97 -3.534 -19.800 -37.039 728 HE1 HIS 97 HE1 HIS 97 -1.205 -17.687 -34.224 729 1H MET 1 1HT MET 1 -1.239 -0.159 -30.465 730 2H MET 1 2HT MET 1 -1.705 -1.011 -29.071 731 3H MET 1 3HT MET 1 -0.059 -0.759 -29.406 732 HA MET 1 HA MET 1 -0.050 1.303 -28.529 733 1HB MET 1 2HB MET 1 -1.351 1.988 -30.540 734 2HB MET 1 1HB MET 1 -2.841 1.556 -29.702 735 1HG MET 1 2HG MET 1 -2.336 3.212 -27.943 736 2HG MET 1 1HG MET 1 -0.846 3.646 -28.779 737 1HE MET 1 1HE MET 1 -1.344 5.788 -31.321 738 2HE MET 1 2HE MET 1 -1.783 4.282 -32.121 739 3HE MET 1 3HE MET 1 -0.565 4.271 -30.848 740 H PHE 2 HN PHE 2 -1.005 2.386 -26.592 741 HA PHE 2 HA PHE 2 -3.404 1.477 -25.362 742 1HB PHE 2 2HB PHE 2 -2.496 0.075 -23.609 743 2HB PHE 2 1HB PHE 2 -1.931 -0.565 -25.146 744 HD1 PHE 2 HD1 PHE 2 -0.922 1.820 -22.428 745 HD2 PHE 2 HD2 PHE 2 0.362 -0.947 -25.458 746 HE1 PHE 2 HE1 PHE 2 1.423 2.067 -21.661 747 HE2 PHE 2 HE2 PHE 2 2.709 -0.696 -24.689 748 HZ PHE 2 HZ PHE 2 3.239 0.811 -22.791 749 H THR 3 HN THR 3 -3.928 2.963 -23.744 750 HA THR 3 HA THR 3 -1.733 4.809 -22.866 751 HB THR 3 HB THR 3 -3.165 6.659 -23.389 752 HG1 THR 3 HG1 THR 3 -5.195 4.690 -23.637 753 1HG2 THR 3 1HG2 THR 3 -3.051 6.460 -25.644 754 2HG2 THR 3 2HG2 THR 3 -4.155 5.086 -25.659 755 3HG2 THR 3 3HG2 THR 3 -2.435 4.829 -25.353 756 H GLY 4 HN GLY 4 -4.913 3.386 -22.204 757 1HA GLY 4 2HA GLY 4 -6.066 3.096 -20.180 758 2HA GLY 4 1HA GLY 4 -4.464 3.015 -19.441 759 H ILE 5 HN ILE 5 -5.209 5.851 -21.235 760 HA ILE 5 HA ILE 5 -4.855 7.478 -18.827 761 HB ILE 5 HB ILE 5 -5.589 8.286 -21.662 762 1HG1 ILE 5 2HG1 ILE 5 -3.641 6.748 -21.624 763 2HG1 ILE 5 1HG1 ILE 5 -3.168 8.382 -22.079 764 1HG2 ILE 5 1HG2 ILE 5 -4.954 10.401 -21.088 765 2HG2 ILE 5 2HG2 ILE 5 -3.694 9.836 -19.988 766 3HG2 ILE 5 3HG2 ILE 5 -5.383 9.864 -19.463 767 1HD1 ILE 5 1HD1 ILE 5 -1.780 8.506 -20.342 768 2HD1 ILE 5 2HD1 ILE 5 -2.126 6.820 -19.973 769 3HD1 ILE 5 3HD1 ILE 5 -3.073 8.104 -19.217 770 H VAL 6 HN VAL 6 -6.483 8.146 -17.538 771 HA VAL 6 HA VAL 6 -9.165 7.251 -18.116 772 HB VAL 6 HB VAL 6 -7.648 8.508 -15.856 773 1HG1 VAL 6 1HG1 VAL 6 -9.784 8.388 -14.492 774 2HG1 VAL 6 2HG1 VAL 6 -10.665 8.242 -16.012 775 3HG1 VAL 6 3HG1 VAL 6 -9.738 9.701 -15.666 776 1HG2 VAL 6 1HG2 VAL 6 -7.658 6.379 -15.106 777 2HG2 VAL 6 2HG2 VAL 6 -8.303 5.925 -16.683 778 3HG2 VAL 6 3HG2 VAL 6 -9.400 6.240 -15.339 779 H GLN 7 HN GLN 7 -11.015 8.425 -18.462 780 HA GLN 7 HA GLN 7 -10.875 11.129 -19.523 781 1HB GLN 7 2HB GLN 7 -13.123 9.279 -18.669 782 2HB GLN 7 1HB GLN 7 -13.375 10.811 -19.508 783 1HG GLN 7 2HG GLN 7 -11.739 8.479 -20.553 784 2HG GLN 7 1HG GLN 7 -13.354 8.928 -21.104 785 1HE2 GLN 7 1HE2 GLN 7 -10.060 9.381 -21.754 786 2HE2 GLN 7 2HE2 GLN 7 -10.183 10.782 -22.704 787 H GLY 8 HN GLY 8 -11.869 9.663 -16.405 788 1HA GLY 8 2HA GLY 8 -11.445 12.178 -15.002 789 2HA GLY 8 1HA GLY 8 -13.159 11.824 -15.218 790 H THR 9 HN THR 9 -12.703 11.859 -12.685 791 HA THR 9 HA THR 9 -12.005 9.062 -11.852 792 HB THR 9 HB THR 9 -11.552 10.438 -9.631 793 HG1 THR 9 HG1 THR 9 -11.973 12.459 -10.043 794 1HG2 THR 9 1HG2 THR 9 -9.277 10.425 -10.191 795 2HG2 THR 9 2HG2 THR 9 -9.591 10.856 -11.873 796 3HG2 THR 9 3HG2 THR 9 -9.951 9.228 -11.297 797 H ALA 10 HN ALA 10 -13.042 8.519 -9.667 798 HA ALA 10 HA ALA 10 -15.801 9.666 -9.383 799 1HB ALA 10 1HB ALA 10 -15.873 6.838 -9.041 800 2HB ALA 10 2HB ALA 10 -15.000 7.151 -10.544 801 3HB ALA 10 3HB ALA 10 -16.635 7.785 -10.319 802 H LYS 11 HN LYS 11 -16.627 9.435 -7.246 803 HA LYS 11 HA LYS 11 -14.563 8.677 -5.211 804 1HB LYS 11 2HB LYS 11 -15.421 10.966 -5.134 805 2HB LYS 11 1HB LYS 11 -17.073 10.361 -5.093 806 1HG LYS 11 2HG LYS 11 -16.707 9.302 -2.947 807 2HG LYS 11 1HG LYS 11 -14.991 9.703 -2.998 808 1HD LYS 11 2HD LYS 11 -15.342 11.867 -2.386 809 2HD LYS 11 1HD LYS 11 -16.835 11.995 -3.319 810 1HE LYS 11 2HE LYS 11 -17.987 10.593 -1.580 811 2HE LYS 11 1HE LYS 11 -16.500 10.656 -0.612 812 1HZ LYS 11 1HZ LYS 11 -16.760 12.841 -0.174 813 2HZ LYS 11 2HZ LYS 11 -18.401 12.519 -0.474 814 3HZ LYS 11 3HZ LYS 11 -17.426 13.189 -1.694 815 H LEU 12 HN LEU 12 -14.887 6.627 -4.431 816 HA LEU 12 HA LEU 12 -17.363 5.148 -4.517 817 1HB LEU 12 2HB LEU 12 -14.874 4.451 -4.070 818 2HB LEU 12 1HB LEU 12 -15.222 4.900 -2.413 819 HG LEU 12 HG LEU 12 -17.013 3.284 -2.277 820 1HD1 LEU 12 1HD1 LEU 12 -16.555 3.123 -5.248 821 2HD1 LEU 12 2HD1 LEU 12 -18.073 3.315 -4.371 822 3HD1 LEU 12 3HD1 LEU 12 -17.257 1.751 -4.389 823 1HD2 LEU 12 1HD2 LEU 12 -14.296 2.620 -2.783 824 2HD2 LEU 12 2HD2 LEU 12 -15.276 1.412 -3.618 825 3HD2 LEU 12 3HD2 LEU 12 -15.484 1.671 -1.886 826 H VAL 13 HN VAL 13 -19.129 5.459 -3.268 827 HA VAL 13 HA VAL 13 -18.814 7.041 -0.746 828 HB VAL 13 HB VAL 13 -19.728 8.500 -2.352 829 1HG1 VAL 13 1HG1 VAL 13 -20.823 6.068 -3.493 830 2HG1 VAL 13 2HG1 VAL 13 -20.499 7.623 -4.265 831 3HG1 VAL 13 3HG1 VAL 13 -22.025 7.356 -3.417 832 1HG2 VAL 13 1HG2 VAL 13 -21.017 8.589 -0.313 833 2HG2 VAL 13 2HG2 VAL 13 -21.979 7.197 -0.812 834 3HG2 VAL 13 3HG2 VAL 13 -22.141 8.732 -1.664 835 H SER 14 HN SER 14 -20.483 4.480 -2.467 836 HA SER 14 HA SER 14 -21.379 3.417 0.176 837 1HB SER 14 2HB SER 14 -23.010 4.905 -1.496 838 2HB SER 14 1HB SER 14 -23.434 3.245 -1.900 839 HG SER 14 HG SER 14 -24.400 3.104 -0.047 840 H ILE 15 HN ILE 15 -21.445 1.169 0.234 841 HA ILE 15 HA ILE 15 -20.926 -0.284 -2.344 842 HB ILE 15 HB ILE 15 -20.561 -1.327 0.473 843 1HG1 ILE 15 2HG1 ILE 15 -18.603 0.124 -1.325 844 2HG1 ILE 15 1HG1 ILE 15 -19.184 0.638 0.257 845 1HG2 ILE 15 1HG2 ILE 15 -20.502 -3.153 -0.969 846 2HG2 ILE 15 2HG2 ILE 15 -18.798 -2.679 -0.974 847 3HG2 ILE 15 3HG2 ILE 15 -19.853 -2.204 -2.307 848 1HD1 ILE 15 1HD1 ILE 15 -17.336 -1.652 -0.396 849 2HD1 ILE 15 2HD1 ILE 15 -18.217 -1.596 1.129 850 3HD1 ILE 15 3HD1 ILE 15 -17.071 -0.317 0.725 851 H ASP 16 HN ASP 16 -22.468 -1.705 -3.016 852 HA ASP 16 HA ASP 16 -24.745 -2.281 -1.158 853 1HB ASP 16 2HB ASP 16 -24.484 -1.988 -4.144 854 2HB ASP 16 1HB ASP 16 -25.870 -2.818 -3.435 855 H GLU 17 HN GLU 17 -24.485 -4.301 -0.288 856 HA GLU 17 HA GLU 17 -23.039 -6.368 -1.877 857 1HB GLU 17 2HB GLU 17 -23.824 -6.075 1.038 858 2HB GLU 17 1HB GLU 17 -22.982 -7.484 0.393 859 1HG GLU 17 2HG GLU 17 -21.143 -6.035 -0.385 860 2HG GLU 17 1HG GLU 17 -21.980 -4.623 0.263 861 H LYS 18 HN LYS 18 -24.460 -7.536 -3.140 862 HA LYS 18 HA LYS 18 -27.074 -8.384 -1.944 863 1HB LYS 18 2HB LYS 18 -26.172 -8.735 -4.807 864 2HB LYS 18 1HB LYS 18 -27.817 -8.643 -4.183 865 1HG LYS 18 2HG LYS 18 -26.713 -6.234 -3.376 866 2HG LYS 18 1HG LYS 18 -26.007 -6.483 -4.974 867 1HD LYS 18 2HD LYS 18 -28.063 -5.351 -5.373 868 2HD LYS 18 1HD LYS 18 -28.381 -7.041 -5.764 869 1HE LYS 18 2HE LYS 18 -29.572 -7.407 -3.743 870 2HE LYS 18 1HE LYS 18 -28.931 -5.926 -3.004 871 1HZ LYS 18 1HZ LYS 18 -30.646 -6.014 -5.431 872 2HZ LYS 18 2HZ LYS 18 -30.065 -4.615 -4.662 873 3HZ LYS 18 3HZ LYS 18 -31.193 -5.613 -3.876 874 HA PRO 19 HA PRO 19 -25.297 -12.324 -1.077 875 1HB PRO 19 2HB PRO 19 -27.695 -13.753 -1.496 876 2HB PRO 19 1HB PRO 19 -27.137 -13.072 0.042 877 1HG PRO 19 2HG PRO 19 -29.102 -12.000 -1.896 878 2HG PRO 19 1HG PRO 19 -29.044 -11.836 -0.134 879 1HD PRO 19 2HD PRO 19 -28.392 -9.809 -1.778 880 2HD PRO 19 1HD PRO 19 -27.575 -10.055 -0.216 881 H ASN 20 HN ASN 20 -26.909 -11.478 -4.030 882 HA ASN 20 HA ASN 20 -26.021 -13.987 -5.382 883 1HB ASN 20 2HB ASN 20 -27.411 -11.738 -6.794 884 2HB ASN 20 1HB ASN 20 -27.637 -13.474 -6.979 885 1HD2 ASN 20 1HD2 ASN 20 -27.942 -13.887 -4.019 886 2HD2 ASN 20 2HD2 ASN 20 -29.465 -13.263 -3.626 887 H PHE 21 HN PHE 21 -25.515 -10.521 -5.282 888 HA PHE 21 HA PHE 21 -23.015 -10.806 -6.893 889 1HB PHE 21 2HB PHE 21 -25.294 -8.902 -7.522 890 2HB PHE 21 1HB PHE 21 -23.798 -9.073 -8.437 891 HD1 PHE 21 HD1 PHE 21 -27.168 -10.065 -8.273 892 HD2 PHE 21 HD2 PHE 21 -23.253 -11.586 -9.176 893 HE1 PHE 21 HE1 PHE 21 -28.187 -11.894 -9.606 894 HE2 PHE 21 HE2 PHE 21 -24.269 -13.416 -10.510 895 HZ PHE 21 HZ PHE 21 -26.738 -13.571 -10.725 896 H ARG 22 HN ARG 22 -21.525 -9.056 -6.504 897 HA ARG 22 HA ARG 22 -22.222 -7.329 -4.178 898 1HB ARG 22 2HB ARG 22 -20.097 -8.597 -4.161 899 2HB ARG 22 1HB ARG 22 -19.607 -7.772 -5.641 900 1HG ARG 22 2HG ARG 22 -19.552 -5.644 -4.550 901 2HG ARG 22 1HG ARG 22 -20.355 -6.286 -3.117 902 1HD ARG 22 2HD ARG 22 -18.397 -7.710 -2.641 903 2HD ARG 22 1HD ARG 22 -17.581 -7.073 -4.084 904 HE ARG 22 HE ARG 22 -18.275 -4.774 -2.786 905 1HH1 ARG 22 1HH1 ARG 22 -16.767 -7.709 -1.750 906 2HH1 ARG 22 2HH1 ARG 22 -15.862 -6.944 -0.488 907 1HH2 ARG 22 1HH2 ARG 22 -17.096 -3.775 -1.147 908 2HH2 ARG 22 2HH2 ARG 22 -16.046 -4.722 -0.147 909 H THR 23 HN THR 23 -22.310 -5.118 -4.371 910 HA THR 23 HA THR 23 -22.157 -3.984 -7.147 911 HB THR 23 HB THR 23 -24.194 -3.640 -4.920 912 HG1 THR 23 HG1 THR 23 -24.068 -4.991 -7.355 913 1HG2 THR 23 1HG2 THR 23 -23.947 -1.489 -5.942 914 2HG2 THR 23 2HG2 THR 23 -25.383 -2.217 -6.662 915 3HG2 THR 23 3HG2 THR 23 -23.863 -2.193 -7.557 916 H HIS 24 HN HIS 24 -21.148 -1.950 -7.264 917 HA HIS 24 HA HIS 24 -20.503 -0.639 -4.647 918 1HB HIS 24 2HB HIS 24 -18.807 -1.765 -6.731 919 2HB HIS 24 1HB HIS 24 -18.408 -0.080 -6.383 920 HD1 HIS 24 HD1 HIS 24 -17.199 -3.131 -5.351 921 HD2 HIS 24 HD2 HIS 24 -18.841 0.025 -3.179 922 HE1 HIS 24 HE1 HIS 24 -16.447 -3.437 -2.947 923 H VAL 25 HN VAL 25 -20.877 1.547 -4.598 924 HA VAL 25 HA VAL 25 -21.692 2.826 -7.178 925 HB VAL 25 HB VAL 25 -22.528 3.585 -4.389 926 1HG1 VAL 25 1HG1 VAL 25 -24.590 4.018 -6.220 927 2HG1 VAL 25 2HG1 VAL 25 -23.128 4.474 -7.094 928 3HG1 VAL 25 3HG1 VAL 25 -23.511 5.245 -5.554 929 1HG2 VAL 25 1HG2 VAL 25 -24.668 2.240 -5.155 930 2HG2 VAL 25 2HG2 VAL 25 -23.310 1.386 -4.422 931 3HG2 VAL 25 3HG2 VAL 25 -23.512 1.382 -6.175 932 H VAL 26 HN VAL 26 -20.623 4.605 -7.791 933 HA VAL 26 HA VAL 26 -18.731 5.881 -5.850 934 HB VAL 26 HB VAL 26 -17.394 6.357 -7.824 935 1HG1 VAL 26 1HG1 VAL 26 -18.138 3.669 -8.695 936 2HG1 VAL 26 2HG1 VAL 26 -17.991 3.786 -6.942 937 3HG1 VAL 26 3HG1 VAL 26 -16.631 4.232 -7.972 938 1HG2 VAL 26 1HG2 VAL 26 -19.891 5.474 -9.278 939 2HG2 VAL 26 2HG2 VAL 26 -18.318 5.481 -10.076 940 3HG2 VAL 26 3HG2 VAL 26 -18.996 6.984 -9.453 941 H GLU 27 HN GLU 27 -18.334 8.281 -6.506 942 HA GLU 27 HA GLU 27 -20.961 9.591 -7.058 943 1HB GLU 27 2HB GLU 27 -19.275 9.800 -4.965 944 2HB GLU 27 1HB GLU 27 -18.549 10.989 -6.040 945 1HG GLU 27 2HG GLU 27 -20.469 12.338 -6.063 946 2HG GLU 27 1HG GLU 27 -21.510 11.022 -5.522 947 H LEU 28 HN LEU 28 -21.120 10.266 -9.118 948 HA LEU 28 HA LEU 28 -18.791 10.422 -10.849 949 1HB LEU 28 2HB LEU 28 -21.333 9.657 -11.123 950 2HB LEU 28 1HB LEU 28 -21.541 11.339 -11.598 951 HG LEU 28 HG LEU 28 -19.950 11.104 -13.395 952 1HD1 LEU 28 1HD1 LEU 28 -19.054 8.631 -13.709 953 2HD1 LEU 28 2HD1 LEU 28 -19.294 8.551 -11.964 954 3HD1 LEU 28 3HD1 LEU 28 -18.205 9.757 -12.650 955 1HD2 LEU 28 1HD2 LEU 28 -21.641 10.197 -14.588 956 2HD2 LEU 28 2HD2 LEU 28 -22.283 9.432 -13.138 957 3HD2 LEU 28 3HD2 LEU 28 -21.075 8.598 -14.114 958 HA PRO 29 HA PRO 29 -18.160 14.760 -9.954 959 1HB PRO 29 2HB PRO 29 -16.171 15.108 -11.818 960 2HB PRO 29 1HB PRO 29 -15.906 14.455 -10.193 961 1HG PRO 29 2HG PRO 29 -16.134 13.030 -12.787 962 2HG PRO 29 1HG PRO 29 -15.112 12.674 -11.387 963 1HD PRO 29 2HD PRO 29 -17.377 11.295 -11.964 964 2HD PRO 29 1HD PRO 29 -16.766 11.513 -10.311 965 H ASP 30 HN ASP 30 -17.947 16.774 -11.457 966 HA ASP 30 HA ASP 30 -20.331 17.027 -12.933 967 1HB ASP 30 2HB ASP 30 -19.046 18.856 -11.904 968 2HB ASP 30 1HB ASP 30 -17.749 18.614 -13.074 969 H HIS 31 HN HIS 31 -17.015 16.407 -14.136 970 HA HIS 31 HA HIS 31 -17.978 16.528 -16.916 971 1HB HIS 31 2HB HIS 31 -15.605 16.331 -17.446 972 2HB HIS 31 1HB HIS 31 -15.818 17.501 -16.151 973 HD1 HIS 31 HD1 HIS 31 -16.324 14.682 -14.257 974 HD2 HIS 31 HD2 HIS 31 -12.926 16.091 -16.213 975 HE1 HIS 31 HE1 HIS 31 -14.337 13.601 -13.116 976 H MET 32 HN MET 32 -18.089 14.163 -14.615 977 HA MET 32 HA MET 32 -17.895 12.002 -16.690 978 1HB MET 32 2HB MET 32 -17.571 11.993 -13.679 979 2HB MET 32 1HB MET 32 -17.709 10.514 -14.630 980 1HG MET 32 2HG MET 32 -15.596 12.658 -15.001 981 2HG MET 32 1HG MET 32 -15.342 11.087 -14.239 982 1HE MET 32 1HE MET 32 -16.884 8.850 -16.657 983 2HE MET 32 2HE MET 32 -16.139 9.114 -15.083 984 3HE MET 32 3HE MET 32 -15.156 8.541 -16.428 985 H LEU 33 HN LEU 33 -19.969 13.873 -14.739 986 HA LEU 33 HA LEU 33 -22.112 11.971 -14.297 987 1HB LEU 33 2HB LEU 33 -21.725 14.952 -14.272 988 2HB LEU 33 1HB LEU 33 -23.355 14.290 -14.151 989 HG LEU 33 HG LEU 33 -21.139 13.280 -12.365 990 1HD1 LEU 33 1HD1 LEU 33 -21.035 15.420 -11.561 991 2HD1 LEU 33 2HD1 LEU 33 -22.537 14.965 -10.756 992 3HD1 LEU 33 3HD1 LEU 33 -22.587 15.869 -12.269 993 1HD2 LEU 33 1HD2 LEU 33 -23.413 12.126 -12.689 994 2HD2 LEU 33 2HD2 LEU 33 -24.110 13.519 -11.862 995 3HD2 LEU 33 3HD2 LEU 33 -22.944 12.492 -11.029 996 H ASP 34 HN ASP 34 -21.194 14.145 -16.904 997 HA ASP 34 HA ASP 34 -23.718 13.941 -18.332 998 1HB ASP 34 2HB ASP 34 -20.938 14.976 -18.917 999 2HB ASP 34 1HB ASP 34 -22.265 15.128 -20.072 1000 H GLY 35 HN GLY 35 -24.222 12.578 -20.041 1001 1HA GLY 35 2HA GLY 35 -23.744 11.230 -21.937 1002 2HA GLY 35 1HA GLY 35 -22.064 11.134 -21.414 1003 H LEU 36 HN LEU 36 -22.577 10.177 -18.740 1004 HA LEU 36 HA LEU 36 -22.738 7.363 -19.398 1005 1HB LEU 36 2HB LEU 36 -21.211 8.325 -17.724 1006 2HB LEU 36 1HB LEU 36 -22.592 8.837 -16.750 1007 HG LEU 36 HG LEU 36 -23.307 6.465 -16.555 1008 1HD1 LEU 36 1HD1 LEU 36 -22.342 5.594 -18.618 1009 2HD1 LEU 36 2HD1 LEU 36 -21.669 4.710 -17.249 1010 3HD1 LEU 36 3HD1 LEU 36 -20.714 5.960 -18.045 1011 1HD2 LEU 36 1HD2 LEU 36 -20.639 7.429 -15.603 1012 2HD2 LEU 36 2HD2 LEU 36 -21.062 5.742 -15.312 1013 3HD2 LEU 36 3HD2 LEU 36 -22.083 7.030 -14.672 1014 H GLU 37 HN GLU 37 -24.293 5.849 -18.752 1015 HA GLU 37 HA GLU 37 -26.661 6.731 -17.215 1016 1HB GLU 37 2HB GLU 37 -28.207 6.024 -18.969 1017 2HB GLU 37 1HB GLU 37 -27.086 7.202 -19.653 1018 1HG GLU 37 2HG GLU 37 -25.704 5.370 -20.557 1019 2HG GLU 37 1HG GLU 37 -26.822 4.187 -19.877 1020 H THR 38 HN THR 38 -28.073 4.697 -16.773 1021 HA THR 38 HA THR 38 -26.441 2.617 -15.697 1022 HB THR 38 HB THR 38 -28.977 1.567 -16.003 1023 HG1 THR 38 HG1 THR 38 -30.251 3.126 -16.523 1024 1HG2 THR 38 1HG2 THR 38 -29.297 2.926 -13.732 1025 2HG2 THR 38 2HG2 THR 38 -27.568 3.199 -13.952 1026 3HG2 THR 38 3HG2 THR 38 -28.194 1.553 -13.843 1027 H GLY 39 HN GLY 39 -26.162 0.417 -16.441 1028 1HA GLY 39 2HA GLY 39 -26.023 -1.316 -18.046 1029 2HA GLY 39 1HA GLY 39 -27.064 -0.378 -19.111 1030 H ALA 40 HN ALA 40 -24.812 1.781 -18.158 1031 HA ALA 40 HA ALA 40 -23.286 1.629 -20.651 1032 1HB ALA 40 1HB ALA 40 -23.292 3.327 -18.146 1033 2HB ALA 40 2HB ALA 40 -23.832 3.781 -19.764 1034 3HB ALA 40 3HB ALA 40 -22.111 3.579 -19.433 1035 H SER 41 HN SER 41 -20.891 1.364 -20.647 1036 HA SER 41 HA SER 41 -20.012 -0.505 -18.496 1037 1HB SER 41 2HB SER 41 -18.076 -0.565 -20.391 1038 2HB SER 41 1HB SER 41 -19.530 -1.551 -20.474 1039 HG SER 41 HG SER 41 -19.762 -0.528 -22.307 1040 H VAL 42 HN VAL 42 -19.055 0.613 -16.841 1041 HA VAL 42 HA VAL 42 -17.233 2.892 -17.487 1042 HB VAL 42 HB VAL 42 -18.865 1.976 -15.159 1043 1HG1 VAL 42 1HG1 VAL 42 -17.021 1.983 -13.815 1044 2HG1 VAL 42 2HG1 VAL 42 -17.323 3.721 -13.845 1045 3HG1 VAL 42 3HG1 VAL 42 -16.097 3.020 -14.903 1046 1HG2 VAL 42 1HG2 VAL 42 -18.749 4.586 -14.908 1047 2HG2 VAL 42 2HG2 VAL 42 -19.748 3.870 -16.177 1048 3HG2 VAL 42 3HG2 VAL 42 -18.152 4.517 -16.562 1049 H ALA 43 HN ALA 43 -15.065 2.525 -17.433 1050 HA ALA 43 HA ALA 43 -14.072 -0.042 -16.293 1051 1HB ALA 43 1HB ALA 43 -13.080 0.237 -18.368 1052 2HB ALA 43 2HB ALA 43 -11.908 1.102 -17.375 1053 3HB ALA 43 3HB ALA 43 -13.137 1.997 -18.269 1054 H HIS 44 HN HIS 44 -13.418 0.078 -14.193 1055 HA HIS 44 HA HIS 44 -12.771 2.698 -12.970 1056 1HB HIS 44 2HB HIS 44 -13.316 -0.122 -12.090 1057 2HB HIS 44 1HB HIS 44 -12.447 0.947 -10.991 1058 HD1 HIS 44 HD1 HIS 44 -15.232 2.117 -13.320 1059 HD2 HIS 44 HD2 HIS 44 -14.576 1.453 -9.243 1060 HE1 HIS 44 HE1 HIS 44 -17.243 3.054 -12.098 1061 HE2 HIS 44 HE2 HIS 44 -16.853 2.654 -9.629 1062 H ASN 45 HN ASN 45 -10.778 3.355 -13.521 1063 HA ASN 45 HA ASN 45 -8.484 3.366 -13.979 1064 1HB ASN 45 2HB ASN 45 -8.748 2.120 -11.602 1065 2HB ASN 45 1HB ASN 45 -8.071 0.791 -12.549 1066 1HD2 ASN 45 1HD2 ASN 45 -7.338 3.840 -11.046 1067 2HD2 ASN 45 2HD2 ASN 45 -5.729 3.950 -11.553 1068 H GLY 46 HN GLY 46 -10.618 1.432 -15.353 1069 1HA GLY 46 2HA GLY 46 -10.013 0.823 -17.663 1070 2HA GLY 46 1HA GLY 46 -8.516 0.144 -17.028 1071 H CYS 47 HN CYS 47 -10.866 -0.732 -14.835 1072 HA CYS 47 HA CYS 47 -11.161 -3.408 -16.114 1073 1HB CYS 47 2HB CYS 47 -10.388 -3.091 -13.730 1074 2HB CYS 47 1HB CYS 47 -11.979 -2.424 -13.359 1075 HG CYS 47 HG CYS 47 -11.398 -5.324 -13.423 1076 H CYS 48 HN CYS 48 -12.858 -3.319 -17.569 1077 HA CYS 48 HA CYS 48 -14.995 -1.430 -17.335 1078 1HB CYS 48 2HB CYS 48 -15.850 -2.671 -19.326 1079 2HB CYS 48 1HB CYS 48 -14.131 -2.291 -19.454 1080 HG CYS 48 HG CYS 48 -13.885 -4.879 -18.395 1081 H LEU 49 HN LEU 49 -16.892 -1.575 -16.294 1082 HA LEU 49 HA LEU 49 -18.199 -4.203 -15.954 1083 1HB LEU 49 2HB LEU 49 -18.678 -3.451 -13.506 1084 2HB LEU 49 1HB LEU 49 -17.080 -4.101 -13.870 1085 HG LEU 49 HG LEU 49 -17.287 -1.207 -14.327 1086 1HD1 LEU 49 1HD1 LEU 49 -18.514 -2.278 -11.986 1087 2HD1 LEU 49 2HD1 LEU 49 -18.223 -0.583 -12.382 1088 3HD1 LEU 49 3HD1 LEU 49 -17.006 -1.504 -11.497 1089 1HD2 LEU 49 1HD2 LEU 49 -15.097 -1.247 -13.526 1090 2HD2 LEU 49 2HD2 LEU 49 -15.253 -2.906 -14.098 1091 3HD2 LEU 49 3HD2 LEU 49 -15.435 -2.547 -12.382 1092 H THR 50 HN THR 50 -20.544 -3.884 -15.457 1093 HA THR 50 HA THR 50 -21.449 -1.512 -16.956 1094 HB THR 50 HB THR 50 -23.011 -3.913 -15.967 1095 HG1 THR 50 HG1 THR 50 -21.197 -3.559 -18.058 1096 1HG2 THR 50 1HG2 THR 50 -24.455 -2.163 -16.783 1097 2HG2 THR 50 2HG2 THR 50 -24.348 -3.381 -18.054 1098 3HG2 THR 50 3HG2 THR 50 -23.420 -1.888 -18.183 1099 H VAL 51 HN VAL 51 -23.175 -0.149 -16.265 1100 HA VAL 51 HA VAL 51 -23.224 0.453 -13.408 1101 HB VAL 51 HB VAL 51 -24.944 1.499 -15.682 1102 1HG1 VAL 51 1HG1 VAL 51 -24.570 3.602 -14.107 1103 2HG1 VAL 51 2HG1 VAL 51 -24.342 2.349 -12.886 1104 3HG1 VAL 51 3HG1 VAL 51 -25.856 2.438 -13.788 1105 1HG2 VAL 51 1HG2 VAL 51 -22.850 1.926 -16.535 1106 2HG2 VAL 51 2HG2 VAL 51 -22.092 1.983 -14.943 1107 3HG2 VAL 51 3HG2 VAL 51 -23.054 3.348 -15.512 1108 H THR 52 HN THR 52 -24.421 -0.880 -12.085 1109 HA THR 52 HA THR 52 -26.794 -2.336 -12.935 1110 HB THR 52 HB THR 52 -26.915 -2.883 -10.572 1111 HG1 THR 52 HG1 THR 52 -24.866 -1.106 -9.940 1112 1HG2 THR 52 1HG2 THR 52 -24.761 -3.827 -10.258 1113 2HG2 THR 52 2HG2 THR 52 -23.979 -2.535 -11.169 1114 3HG2 THR 52 3HG2 THR 52 -24.971 -3.728 -12.006 1115 H GLU 53 HN GLU 53 -26.149 0.715 -11.217 1116 HA GLU 53 HA GLU 53 -28.791 1.738 -12.032 1117 1HB GLU 53 2HB GLU 53 -29.280 0.334 -10.066 1118 2HB GLU 53 1HB GLU 53 -28.076 1.218 -9.128 1119 1HG GLU 53 2HG GLU 53 -29.354 3.305 -9.445 1120 2HG GLU 53 1HG GLU 53 -30.564 2.422 -10.379 1121 H ILE 54 HN ILE 54 -28.997 4.018 -11.601 1122 HA ILE 54 HA ILE 54 -26.450 5.391 -10.772 1123 HB ILE 54 HB ILE 54 -28.765 6.225 -12.560 1124 1HG1 ILE 54 2HG1 ILE 54 -25.962 6.286 -13.489 1125 2HG1 ILE 54 1HG1 ILE 54 -26.595 4.675 -13.156 1126 1HG2 ILE 54 1HG2 ILE 54 -27.847 8.090 -11.146 1127 2HG2 ILE 54 2HG2 ILE 54 -27.577 8.325 -12.873 1128 3HG2 ILE 54 3HG2 ILE 54 -26.257 7.774 -11.840 1129 1HD1 ILE 54 1HD1 ILE 54 -28.423 6.457 -14.651 1130 2HD1 ILE 54 2HD1 ILE 54 -28.061 4.749 -14.905 1131 3HD1 ILE 54 3HD1 ILE 54 -26.963 5.985 -15.519 1132 H ASN 55 HN ASN 55 -26.564 6.519 -8.919 1133 HA ASN 55 HA ASN 55 -29.259 6.946 -7.685 1134 1HB ASN 55 2HB ASN 55 -26.437 6.617 -6.680 1135 2HB ASN 55 1HB ASN 55 -27.667 7.348 -5.647 1136 1HD2 ASN 55 1HD2 ASN 55 -26.452 4.344 -6.872 1137 2HD2 ASN 55 2HD2 ASN 55 -27.663 3.345 -6.225 1138 H GLY 56 HN GLY 56 -29.155 8.768 -9.492 1139 1HA GLY 56 2HA GLY 56 -29.177 11.124 -9.785 1140 2HA GLY 56 1HA GLY 56 -28.481 11.302 -8.170 1141 H ASN 57 HN ASN 57 -26.380 11.956 -8.136 1142 HA ASN 57 HA ASN 57 -24.799 11.912 -10.603 1143 1HB ASN 57 2HB ASN 57 -23.709 13.602 -9.550 1144 2HB ASN 57 1HB ASN 57 -24.971 13.484 -8.343 1145 1HD2 ASN 57 1HD2 ASN 57 -21.890 11.917 -9.170 1146 2HD2 ASN 57 2HD2 ASN 57 -21.355 11.709 -7.573 1147 H HIS 58 HN HIS 58 -25.272 9.896 -7.837 1148 HA HIS 58 HA HIS 58 -22.680 8.569 -7.866 1149 1HB HIS 58 2HB HIS 58 -25.389 8.150 -6.642 1150 2HB HIS 58 1HB HIS 58 -24.185 6.870 -6.537 1151 HD1 HIS 58 HD1 HIS 58 -25.357 9.323 -4.432 1152 HD2 HIS 58 HD2 HIS 58 -21.492 8.461 -5.743 1153 HE1 HIS 58 HE1 HIS 58 -23.772 10.327 -2.732 1154 H VAL 59 HN VAL 59 -22.377 6.302 -8.523 1155 HA VAL 59 HA VAL 59 -24.514 5.198 -10.262 1156 HB VAL 59 HB VAL 59 -21.650 5.774 -11.033 1157 1HG1 VAL 59 1HG1 VAL 59 -23.713 4.151 -12.534 1158 2HG1 VAL 59 2HG1 VAL 59 -22.318 3.466 -11.700 1159 3HG1 VAL 59 3HG1 VAL 59 -22.084 4.531 -13.088 1160 1HG2 VAL 59 1HG2 VAL 59 -24.322 6.875 -11.586 1161 2HG2 VAL 59 2HG2 VAL 59 -23.381 6.551 -13.046 1162 3HG2 VAL 59 3HG2 VAL 59 -22.735 7.620 -11.801 1163 H SER 60 HN SER 60 -24.879 3.165 -9.576 1164 HA SER 60 HA SER 60 -22.855 1.700 -7.975 1165 1HB SER 60 2HB SER 60 -25.697 1.014 -8.772 1166 2HB SER 60 1HB SER 60 -24.765 0.274 -7.476 1167 HG SER 60 HG SER 60 -26.181 1.902 -6.708 1168 H PHE 61 HN PHE 61 -21.564 0.123 -8.940 1169 HA PHE 61 HA PHE 61 -22.443 -0.880 -11.637 1170 1HB PHE 61 2HB PHE 61 -19.689 -0.859 -10.357 1171 2HB PHE 61 1HB PHE 61 -20.064 -1.234 -12.037 1172 HD1 PHE 61 HD1 PHE 61 -20.709 0.525 -13.618 1173 HD2 PHE 61 HD2 PHE 61 -19.755 1.429 -9.526 1174 HE1 PHE 61 HE1 PHE 61 -20.504 2.931 -14.196 1175 HE2 PHE 61 HE2 PHE 61 -19.552 3.831 -10.103 1176 HZ PHE 61 HZ PHE 61 -19.925 4.584 -12.438 1177 H ASP 62 HN ASP 62 -21.944 -3.206 -12.068 1178 HA ASP 62 HA ASP 62 -22.429 -4.865 -9.654 1179 1HB ASP 62 2HB ASP 62 -22.890 -6.606 -11.361 1180 2HB ASP 62 1HB ASP 62 -23.803 -5.139 -11.694 1181 H LEU 63 HN LEU 63 -21.132 -6.555 -9.024 1182 HA LEU 63 HA LEU 63 -18.529 -7.011 -10.363 1183 1HB LEU 63 2HB LEU 63 -19.028 -5.148 -8.234 1184 2HB LEU 63 1HB LEU 63 -18.031 -6.452 -7.614 1185 HG LEU 63 HG LEU 63 -17.104 -5.685 -10.236 1186 1HD1 LEU 63 1HD1 LEU 63 -16.627 -3.412 -8.413 1187 2HD1 LEU 63 2HD1 LEU 63 -18.288 -3.541 -9.002 1188 3HD1 LEU 63 3HD1 LEU 63 -16.948 -3.415 -10.148 1189 1HD2 LEU 63 1HD2 LEU 63 -15.664 -5.099 -7.655 1190 2HD2 LEU 63 2HD2 LEU 63 -15.003 -5.704 -9.174 1191 3HD2 LEU 63 3HD2 LEU 63 -15.942 -6.773 -8.131 1192 H MET 64 HN MET 64 -18.402 -9.254 -10.287 1193 HA MET 64 HA MET 64 -19.930 -10.821 -8.364 1194 1HB MET 64 2HB MET 64 -17.728 -11.464 -10.350 1195 2HB MET 64 1HB MET 64 -18.607 -12.689 -9.445 1196 1HG MET 64 2HG MET 64 -20.065 -10.623 -11.082 1197 2HG MET 64 1HG MET 64 -19.451 -12.101 -11.822 1198 1HE MET 64 1HE MET 64 -19.511 -14.188 -10.687 1199 2HE MET 64 2HE MET 64 -21.015 -14.603 -11.507 1200 3HE MET 64 3HE MET 64 -20.861 -14.876 -9.773 1201 H LYS 65 HN LYS 65 -19.143 -11.827 -6.477 1202 HA LYS 65 HA LYS 65 -17.051 -10.588 -5.027 1203 1HB LYS 65 2HB LYS 65 -18.931 -11.876 -4.074 1204 2HB LYS 65 1HB LYS 65 -18.274 -13.358 -4.772 1205 1HG LYS 65 2HG LYS 65 -16.221 -13.082 -3.429 1206 2HG LYS 65 1HG LYS 65 -16.880 -11.604 -2.726 1207 1HD LYS 65 2HD LYS 65 -18.830 -12.948 -1.885 1208 2HD LYS 65 1HD LYS 65 -18.008 -14.402 -2.452 1209 1HE LYS 65 2HE LYS 65 -17.309 -14.310 -0.211 1210 2HE LYS 65 1HE LYS 65 -15.990 -13.443 -1.023 1211 1HZ LYS 65 1HZ LYS 65 -16.879 -11.391 -0.471 1212 2HZ LYS 65 2HZ LYS 65 -17.170 -12.295 0.937 1213 3HZ LYS 65 3HZ LYS 65 -18.427 -12.016 -0.170 1214 H GLU 66 HN GLU 66 -17.053 -13.686 -6.830 1215 HA GLU 66 HA GLU 66 -14.283 -14.285 -6.247 1216 1HB GLU 66 2HB GLU 66 -15.994 -15.956 -6.879 1217 2HB GLU 66 1HB GLU 66 -16.150 -15.198 -8.465 1218 1HG GLU 66 2HG GLU 66 -13.784 -15.694 -8.945 1219 2HG GLU 66 1HG GLU 66 -13.614 -16.442 -7.357 1220 H THR 67 HN THR 67 -15.938 -12.694 -8.975 1221 HA THR 67 HA THR 67 -13.604 -12.197 -10.595 1222 HB THR 67 HB THR 67 -16.137 -10.581 -10.162 1223 HG1 THR 67 HG1 THR 67 -15.706 -12.232 -12.362 1224 1HG2 THR 67 1HG2 THR 67 -14.027 -10.558 -12.325 1225 2HG2 THR 67 2HG2 THR 67 -14.539 -9.215 -11.303 1226 3HG2 THR 67 3HG2 THR 67 -15.626 -9.848 -12.539 1227 H LEU 68 HN LEU 68 -15.112 -10.496 -7.871 1228 HA LEU 68 HA LEU 68 -13.543 -8.134 -7.873 1229 1HB LEU 68 2HB LEU 68 -15.620 -8.580 -6.603 1230 2HB LEU 68 1HB LEU 68 -14.770 -9.777 -5.633 1231 HG LEU 68 HG LEU 68 -13.123 -7.785 -5.140 1232 1HD1 LEU 68 1HD1 LEU 68 -15.578 -6.502 -6.287 1233 2HD1 LEU 68 2HD1 LEU 68 -13.889 -6.018 -6.445 1234 3HD1 LEU 68 3HD1 LEU 68 -14.760 -5.706 -4.943 1235 1HD2 LEU 68 1HD2 LEU 68 -14.058 -8.054 -3.107 1236 2HD2 LEU 68 2HD2 LEU 68 -15.381 -8.930 -3.878 1237 3HD2 LEU 68 3HD2 LEU 68 -15.506 -7.189 -3.624 1238 H ARG 69 HN ARG 69 -13.053 -11.268 -6.250 1239 HA ARG 69 HA ARG 69 -10.469 -10.610 -5.098 1240 1HB ARG 69 2HB ARG 69 -12.074 -12.355 -4.314 1241 2HB ARG 69 1HB ARG 69 -11.756 -13.268 -5.789 1242 1HG ARG 69 2HG ARG 69 -9.374 -13.427 -5.191 1243 2HG ARG 69 1HG ARG 69 -9.678 -12.502 -3.719 1244 1HD ARG 69 2HD ARG 69 -11.265 -14.260 -2.961 1245 2HD ARG 69 1HD ARG 69 -10.872 -15.209 -4.408 1246 HE ARG 69 HE ARG 69 -8.388 -14.670 -3.393 1247 1HH1 ARG 69 1HH1 ARG 69 -11.323 -15.867 -2.011 1248 2HH1 ARG 69 2HH1 ARG 69 -10.517 -16.807 -0.801 1249 1HH2 ARG 69 1HH2 ARG 69 -7.334 -15.893 -1.819 1250 2HH2 ARG 69 2HH2 ARG 69 -8.264 -16.823 -0.692 1251 H ILE 70 HN ILE 70 -11.542 -12.245 -8.085 1252 HA ILE 70 HA ILE 70 -8.968 -13.150 -8.921 1253 HB ILE 70 HB ILE 70 -11.607 -13.414 -9.616 1254 1HG1 ILE 70 2HG1 ILE 70 -9.296 -14.178 -11.405 1255 2HG1 ILE 70 1HG1 ILE 70 -9.679 -15.004 -9.895 1256 1HG2 ILE 70 1HG2 ILE 70 -10.257 -11.993 -11.923 1257 2HG2 ILE 70 2HG2 ILE 70 -11.593 -11.361 -10.965 1258 3HG2 ILE 70 3HG2 ILE 70 -11.835 -12.777 -11.981 1259 1HD1 ILE 70 1HD1 ILE 70 -11.573 -15.985 -10.748 1260 2HD1 ILE 70 2HD1 ILE 70 -10.683 -15.804 -12.260 1261 3HD1 ILE 70 3HD1 ILE 70 -11.920 -14.629 -11.819 1262 H THR 71 HN THR 71 -10.835 -10.239 -9.651 1263 HA THR 71 HA THR 71 -8.651 -9.045 -11.231 1264 HB THR 71 HB THR 71 -10.266 -7.229 -11.485 1265 HG1 THR 71 HG1 THR 71 -12.342 -7.683 -10.277 1266 1HG2 THR 71 1HG2 THR 71 -10.629 -9.616 -12.542 1267 2HG2 THR 71 2HG2 THR 71 -11.879 -8.378 -12.686 1268 3HG2 THR 71 3HG2 THR 71 -12.029 -9.646 -11.471 1269 H ASN 72 HN ASN 72 -8.470 -6.526 -10.425 1270 HA ASN 72 HA ASN 72 -7.722 -6.620 -7.538 1271 1HB ASN 72 2HB ASN 72 -5.859 -6.016 -8.860 1272 2HB ASN 72 1HB ASN 72 -6.842 -5.073 -9.969 1273 1HD2 ASN 72 1HD2 ASN 72 -5.618 -3.100 -9.687 1274 2HD2 ASN 72 2HD2 ASN 72 -5.627 -2.241 -8.218 1275 H LEU 73 HN LEU 73 -10.458 -6.293 -8.916 1276 HA LEU 73 HA LEU 73 -11.294 -3.539 -8.492 1277 1HB LEU 73 2HB LEU 73 -12.721 -6.214 -8.667 1278 2HB LEU 73 1HB LEU 73 -13.559 -4.663 -8.616 1279 HG LEU 73 HG LEU 73 -11.478 -5.399 -10.700 1280 1HD1 LEU 73 1HD1 LEU 73 -13.974 -6.502 -10.516 1281 2HD1 LEU 73 2HD1 LEU 73 -13.112 -6.246 -12.033 1282 3HD1 LEU 73 3HD1 LEU 73 -14.304 -5.066 -11.487 1283 1HD2 LEU 73 1HD2 LEU 73 -11.511 -3.109 -10.829 1284 2HD2 LEU 73 2HD2 LEU 73 -13.082 -2.986 -10.038 1285 3HD2 LEU 73 3HD2 LEU 73 -12.987 -3.404 -11.748 1286 H GLY 74 HN GLY 74 -11.360 -6.523 -6.531 1287 1HA GLY 74 2HA GLY 74 -12.896 -5.708 -4.377 1288 2HA GLY 74 1HA GLY 74 -11.521 -6.790 -4.214 1289 H ASP 75 HN ASP 75 -9.759 -4.533 -5.297 1290 HA ASP 75 HA ASP 75 -8.793 -3.645 -2.774 1291 1HB ASP 75 2HB ASP 75 -7.281 -2.322 -4.124 1292 2HB ASP 75 1HB ASP 75 -7.595 -3.823 -4.996 1293 H LEU 76 HN LEU 76 -11.338 -2.400 -4.773 1294 HA LEU 76 HA LEU 76 -11.269 0.358 -4.119 1295 1HB LEU 76 2HB LEU 76 -13.588 -1.502 -4.661 1296 2HB LEU 76 1HB LEU 76 -13.673 0.254 -4.743 1297 HG LEU 76 HG LEU 76 -11.781 -1.448 -6.388 1298 1HD1 LEU 76 1HD1 LEU 76 -14.553 -0.455 -6.840 1299 2HD1 LEU 76 2HD1 LEU 76 -13.757 -1.892 -7.479 1300 3HD1 LEU 76 3HD1 LEU 76 -13.428 -0.312 -8.191 1301 1HD2 LEU 76 1HD2 LEU 76 -12.348 1.236 -7.331 1302 2HD2 LEU 76 2HD2 LEU 76 -10.791 0.501 -6.951 1303 3HD2 LEU 76 3HD2 LEU 76 -11.734 1.279 -5.677 1304 H LYS 77 HN LYS 77 -12.021 1.520 -2.432 1305 HA LYS 77 HA LYS 77 -13.657 0.201 -0.323 1306 1HB LYS 77 2HB LYS 77 -11.051 1.707 0.098 1307 2HB LYS 77 1HB LYS 77 -12.131 1.208 1.401 1308 1HG LYS 77 2HG LYS 77 -11.874 -1.148 0.715 1309 2HG LYS 77 1HG LYS 77 -10.791 -0.652 -0.586 1310 1HD LYS 77 2HD LYS 77 -9.231 0.302 1.074 1311 2HD LYS 77 1HD LYS 77 -10.311 -0.201 2.374 1312 1HE LYS 77 2HE LYS 77 -9.795 -2.455 0.643 1313 2HE LYS 77 1HE LYS 77 -8.261 -1.749 1.189 1314 1HZ LYS 77 1HZ LYS 77 -10.525 -2.130 3.049 1315 2HZ LYS 77 2HZ LYS 77 -8.880 -1.916 3.413 1316 3HZ LYS 77 3HZ LYS 77 -9.423 -3.385 2.753 1317 H VAL 78 HN VAL 78 -15.195 1.631 0.496 1318 HA VAL 78 HA VAL 78 -15.821 3.976 -0.960 1319 HB VAL 78 HB VAL 78 -16.574 3.206 1.877 1320 1HG1 VAL 78 1HG1 VAL 78 -17.312 5.404 0.147 1321 2HG1 VAL 78 2HG1 VAL 78 -17.816 5.086 1.807 1322 3HG1 VAL 78 3HG1 VAL 78 -18.721 4.382 0.463 1323 1HG2 VAL 78 1HG2 VAL 78 -17.664 1.467 0.966 1324 2HG2 VAL 78 2HG2 VAL 78 -16.998 1.884 -0.613 1325 3HG2 VAL 78 3HG2 VAL 78 -18.542 2.566 -0.098 1326 H GLY 79 HN GLY 79 -15.625 6.196 -0.405 1327 1HA GLY 79 2HA GLY 79 -14.724 8.053 0.820 1328 2HA GLY 79 1HA GLY 79 -13.814 6.918 1.823 1329 H ASP 80 HN ASP 80 -13.223 5.546 -0.938 1330 HA ASP 80 HA ASP 80 -10.810 7.195 -1.555 1331 1HB ASP 80 2HB ASP 80 -10.862 4.652 -1.011 1332 2HB ASP 80 1HB ASP 80 -11.518 4.465 -2.633 1333 H TRP 81 HN TRP 81 -10.313 7.344 -3.962 1334 HA TRP 81 HA TRP 81 -12.854 7.631 -5.541 1335 1HB TRP 81 2HB TRP 81 -10.251 9.177 -5.522 1336 2HB TRP 81 1HB TRP 81 -11.427 9.332 -6.823 1337 HD1 TRP 81 HD1 TRP 81 -11.849 9.195 -2.969 1338 HE1 TRP 81 HE1 TRP 81 -13.352 11.158 -2.266 1339 HE3 TRP 81 HE3 TRP 81 -12.591 11.409 -7.513 1340 HZ2 TRP 81 HZ2 TRP 81 -14.685 13.388 -3.461 1341 HZ3 TRP 81 HZ3 TRP 81 -13.981 13.455 -7.702 1342 HH2 TRP 81 HH2 TRP 81 -15.028 14.446 -5.683 1343 H VAL 82 HN VAL 82 -12.682 7.073 -7.808 1344 HA VAL 82 HA VAL 82 -10.491 5.112 -8.404 1345 HB VAL 82 HB VAL 82 -12.483 3.871 -8.167 1346 1HG1 VAL 82 1HG1 VAL 82 -13.814 6.252 -9.449 1347 2HG1 VAL 82 2HG1 VAL 82 -14.088 5.607 -7.831 1348 3HG1 VAL 82 3HG1 VAL 82 -14.649 4.712 -9.245 1349 1HG2 VAL 82 1HG2 VAL 82 -12.867 2.985 -10.272 1350 2HG2 VAL 82 2HG2 VAL 82 -11.381 3.884 -10.585 1351 3HG2 VAL 82 3HG2 VAL 82 -12.948 4.578 -11.032 1352 H ASN 83 HN ASN 83 -9.832 5.013 -10.615 1353 HA ASN 83 HA ASN 83 -10.116 7.477 -12.222 1354 1HB ASN 83 2HB ASN 83 -8.443 5.077 -12.017 1355 2HB ASN 83 1HB ASN 83 -8.839 5.461 -13.678 1356 1HD2 ASN 83 1HD2 ASN 83 -6.339 5.938 -13.617 1357 2HD2 ASN 83 2HD2 ASN 83 -5.889 7.520 -13.200 1358 H VAL 84 HN VAL 84 -12.189 7.586 -13.117 1359 HA VAL 84 HA VAL 84 -13.353 5.036 -14.135 1360 HB VAL 84 HB VAL 84 -15.442 6.703 -14.202 1361 1HG1 VAL 84 1HG1 VAL 84 -15.001 4.594 -12.853 1362 2HG1 VAL 84 2HG1 VAL 84 -16.072 5.777 -12.099 1363 3HG1 VAL 84 3HG1 VAL 84 -14.392 5.644 -11.571 1364 1HG2 VAL 84 1HG2 VAL 84 -13.681 7.865 -12.017 1365 2HG2 VAL 84 2HG2 VAL 84 -15.350 8.317 -12.364 1366 3HG2 VAL 84 3HG2 VAL 84 -14.077 8.683 -13.529 1367 H GLU 85 HN GLU 85 -13.914 4.760 -16.221 1368 HA GLU 85 HA GLU 85 -13.580 7.062 -18.116 1369 1HB GLU 85 2HB GLU 85 -11.508 5.713 -17.977 1370 2HB GLU 85 1HB GLU 85 -12.434 4.258 -18.344 1371 1HG GLU 85 2HG GLU 85 -13.089 5.215 -20.521 1372 2HG GLU 85 1HG GLU 85 -12.162 6.673 -20.159 1373 H ARG 86 HN ARG 86 -15.194 7.095 -19.677 1374 HA ARG 86 HA ARG 86 -17.403 5.226 -19.391 1375 1HB ARG 86 2HB ARG 86 -17.661 7.636 -19.841 1376 2HB ARG 86 1HB ARG 86 -16.824 7.443 -21.382 1377 1HG ARG 86 2HG ARG 86 -18.580 5.959 -22.198 1378 2HG ARG 86 1HG ARG 86 -19.394 6.019 -20.634 1379 1HD ARG 86 2HD ARG 86 -20.485 7.578 -22.199 1380 2HD ARG 86 1HD ARG 86 -19.662 8.500 -20.925 1381 HE ARG 86 HE ARG 86 -17.844 8.007 -23.094 1382 1HH1 ARG 86 1HH1 ARG 86 -20.612 9.862 -22.170 1383 2HH1 ARG 86 2HH1 ARG 86 -20.238 11.180 -23.226 1384 1HH2 ARG 86 1HH2 ARG 86 -17.352 9.724 -24.472 1385 2HH2 ARG 86 2HH2 ARG 86 -18.396 11.104 -24.527 1386 H ALA 87 HN ALA 87 -17.747 3.388 -20.557 1387 HA ALA 87 HA ALA 87 -16.165 2.975 -23.082 1388 1HB ALA 87 1HB ALA 87 -15.816 1.624 -20.799 1389 2HB ALA 87 2HB ALA 87 -15.692 0.833 -22.372 1390 3HB ALA 87 3HB ALA 87 -17.179 0.701 -21.436 1391 H ALA 88 HN ALA 88 -17.290 2.104 -24.817 1392 HA ALA 88 HA ALA 88 -20.253 1.739 -24.475 1393 1HB ALA 88 1HB ALA 88 -19.651 3.908 -25.474 1394 2HB ALA 88 2HB ALA 88 -20.423 2.880 -26.682 1395 3HB ALA 88 3HB ALA 88 -18.669 3.084 -26.686 1396 H LYS 89 HN LYS 89 -21.120 -0.020 -25.585 1397 HA LYS 89 HA LYS 89 -19.352 -2.086 -26.587 1398 1HB LYS 89 2HB LYS 89 -21.532 -3.173 -27.115 1399 2HB LYS 89 1HB LYS 89 -21.503 -2.513 -25.480 1400 1HG LYS 89 2HG LYS 89 -22.414 -0.358 -26.892 1401 2HG LYS 89 1HG LYS 89 -23.117 -1.691 -27.812 1402 1HD LYS 89 2HD LYS 89 -24.114 -2.615 -25.782 1403 2HD LYS 89 1HD LYS 89 -23.347 -1.360 -24.807 1404 1HE LYS 89 2HE LYS 89 -24.640 0.377 -25.958 1405 2HE LYS 89 1HE LYS 89 -25.371 -0.846 -27.017 1406 1HZ LYS 89 1HZ LYS 89 -26.647 -1.657 -25.361 1407 2HZ LYS 89 2HZ LYS 89 -26.440 -0.112 -24.686 1408 3HZ LYS 89 3HZ LYS 89 -25.469 -1.406 -24.168 1409 H PHE 90 HN PHE 90 -20.938 0.664 -28.011 1410 HA PHE 90 HA PHE 90 -19.719 -0.080 -30.626 1411 1HB PHE 90 2HB PHE 90 -21.760 0.438 -31.813 1412 2HB PHE 90 1HB PHE 90 -22.168 -0.711 -30.541 1413 HD1 PHE 90 HD1 PHE 90 -23.509 -0.051 -28.620 1414 HD2 PHE 90 HD2 PHE 90 -22.340 2.825 -31.593 1415 HE1 PHE 90 HE1 PHE 90 -25.123 1.582 -27.677 1416 HE2 PHE 90 HE2 PHE 90 -23.953 4.457 -30.651 1417 HZ PHE 90 HZ PHE 90 -25.346 3.835 -28.693 1418 H SER 91 HN SER 91 -19.417 1.842 -32.006 1419 HA SER 91 HA SER 91 -19.796 4.467 -30.638 1420 1HB SER 91 2HB SER 91 -17.440 5.034 -31.236 1421 2HB SER 91 1HB SER 91 -17.534 3.680 -30.114 1422 HG SER 91 HG SER 91 -17.572 3.170 -32.867 1423 H ASP 92 HN ASP 92 -20.012 6.219 -32.127 1424 HA ASP 92 HA ASP 92 -20.993 5.566 -34.772 1425 1HB ASP 92 2HB ASP 92 -21.656 7.483 -33.256 1426 2HB ASP 92 1HB ASP 92 -20.107 8.234 -33.636 1427 H GLU 93 HN GLU 93 -18.033 7.190 -33.601 1428 HA GLU 93 HA GLU 93 -16.439 6.205 -35.831 1429 1HB GLU 93 2HB GLU 93 -16.155 8.518 -36.770 1430 2HB GLU 93 1HB GLU 93 -17.793 7.888 -36.924 1431 1HG GLU 93 2HG GLU 93 -18.557 9.177 -35.043 1432 2HG GLU 93 1HG GLU 93 -16.912 9.669 -34.643 1433 H ILE 94 HN ILE 94 -15.366 5.640 -33.647 1434 HA ILE 94 HA ILE 94 -14.165 7.617 -31.962 1435 HB ILE 94 HB ILE 94 -13.426 4.788 -32.764 1436 1HG1 ILE 94 2HG1 ILE 94 -15.578 5.199 -31.521 1437 2HG1 ILE 94 1HG1 ILE 94 -14.430 4.200 -30.632 1438 1HG2 ILE 94 1HG2 ILE 94 -12.220 6.620 -30.676 1439 2HG2 ILE 94 2HG2 ILE 94 -11.387 5.788 -31.990 1440 3HG2 ILE 94 3HG2 ILE 94 -12.036 4.866 -30.635 1441 1HD1 ILE 94 1HD1 ILE 94 -14.204 5.740 -28.989 1442 2HD1 ILE 94 2HD1 ILE 94 -15.651 6.490 -29.661 1443 3HD1 ILE 94 3HD1 ILE 94 -14.055 7.064 -30.145 1444 H GLY 95 HN GLY 95 -12.972 5.948 -34.879 1445 1HA GLY 95 2HA GLY 95 -11.037 6.374 -36.179 1446 2HA GLY 95 1HA GLY 95 -11.676 8.017 -36.129 1447 H GLY 96 HN GLY 96 -9.972 5.862 -33.810 1448 1HA GLY 96 2HA GLY 96 -8.643 8.046 -32.496 1449 2HA GLY 96 1HA GLY 96 -8.189 6.346 -32.360 1450 H HIS 97 HN HIS 97 -7.624 5.787 -35.056 1451 HA HIS 97 HA HIS 97 -5.090 7.323 -35.387 1452 1HB HIS 97 2HB HIS 97 -5.164 4.812 -35.187 1453 2HB HIS 97 1HB HIS 97 -6.064 4.769 -36.705 1454 HD1 HIS 97 HD1 HIS 97 -2.658 4.953 -35.358 1455 HD2 HIS 97 HD2 HIS 97 -4.522 5.903 -38.964 1456 HE1 HIS 97 HE1 HIS 97 -0.812 5.211 -37.072 1457 HN3 RBF 98 HN3 RBF 98 4.209 6.696 -13.426 1458 HC6 RBF 98 HC6 RBF 98 3.408 5.036 -20.132 1459 1HC7 RBF 98 1HC7 RBF 98 1.134 5.344 -22.976 1460 2HC7 RBF 98 2HC7 RBF 98 2.540 4.491 -22.305 1461 3HC7 RBF 98 3HC7 RBF 98 2.751 6.067 -23.096 1462 1HC8 RBF 98 1HC8 RBF 98 -0.547 6.692 -22.533 1463 2HC8 RBF 98 2HC8 RBF 98 0.723 7.820 -23.055 1464 3HC8 RBF 98 3HC8 RBF 98 -0.572 8.380 -21.977 1465 HC9 RBF 98 HC9 RBF 98 -0.051 8.569 -19.723 1466 1HC1 RBF 98 1HC1 RBF 98 0.317 9.523 -16.280 1467 2HC1 RBF 98 2HC1 RBF 98 -0.706 8.714 -17.486 1468 HC2* RBF 98 HC2* RBF 98 -0.272 10.310 -19.019 1469 HO2* RBF 98 HO2* RBF 98 1.657 10.106 -19.915 1470 HC3* RBF 98 HC3* RBF 98 0.999 12.374 -18.186 1471 HO3* RBF 98 HO3* RBF 98 2.378 11.638 -16.642 1472 HC4* RBF 98 HC4* RBF 98 -1.228 11.184 -16.482 1473 HO4* RBF 98 HO4* RBF 98 -1.071 12.498 -18.967 1474 1HC5 RBF 98 1HC5 RBF 98 -1.722 13.568 -15.930 1475 2HC5 RBF 98 2HC5 RBF 98 -0.137 13.052 -15.316 1476 HO5* RBF 98 HO5* RBF 98 -0.759 14.902 -17.321 1477 HN3 RBF 99 HN3 RBF 99 -18.693 -6.554 -12.446 1478 HC6 RBF 99 HC6 RBF 99 -18.117 -5.505 -19.296 1479 1HC7 RBF 99 1HC7 RBF 99 -15.929 -6.054 -22.173 1480 2HC7 RBF 99 2HC7 RBF 99 -17.322 -5.154 -21.537 1481 3HC7 RBF 99 3HC7 RBF 99 -17.542 -6.798 -22.174 1482 1HC8 RBF 99 1HC8 RBF 99 -14.224 -7.347 -21.662 1483 2HC8 RBF 99 2HC8 RBF 99 -15.498 -8.526 -22.039 1484 3HC8 RBF 99 3HC8 RBF 99 -14.163 -8.976 -20.956 1485 HC9 RBF 99 HC9 RBF 99 -14.610 -8.963 -18.679 1486 1HC1 RBF 99 1HC1 RBF 99 -14.865 -9.601 -15.154 1487 2HC1 RBF 99 2HC1 RBF 99 -13.889 -8.899 -16.459 1488 HC2* RBF 99 HC2* RBF 99 -14.361 -10.632 -17.823 1489 HO2* RBF 99 HO2* RBF 99 -16.313 -10.522 -18.675 1490 HC3* RBF 99 HC3* RBF 99 -15.579 -12.619 -16.768 1491 HO3* RBF 99 HO3* RBF 99 -16.915 -11.754 -15.256 1492 HC4* RBF 99 HC4* RBF 99 -13.311 -11.264 -15.252 1493 HO4* RBF 99 HO4* RBF 99 -13.533 -12.800 -17.602 1494 1HC5 RBF 99 1HC5 RBF 99 -12.777 -13.584 -14.501 1495 2HC5 RBF 99 2HC5 RBF 99 -14.347 -13.024 -13.887 1496 HO5* RBF 99 HO5* RBF 99 -13.770 -15.044 -15.735 Start of MODEL 21 1 1H MET 1 1HT MET 1 -14.805 -2.965 -30.438 2 2H MET 1 2HT MET 1 -15.928 -2.866 -29.167 3 3H MET 1 3HT MET 1 -16.112 -4.045 -30.376 4 HA MET 1 HA MET 1 -15.213 -5.259 -28.616 5 1HB MET 1 2HB MET 1 -13.070 -4.207 -30.489 6 2HB MET 1 1HB MET 1 -12.848 -5.618 -29.453 7 1HG MET 1 2HG MET 1 -14.780 -6.716 -30.524 8 2HG MET 1 1HG MET 1 -15.005 -5.307 -31.563 9 1HE MET 1 1HE MET 1 -13.868 -8.292 -33.636 10 2HE MET 1 2HE MET 1 -14.336 -6.694 -34.211 11 3HE MET 1 3HE MET 1 -15.195 -7.420 -32.856 12 H PHE 2 HN PHE 2 -14.344 -5.138 -26.552 13 HA PHE 2 HA PHE 2 -12.119 -3.549 -25.823 14 1HB PHE 2 2HB PHE 2 -13.058 -1.620 -24.939 15 2HB PHE 2 1HB PHE 2 -14.121 -1.887 -26.312 16 HD1 PHE 2 HD1 PHE 2 -15.950 -3.945 -25.502 17 HD2 PHE 2 HD2 PHE 2 -14.279 -0.772 -23.138 18 HE1 PHE 2 HE1 PHE 2 -17.871 -4.098 -23.937 19 HE2 PHE 2 HE2 PHE 2 -16.186 -0.935 -21.566 20 HZ PHE 2 HZ PHE 2 -17.991 -2.589 -21.971 21 H THR 3 HN THR 3 -11.417 -4.242 -23.796 22 HA THR 3 HA THR 3 -13.341 -5.903 -22.210 23 HB THR 3 HB THR 3 -11.738 -7.687 -22.234 24 HG1 THR 3 HG1 THR 3 -9.693 -7.037 -23.515 25 1HG2 THR 3 1HG2 THR 3 -11.247 -7.980 -24.678 26 2HG2 THR 3 2HG2 THR 3 -11.809 -6.328 -24.943 27 3HG2 THR 3 3HG2 THR 3 -12.924 -7.553 -24.339 28 H GLY 4 HN GLY 4 -10.381 -3.967 -22.291 29 1HA GLY 4 2HA GLY 4 -9.053 -3.124 -20.540 30 2HA GLY 4 1HA GLY 4 -10.598 -2.846 -19.730 31 H ILE 5 HN ILE 5 -9.713 -6.098 -20.651 32 HA ILE 5 HA ILE 5 -9.842 -6.886 -17.811 33 HB ILE 5 HB ILE 5 -9.435 -8.511 -20.345 34 1HG1 ILE 5 2HG1 ILE 5 -11.951 -7.683 -18.868 35 2HG1 ILE 5 1HG1 ILE 5 -11.480 -7.208 -20.495 36 1HG2 ILE 5 1HG2 ILE 5 -9.212 -10.215 -18.887 37 2HG2 ILE 5 2HG2 ILE 5 -10.896 -9.947 -18.441 38 3HG2 ILE 5 3HG2 ILE 5 -9.606 -9.174 -17.518 39 1HD1 ILE 5 1HD1 ILE 5 -11.342 -9.999 -20.527 40 2HD1 ILE 5 2HD1 ILE 5 -12.611 -9.009 -21.248 41 3HD1 ILE 5 3HD1 ILE 5 -12.806 -9.638 -19.612 42 H VAL 6 HN VAL 6 -8.099 -7.521 -16.577 43 HA VAL 6 HA VAL 6 -5.422 -6.932 -17.617 44 HB VAL 6 HB VAL 6 -6.763 -7.459 -14.993 45 1HG1 VAL 6 1HG1 VAL 6 -4.428 -7.345 -13.937 46 2HG1 VAL 6 2HG1 VAL 6 -3.803 -7.772 -15.529 47 3HG1 VAL 6 3HG1 VAL 6 -4.869 -8.885 -14.675 48 1HG2 VAL 6 1HG2 VAL 6 -5.506 -5.290 -16.458 49 2HG2 VAL 6 2HG2 VAL 6 -4.832 -5.443 -14.836 50 3HG2 VAL 6 3HG2 VAL 6 -6.569 -5.214 -15.052 51 H GLN 7 HN GLN 7 -3.750 -8.394 -17.891 52 HA GLN 7 HA GLN 7 -4.383 -11.163 -18.445 53 1HB GLN 7 2HB GLN 7 -1.832 -9.551 -18.176 54 2HB GLN 7 1HB GLN 7 -1.849 -11.241 -18.679 55 1HG GLN 7 2HG GLN 7 -3.191 -10.729 -20.616 56 2HG GLN 7 1HG GLN 7 -3.447 -9.073 -20.064 57 1HE2 GLN 7 1HE2 GLN 7 -2.109 -10.015 -22.595 58 2HE2 GLN 7 2HE2 GLN 7 -0.552 -9.342 -22.557 59 H GLY 8 HN GLY 8 -2.976 -9.447 -15.638 60 1HA GLY 8 2HA GLY 8 -3.324 -11.854 -13.985 61 2HA GLY 8 1HA GLY 8 -1.641 -11.480 -14.349 62 H THR 9 HN THR 9 -2.116 -11.400 -11.756 63 HA THR 9 HA THR 9 -2.699 -8.538 -11.080 64 HB THR 9 HB THR 9 -3.102 -9.692 -8.769 65 HG1 THR 9 HG1 THR 9 -3.964 -11.925 -9.544 66 1HG2 THR 9 1HG2 THR 9 -4.898 -10.114 -11.172 67 2HG2 THR 9 2HG2 THR 9 -4.896 -8.723 -10.088 68 3HG2 THR 9 3HG2 THR 9 -5.419 -10.301 -9.497 69 H ALA 10 HN ALA 10 -1.509 -7.785 -9.101 70 HA ALA 10 HA ALA 10 1.263 -8.913 -8.892 71 1HB ALA 10 1HB ALA 10 1.500 -6.147 -8.788 72 2HB ALA 10 2HB ALA 10 0.258 -6.387 -10.021 73 3HB ALA 10 3HB ALA 10 1.845 -7.142 -10.202 74 H LYS 11 HN LYS 11 2.211 -8.544 -6.836 75 HA LYS 11 HA LYS 11 0.262 -7.605 -4.755 76 1HB LYS 11 2HB LYS 11 1.005 -9.924 -4.599 77 2HB LYS 11 1HB LYS 11 2.688 -9.408 -4.653 78 1HG LYS 11 2HG LYS 11 2.421 -8.184 -2.554 79 2HG LYS 11 1HG LYS 11 0.711 -8.613 -2.501 80 1HD LYS 11 2HD LYS 11 1.140 -10.691 -1.717 81 2HD LYS 11 1HD LYS 11 2.482 -10.929 -2.836 82 1HE LYS 11 2HE LYS 11 3.913 -9.480 -1.380 83 2HE LYS 11 1HE LYS 11 2.572 -9.382 -0.221 84 1HZ LYS 11 1HZ LYS 11 4.223 -11.244 0.154 85 2HZ LYS 11 2HZ LYS 11 3.592 -11.965 -1.250 86 3HZ LYS 11 3HZ LYS 11 2.589 -11.696 0.094 87 H LEU 12 HN LEU 12 0.707 -5.538 -4.092 88 HA LEU 12 HA LEU 12 3.185 -4.132 -4.391 89 1HB LEU 12 2HB LEU 12 0.718 -3.405 -3.766 90 2HB LEU 12 1HB LEU 12 1.250 -3.716 -2.126 91 HG LEU 12 HG LEU 12 3.044 -2.102 -2.334 92 1HD1 LEU 12 1HD1 LEU 12 2.540 -2.541 -5.168 93 2HD1 LEU 12 2HD1 LEU 12 3.963 -1.857 -4.383 94 3HD1 LEU 12 3HD1 LEU 12 2.593 -0.821 -4.782 95 1HD2 LEU 12 1HD2 LEU 12 1.227 -0.275 -3.551 96 2HD2 LEU 12 2HD2 LEU 12 1.507 -0.530 -1.830 97 3HD2 LEU 12 3HD2 LEU 12 0.260 -1.455 -2.667 98 H VAL 13 HN VAL 13 5.044 -4.439 -3.277 99 HA VAL 13 HA VAL 13 4.885 -5.860 -0.646 100 HB VAL 13 HB VAL 13 5.770 -7.396 -2.186 101 1HG1 VAL 13 1HG1 VAL 13 7.897 -6.346 -3.554 102 2HG1 VAL 13 2HG1 VAL 13 6.765 -4.994 -3.536 103 3HG1 VAL 13 3HG1 VAL 13 6.272 -6.548 -4.214 104 1HG2 VAL 13 1HG2 VAL 13 7.218 -7.264 -0.248 105 2HG2 VAL 13 2HG2 VAL 13 8.086 -5.897 -0.947 106 3HG2 VAL 13 3HG2 VAL 13 8.229 -7.497 -1.675 107 H SER 14 HN SER 14 6.437 -3.396 -2.623 108 HA SER 14 HA SER 14 7.476 -2.150 -0.104 109 1HB SER 14 2HB SER 14 8.986 -3.769 -1.765 110 2HB SER 14 1HB SER 14 9.395 -2.148 -2.314 111 HG SER 14 HG SER 14 10.595 -3.130 -0.440 112 H ILE 15 HN ILE 15 7.615 0.096 -0.221 113 HA ILE 15 HA ILE 15 6.883 1.371 -2.840 114 HB ILE 15 HB ILE 15 6.752 2.533 -0.043 115 1HG1 ILE 15 2HG1 ILE 15 4.692 1.080 -1.709 116 2HG1 ILE 15 1HG1 ILE 15 5.234 0.705 -0.081 117 1HG2 ILE 15 1HG2 ILE 15 6.613 3.708 -2.592 118 2HG2 ILE 15 2HG2 ILE 15 6.140 4.447 -1.065 119 3HG2 ILE 15 3HG2 ILE 15 4.940 3.612 -2.047 120 1HD1 ILE 15 1HD1 ILE 15 3.122 1.781 0.181 121 2HD1 ILE 15 2HD1 ILE 15 3.550 3.049 -0.961 122 3HD1 ILE 15 3HD1 ILE 15 4.333 2.985 0.613 123 H ASP 16 HN ASP 16 8.461 2.548 -3.796 124 HA ASP 16 HA ASP 16 10.867 3.334 -2.194 125 1HB ASP 16 2HB ASP 16 10.310 2.719 -5.087 126 2HB ASP 16 1HB ASP 16 11.721 3.680 -4.641 127 H GLU 17 HN GLU 17 10.631 5.447 -1.507 128 HA GLU 17 HA GLU 17 9.076 7.317 -3.242 129 1HB GLU 17 2HB GLU 17 9.800 7.207 -0.310 130 2HB GLU 17 1HB GLU 17 9.088 8.647 -1.040 131 1HG GLU 17 2HG GLU 17 7.168 7.298 -1.818 132 2HG GLU 17 1HG GLU 17 7.875 5.866 -1.067 133 H LYS 18 HN LYS 18 10.451 8.392 -4.609 134 HA LYS 18 HA LYS 18 12.989 9.523 -3.488 135 1HB LYS 18 2HB LYS 18 12.179 9.602 -6.390 136 2HB LYS 18 1HB LYS 18 13.797 9.516 -5.697 137 1HG LYS 18 2HG LYS 18 12.690 7.171 -4.795 138 2HG LYS 18 1HG LYS 18 11.922 7.342 -6.373 139 1HD LYS 18 2HD LYS 18 14.865 7.843 -6.180 140 2HD LYS 18 1HD LYS 18 14.300 6.172 -6.127 141 1HE LYS 18 2HE LYS 18 13.880 6.177 -8.355 142 2HE LYS 18 1HE LYS 18 12.946 7.681 -8.226 143 1HZ LYS 18 1HZ LYS 18 15.031 8.911 -8.072 144 2HZ LYS 18 2HZ LYS 18 14.950 8.039 -9.528 145 3HZ LYS 18 3HZ LYS 18 15.911 7.472 -8.248 146 HA PRO 19 HA PRO 19 10.745 13.319 -3.026 147 1HB PRO 19 2HB PRO 19 13.046 14.926 -3.388 148 2HB PRO 19 1HB PRO 19 12.405 14.339 -1.843 149 1HG PRO 19 2HG PRO 19 14.617 13.269 -3.499 150 2HG PRO 19 1HG PRO 19 14.415 13.268 -1.740 151 1HD PRO 19 2HD PRO 19 14.076 11.040 -3.195 152 2HD PRO 19 1HD PRO 19 13.077 11.377 -1.761 153 H ASN 20 HN ASN 20 13.046 12.757 -5.661 154 HA ASN 20 HA ASN 20 12.002 14.838 -7.411 155 1HB ASN 20 2HB ASN 20 13.417 12.266 -8.153 156 2HB ASN 20 1HB ASN 20 13.464 13.808 -9.009 157 1HD2 ASN 20 1HD2 ASN 20 14.850 11.981 -6.371 158 2HD2 ASN 20 2HD2 ASN 20 15.967 13.157 -5.881 159 H PHE 21 HN PHE 21 11.404 11.355 -6.969 160 HA PHE 21 HA PHE 21 8.774 11.630 -8.307 161 1HB PHE 21 2HB PHE 21 10.986 9.773 -9.253 162 2HB PHE 21 1HB PHE 21 9.347 9.816 -9.899 163 HD1 PHE 21 HD1 PHE 21 8.566 11.691 -11.265 164 HD2 PHE 21 HD2 PHE 21 12.565 11.594 -9.690 165 HE1 PHE 21 HE1 PHE 21 9.216 13.528 -12.801 166 HE2 PHE 21 HE2 PHE 21 13.214 13.433 -11.225 167 HZ PHE 21 HZ PHE 21 11.540 14.400 -12.780 168 H ARG 22 HN ARG 22 7.343 9.885 -7.701 169 HA ARG 22 HA ARG 22 8.285 8.290 -5.379 170 1HB ARG 22 2HB ARG 22 6.185 9.567 -5.233 171 2HB ARG 22 1HB ARG 22 5.553 8.687 -6.622 172 1HG ARG 22 2HG ARG 22 5.743 6.567 -5.379 173 2HG ARG 22 1HG ARG 22 6.374 7.445 -3.985 174 1HD ARG 22 2HD ARG 22 4.265 8.735 -3.835 175 2HD ARG 22 1HD ARG 22 3.626 7.837 -5.225 176 HE ARG 22 HE ARG 22 4.431 5.821 -3.550 177 1HH1 ARG 22 1HH1 ARG 22 2.524 8.676 -3.143 178 2HH1 ARG 22 2HH1 ARG 22 1.548 7.996 -1.885 179 1HH2 ARG 22 1HH2 ARG 22 3.161 4.931 -1.910 180 2HH2 ARG 22 2HH2 ARG 22 1.907 5.882 -1.188 181 H THR 23 HN THR 23 8.300 6.053 -5.412 182 HA THR 23 HA THR 23 7.864 4.718 -8.055 183 HB THR 23 HB THR 23 10.068 4.291 -6.013 184 HG1 THR 23 HG1 THR 23 10.043 6.310 -7.268 185 1HG2 THR 23 1HG2 THR 23 9.110 2.638 -8.083 186 2HG2 THR 23 2HG2 THR 23 10.623 2.459 -7.196 187 3HG2 THR 23 3HG2 THR 23 10.590 3.368 -8.706 188 H HIS 24 HN HIS 24 6.886 2.675 -7.920 189 HA HIS 24 HA HIS 24 6.435 1.568 -5.175 190 1HB HIS 24 2HB HIS 24 4.587 2.470 -7.226 191 2HB HIS 24 1HB HIS 24 4.298 0.788 -6.780 192 HD1 HIS 24 HD1 HIS 24 3.012 3.861 -5.840 193 HD2 HIS 24 HD2 HIS 24 4.802 0.843 -3.595 194 HE1 HIS 24 HE1 HIS 24 2.278 4.200 -3.437 195 H VAL 25 HN VAL 25 6.599 -0.691 -5.009 196 HA VAL 25 HA VAL 25 7.371 -2.128 -7.520 197 HB VAL 25 HB VAL 25 8.377 -2.693 -4.737 198 1HG1 VAL 25 1HG1 VAL 25 10.191 -3.808 -5.914 199 2HG1 VAL 25 2HG1 VAL 25 9.569 -3.244 -7.466 200 3HG1 VAL 25 3HG1 VAL 25 8.651 -4.418 -6.521 201 1HG2 VAL 25 1HG2 VAL 25 9.301 -0.656 -6.749 202 2HG2 VAL 25 2HG2 VAL 25 10.464 -1.414 -5.660 203 3HG2 VAL 25 3HG2 VAL 25 9.118 -0.481 -5.004 204 H VAL 26 HN VAL 26 6.272 -3.982 -7.907 205 HA VAL 26 HA VAL 26 4.514 -5.076 -5.738 206 HB VAL 26 HB VAL 26 3.036 -5.713 -7.632 207 1HG1 VAL 26 1HG1 VAL 26 2.770 -3.216 -8.504 208 2HG1 VAL 26 2HG1 VAL 26 3.906 -2.881 -7.199 209 3HG1 VAL 26 3HG1 VAL 26 2.354 -3.641 -6.845 210 1HG2 VAL 26 1HG2 VAL 26 4.832 -4.101 -9.438 211 2HG2 VAL 26 2HG2 VAL 26 3.581 -5.265 -9.876 212 3HG2 VAL 26 3HG2 VAL 26 5.114 -5.827 -9.207 213 H GLU 27 HN GLU 27 3.979 -7.472 -6.220 214 HA GLU 27 HA GLU 27 6.493 -8.939 -6.818 215 1HB GLU 27 2HB GLU 27 4.814 -8.960 -4.705 216 2HB GLU 27 1HB GLU 27 4.026 -10.167 -5.715 217 1HG GLU 27 2HG GLU 27 5.956 -11.554 -5.747 218 2HG GLU 27 1HG GLU 27 6.979 -10.275 -5.098 219 H LEU 28 HN LEU 28 6.594 -9.726 -8.853 220 HA LEU 28 HA LEU 28 4.236 -9.920 -10.543 221 1HB LEU 28 2HB LEU 28 6.793 -9.283 -10.925 222 2HB LEU 28 1HB LEU 28 6.944 -11.011 -11.223 223 HG LEU 28 HG LEU 28 5.348 -10.919 -13.022 224 1HD1 LEU 28 1HD1 LEU 28 4.607 -8.366 -13.530 225 2HD1 LEU 28 2HD1 LEU 28 4.693 -8.304 -11.769 226 3HD1 LEU 28 3HD1 LEU 28 3.630 -9.469 -12.560 227 1HD2 LEU 28 1HD2 LEU 28 7.075 -8.442 -13.279 228 2HD2 LEU 28 2HD2 LEU 28 6.516 -9.493 -14.578 229 3HD2 LEU 28 3HD2 LEU 28 7.715 -10.078 -13.425 230 HA PRO 29 HA PRO 29 3.435 -14.132 -9.257 231 1HB PRO 29 2HB PRO 29 1.421 -14.566 -11.076 232 2HB PRO 29 1HB PRO 29 1.193 -13.757 -9.516 233 1HG PRO 29 2HG PRO 29 1.467 -12.585 -12.230 234 2HG PRO 29 1HG PRO 29 0.465 -12.066 -10.868 235 1HD PRO 29 2HD PRO 29 2.776 -10.826 -11.563 236 2HD PRO 29 1HD PRO 29 2.168 -10.881 -9.895 237 H ASP 30 HN ASP 30 3.032 -16.248 -10.653 238 HA ASP 30 HA ASP 30 5.422 -16.729 -12.101 239 1HB ASP 30 2HB ASP 30 2.765 -18.168 -11.892 240 2HB ASP 30 1HB ASP 30 4.178 -18.875 -12.679 241 H HIS 31 HN HIS 31 2.112 -16.077 -13.297 242 HA HIS 31 HA HIS 31 3.031 -16.452 -16.068 243 1HB HIS 31 2HB HIS 31 0.634 -16.136 -16.576 244 2HB HIS 31 1HB HIS 31 0.869 -17.320 -15.295 245 HD1 HIS 31 HD1 HIS 31 1.501 -14.349 -13.556 246 HD2 HIS 31 HD2 HIS 31 -1.999 -16.012 -15.091 247 HE1 HIS 31 HE1 HIS 31 -0.416 -13.277 -12.300 248 H MET 32 HN MET 32 3.275 -13.922 -13.979 249 HA MET 32 HA MET 32 3.114 -11.939 -16.228 250 1HB MET 32 2HB MET 32 2.843 -11.652 -13.225 251 2HB MET 32 1HB MET 32 2.997 -10.272 -14.311 252 1HG MET 32 2HG MET 32 0.822 -12.383 -14.437 253 2HG MET 32 1HG MET 32 0.627 -10.741 -13.821 254 1HE MET 32 1HE MET 32 0.729 -8.420 -16.677 255 2HE MET 32 2HE MET 32 2.241 -8.842 -15.876 256 3HE MET 32 3HE MET 32 0.754 -8.737 -14.937 257 H LEU 33 HN LEU 33 5.129 -13.669 -14.054 258 HA LEU 33 HA LEU 33 7.367 -11.851 -13.853 259 1HB LEU 33 2HB LEU 33 6.861 -14.801 -13.571 260 2HB LEU 33 1HB LEU 33 8.520 -14.207 -13.559 261 HG LEU 33 HG LEU 33 6.432 -12.938 -11.789 262 1HD1 LEU 33 1HD1 LEU 33 8.235 -15.038 -10.681 263 2HD1 LEU 33 2HD1 LEU 33 6.841 -15.594 -11.606 264 3HD1 LEU 33 3HD1 LEU 33 6.607 -14.581 -10.182 265 1HD2 LEU 33 1HD2 LEU 33 9.431 -13.312 -11.526 266 2HD2 LEU 33 2HD2 LEU 33 8.400 -12.337 -10.479 267 3HD2 LEU 33 3HD2 LEU 33 8.657 -11.858 -12.156 268 H ASP 34 HN ASP 34 6.435 -14.377 -16.155 269 HA ASP 34 HA ASP 34 8.874 -14.201 -17.721 270 1HB ASP 34 2HB ASP 34 6.151 -15.470 -17.949 271 2HB ASP 34 1HB ASP 34 7.297 -15.568 -19.289 272 H GLY 35 HN GLY 35 9.293 -12.816 -19.406 273 1HA GLY 35 2HA GLY 35 8.665 -11.693 -21.440 274 2HA GLY 35 1HA GLY 35 7.006 -11.605 -20.850 275 H LEU 36 HN LEU 36 7.461 -10.454 -18.310 276 HA LEU 36 HA LEU 36 7.564 -7.693 -19.075 277 1HB LEU 36 2HB LEU 36 6.354 -8.924 -17.145 278 2HB LEU 36 1HB LEU 36 7.879 -8.766 -16.271 279 HG LEU 36 HG LEU 36 6.733 -6.339 -17.603 280 1HD1 LEU 36 1HD1 LEU 36 4.813 -7.234 -16.402 281 2HD1 LEU 36 2HD1 LEU 36 5.461 -5.864 -15.498 282 3HD1 LEU 36 3HD1 LEU 36 5.798 -7.511 -14.966 283 1HD2 LEU 36 1HD2 LEU 36 7.684 -5.601 -15.169 284 2HD2 LEU 36 2HD2 LEU 36 8.698 -5.708 -16.609 285 3HD2 LEU 36 3HD2 LEU 36 8.658 -7.042 -15.455 286 H GLU 37 HN GLU 37 9.163 -6.130 -18.719 287 HA GLU 37 HA GLU 37 11.749 -6.921 -17.495 288 1HB GLU 37 2HB GLU 37 12.934 -6.233 -19.571 289 2HB GLU 37 1HB GLU 37 11.847 -7.590 -19.871 290 1HG GLU 37 2HG GLU 37 10.123 -6.030 -20.699 291 2HG GLU 37 1HG GLU 37 11.210 -4.672 -20.405 292 H THR 38 HN THR 38 13.198 -4.891 -17.356 293 HA THR 38 HA THR 38 11.676 -2.709 -16.271 294 HB THR 38 HB THR 38 14.216 -1.763 -16.754 295 HG1 THR 38 HG1 THR 38 15.257 -3.946 -16.042 296 1HG2 THR 38 1HG2 THR 38 14.632 -2.948 -14.432 297 2HG2 THR 38 2HG2 THR 38 12.908 -3.294 -14.553 298 3HG2 THR 38 3HG2 THR 38 13.474 -1.626 -14.570 299 H GLY 39 HN GLY 39 11.377 -0.582 -17.130 300 1HA GLY 39 2HA GLY 39 11.152 1.054 -18.830 301 2HA GLY 39 1HA GLY 39 12.118 0.043 -19.899 302 H ALA 40 HN ALA 40 9.950 -2.040 -18.637 303 HA ALA 40 HA ALA 40 8.200 -2.044 -20.986 304 1HB ALA 40 1HB ALA 40 8.909 -4.111 -19.912 305 2HB ALA 40 2HB ALA 40 7.174 -3.930 -19.643 306 3HB ALA 40 3HB ALA 40 8.314 -3.545 -18.349 307 H SER 41 HN SER 41 5.786 -1.777 -20.733 308 HA SER 41 HA SER 41 5.188 0.200 -18.565 309 1HB SER 41 2HB SER 41 3.103 0.400 -20.232 310 2HB SER 41 1HB SER 41 4.626 1.210 -20.564 311 HG SER 41 HG SER 41 4.092 0.074 -22.380 312 H VAL 42 HN VAL 42 4.171 -0.692 -16.850 313 HA VAL 42 HA VAL 42 2.476 -3.118 -17.212 314 HB VAL 42 HB VAL 42 4.197 -1.930 -15.115 315 1HG1 VAL 42 1HG1 VAL 42 2.442 -1.644 -13.666 316 2HG1 VAL 42 2HG1 VAL 42 2.724 -3.368 -13.421 317 3HG1 VAL 42 3HG1 VAL 42 1.430 -2.828 -14.491 318 1HG2 VAL 42 1HG2 VAL 42 4.767 -4.153 -14.739 319 2HG2 VAL 42 2HG2 VAL 42 4.312 -4.188 -16.444 320 3HG2 VAL 42 3HG2 VAL 42 3.172 -4.733 -15.211 321 H ALA 43 HN ALA 43 0.323 -2.711 -17.432 322 HA ALA 43 HA ALA 43 -0.834 -0.142 -16.564 323 1HB ALA 43 1HB ALA 43 -1.495 -1.287 -18.668 324 2HB ALA 43 2HB ALA 43 -2.865 -1.096 -17.574 325 3HB ALA 43 3HB ALA 43 -2.066 -2.662 -17.723 326 H HIS 44 HN HIS 44 -1.363 0.069 -14.439 327 HA HIS 44 HA HIS 44 -1.927 -2.316 -12.777 328 1HB HIS 44 2HB HIS 44 -1.405 0.614 -12.398 329 2HB HIS 44 1HB HIS 44 -2.288 -0.236 -11.131 330 HD1 HIS 44 HD1 HIS 44 0.618 -1.583 -13.232 331 HD2 HIS 44 HD2 HIS 44 -0.304 -0.661 -9.260 332 HE1 HIS 44 HE1 HIS 44 2.585 -2.357 -11.826 333 HE2 HIS 44 HE2 HIS 44 2.024 -1.804 -9.425 334 H ASN 45 HN ASN 45 -3.907 -3.084 -13.282 335 HA ASN 45 HA ASN 45 -6.205 -3.205 -13.671 336 1HB ASN 45 2HB ASN 45 -5.902 -1.774 -11.444 337 2HB ASN 45 1HB ASN 45 -6.578 -0.506 -12.467 338 1HD2 ASN 45 1HD2 ASN 45 -7.330 -3.386 -10.690 339 2HD2 ASN 45 2HD2 ASN 45 -8.950 -3.520 -11.163 340 H GLY 46 HN GLY 46 -4.191 -1.285 -15.312 341 1HA GLY 46 2HA GLY 46 -5.049 -0.997 -17.660 342 2HA GLY 46 1HA GLY 46 -6.404 -0.128 -16.949 343 H CYS 47 HN CYS 47 -3.913 0.876 -15.065 344 HA CYS 47 HA CYS 47 -3.462 3.286 -16.759 345 1HB CYS 47 2HB CYS 47 -4.148 3.431 -14.334 346 2HB CYS 47 1HB CYS 47 -2.616 2.671 -13.905 347 HG CYS 47 HG CYS 47 -1.512 4.801 -15.264 348 H CYS 48 HN CYS 48 -1.834 2.780 -18.250 349 HA CYS 48 HA CYS 48 0.269 0.902 -17.691 350 1HB CYS 48 2HB CYS 48 1.142 1.798 -19.880 351 2HB CYS 48 1HB CYS 48 -0.556 1.323 -19.934 352 HG CYS 48 HG CYS 48 0.452 4.094 -20.469 353 H LEU 49 HN LEU 49 2.046 1.259 -16.476 354 HA LEU 49 HA LEU 49 3.349 3.936 -16.616 355 1HB LEU 49 2HB LEU 49 3.946 3.432 -14.133 356 2HB LEU 49 1HB LEU 49 2.306 3.971 -14.491 357 HG LEU 49 HG LEU 49 2.653 1.057 -14.690 358 1HD1 LEU 49 1HD1 LEU 49 3.723 0.708 -12.739 359 2HD1 LEU 49 2HD1 LEU 49 2.419 1.550 -11.899 360 3HD1 LEU 49 3HD1 LEU 49 3.829 2.452 -12.472 361 1HD2 LEU 49 1HD2 LEU 49 0.558 2.776 -14.475 362 2HD2 LEU 49 2HD2 LEU 49 0.768 2.344 -12.779 363 3HD2 LEU 49 3HD2 LEU 49 0.462 1.087 -13.979 364 H THR 50 HN THR 50 5.731 3.751 -16.184 365 HA THR 50 HA THR 50 6.653 1.272 -17.494 366 HB THR 50 HB THR 50 8.102 3.865 -16.875 367 HG1 THR 50 HG1 THR 50 7.555 4.107 -19.224 368 1HG2 THR 50 1HG2 THR 50 9.710 2.203 -17.450 369 2HG2 THR 50 2HG2 THR 50 9.416 3.092 -18.944 370 3HG2 THR 50 3HG2 THR 50 8.668 1.515 -18.694 371 H VAL 51 HN VAL 51 8.452 0.052 -16.783 372 HA VAL 51 HA VAL 51 8.673 -0.256 -13.886 373 HB VAL 51 HB VAL 51 10.208 -1.580 -16.149 374 1HG1 VAL 51 1HG1 VAL 51 11.207 -2.527 -14.346 375 2HG1 VAL 51 2HG1 VAL 51 9.717 -3.464 -14.230 376 3HG1 VAL 51 3HG1 VAL 51 9.926 -2.015 -13.247 377 1HG2 VAL 51 1HG2 VAL 51 7.379 -1.727 -15.360 378 2HG2 VAL 51 2HG2 VAL 51 8.182 -3.296 -15.456 379 3HG2 VAL 51 3HG2 VAL 51 8.164 -2.225 -16.859 380 H THR 52 HN THR 52 10.029 1.095 -12.763 381 HA THR 52 HA THR 52 12.328 2.459 -13.902 382 HB THR 52 HB THR 52 12.643 3.167 -11.602 383 HG1 THR 52 HG1 THR 52 11.341 2.102 -9.976 384 1HG2 THR 52 1HG2 THR 52 10.515 3.849 -12.939 385 2HG2 THR 52 2HG2 THR 52 10.575 4.200 -11.212 386 3HG2 THR 52 3HG2 THR 52 9.663 2.809 -11.797 387 H GLU 53 HN GLU 53 11.811 -0.452 -11.925 388 HA GLU 53 HA GLU 53 14.344 -1.605 -12.880 389 1HB GLU 53 2HB GLU 53 15.042 -0.055 -11.085 390 2HB GLU 53 1HB GLU 53 13.913 -0.833 -9.975 391 1HG GLU 53 2HG GLU 53 15.120 -2.968 -10.231 392 2HG GLU 53 1HG GLU 53 16.253 -2.195 -11.341 393 H ILE 54 HN ILE 54 14.486 -3.881 -12.284 394 HA ILE 54 HA ILE 54 11.907 -5.027 -11.246 395 HB ILE 54 HB ILE 54 14.169 -6.103 -12.970 396 1HG1 ILE 54 2HG1 ILE 54 11.338 -6.258 -13.797 397 2HG1 ILE 54 1HG1 ILE 54 11.974 -4.622 -13.652 398 1HG2 ILE 54 1HG2 ILE 54 12.072 -7.950 -12.963 399 2HG2 ILE 54 2HG2 ILE 54 12.255 -7.500 -11.268 400 3HG2 ILE 54 3HG2 ILE 54 13.631 -8.145 -12.162 401 1HD1 ILE 54 1HD1 ILE 54 12.258 -6.118 -15.891 402 2HD1 ILE 54 2HD1 ILE 54 13.726 -6.584 -15.033 403 3HD1 ILE 54 3HD1 ILE 54 13.425 -4.886 -15.412 404 H ASN 55 HN ASN 55 11.970 -5.919 -9.273 405 HA ASN 55 HA ASN 55 14.611 -6.219 -7.921 406 1HB ASN 55 2HB ASN 55 11.762 -5.727 -7.137 407 2HB ASN 55 1HB ASN 55 12.824 -6.496 -5.956 408 1HD2 ASN 55 1HD2 ASN 55 13.098 -3.767 -8.319 409 2HD2 ASN 55 2HD2 ASN 55 13.856 -2.711 -7.228 410 H GLY 56 HN GLY 56 14.560 -8.231 -9.557 411 1HA GLY 56 2HA GLY 56 14.611 -10.601 -9.622 412 2HA GLY 56 1HA GLY 56 13.945 -10.631 -7.987 413 H ASN 57 HN ASN 57 11.915 -11.464 -7.920 414 HA ASN 57 HA ASN 57 10.237 -11.640 -10.291 415 1HB ASN 57 2HB ASN 57 9.157 -13.154 -8.979 416 2HB ASN 57 1HB ASN 57 10.466 -12.896 -7.848 417 1HD2 ASN 57 1HD2 ASN 57 7.394 -11.367 -8.764 418 2HD2 ASN 57 2HD2 ASN 57 6.926 -10.944 -7.189 419 H HIS 58 HN HIS 58 10.817 -9.298 -7.815 420 HA HIS 58 HA HIS 58 8.237 -7.968 -7.888 421 1HB HIS 58 2HB HIS 58 11.008 -7.409 -6.869 422 2HB HIS 58 1HB HIS 58 9.782 -6.146 -6.816 423 HD1 HIS 58 HD1 HIS 58 11.139 -8.365 -4.566 424 HD2 HIS 58 HD2 HIS 58 7.180 -7.704 -5.705 425 HE1 HIS 58 HE1 HIS 58 9.688 -9.229 -2.682 426 H VAL 59 HN VAL 59 7.942 -5.756 -8.707 427 HA VAL 59 HA VAL 59 9.988 -4.831 -10.636 428 HB VAL 59 HB VAL 59 7.066 -5.343 -11.215 429 1HG1 VAL 59 1HG1 VAL 59 8.055 -4.383 -13.542 430 2HG1 VAL 59 2HG1 VAL 59 8.998 -3.423 -12.400 431 3HG1 VAL 59 3HG1 VAL 59 7.234 -3.362 -12.360 432 1HG2 VAL 59 1HG2 VAL 59 9.651 -6.586 -11.814 433 2HG2 VAL 59 2HG2 VAL 59 8.700 -6.265 -13.270 434 3HG2 VAL 59 3HG2 VAL 59 8.024 -7.255 -11.975 435 H SER 60 HN SER 60 10.415 -2.756 -10.172 436 HA SER 60 HA SER 60 8.548 -1.156 -8.513 437 1HB SER 60 2HB SER 60 11.409 -0.704 -9.418 438 2HB SER 60 1HB SER 60 10.566 0.200 -8.166 439 HG SER 60 HG SER 60 11.984 -1.645 -7.527 440 H PHE 61 HN PHE 61 7.240 0.343 -9.609 441 HA PHE 61 HA PHE 61 8.244 1.335 -12.261 442 1HB PHE 61 2HB PHE 61 5.697 1.659 -12.624 443 2HB PHE 61 1HB PHE 61 6.326 0.012 -12.647 444 HD1 PHE 61 HD1 PHE 61 5.709 -1.584 -10.995 445 HD2 PHE 61 HD2 PHE 61 4.591 2.541 -10.537 446 HE1 PHE 61 HE1 PHE 61 4.217 -2.197 -9.117 447 HE2 PHE 61 HE2 PHE 61 3.093 1.926 -8.655 448 HZ PHE 61 HZ PHE 61 2.906 -0.445 -7.945 449 H ASP 62 HN ASP 62 7.615 3.559 -12.803 450 HA ASP 62 HA ASP 62 7.973 5.257 -10.413 451 1HB ASP 62 2HB ASP 62 8.532 6.955 -12.130 452 2HB ASP 62 1HB ASP 62 9.408 5.450 -12.410 453 H LEU 63 HN LEU 63 6.772 7.171 -10.035 454 HA LEU 63 HA LEU 63 4.118 7.499 -11.295 455 1HB LEU 63 2HB LEU 63 4.714 5.823 -9.021 456 2HB LEU 63 1HB LEU 63 3.672 7.147 -8.518 457 HG LEU 63 HG LEU 63 2.872 5.943 -11.074 458 1HD1 LEU 63 1HD1 LEU 63 2.336 3.798 -10.365 459 2HD1 LEU 63 2HD1 LEU 63 2.308 4.257 -8.662 460 3HD1 LEU 63 3HD1 LEU 63 3.852 4.053 -9.496 461 1HD2 LEU 63 1HD2 LEU 63 1.729 7.394 -8.944 462 2HD2 LEU 63 2HD2 LEU 63 0.967 5.806 -8.888 463 3HD2 LEU 63 3HD2 LEU 63 0.886 6.769 -10.360 464 H MET 64 HN MET 64 4.513 9.763 -11.554 465 HA MET 64 HA MET 64 5.852 11.431 -9.659 466 1HB MET 64 2HB MET 64 5.249 11.906 -12.079 467 2HB MET 64 1HB MET 64 3.594 12.183 -11.542 468 1HG MET 64 2HG MET 64 4.384 13.961 -10.020 469 2HG MET 64 1HG MET 64 6.037 13.692 -10.570 470 1HE MET 64 1HE MET 64 6.907 13.899 -12.671 471 2HE MET 64 2HE MET 64 6.365 14.948 -13.979 472 3HE MET 64 3HE MET 64 5.739 13.305 -13.859 473 H LYS 65 HN LYS 65 5.094 12.425 -7.788 474 HA LYS 65 HA LYS 65 2.998 11.228 -6.367 475 1HB LYS 65 2HB LYS 65 4.889 12.484 -5.408 476 2HB LYS 65 1HB LYS 65 4.229 13.986 -6.059 477 1HG LYS 65 2HG LYS 65 2.191 13.682 -4.700 478 2HG LYS 65 1HG LYS 65 2.852 12.183 -4.046 479 1HD LYS 65 2HD LYS 65 4.736 13.410 -3.070 480 2HD LYS 65 1HD LYS 65 4.137 14.916 -3.767 481 1HE LYS 65 2HE LYS 65 1.911 14.008 -2.423 482 2HE LYS 65 1HE LYS 65 3.230 13.491 -1.352 483 1HZ LYS 65 1HZ LYS 65 2.505 15.829 -0.987 484 2HZ LYS 65 2HZ LYS 65 3.039 16.199 -2.557 485 3HZ LYS 65 3HZ LYS 65 4.147 15.676 -1.380 486 H GLU 66 HN GLU 66 2.942 14.394 -8.068 487 HA GLU 66 HA GLU 66 0.176 14.946 -7.446 488 1HB GLU 66 2HB GLU 66 1.833 16.640 -8.165 489 2HB GLU 66 1HB GLU 66 1.962 15.847 -9.736 490 1HG GLU 66 2HG GLU 66 0.440 17.697 -9.999 491 2HG GLU 66 1HG GLU 66 -0.524 16.219 -10.024 492 H THR 67 HN THR 67 1.791 13.335 -10.174 493 HA THR 67 HA THR 67 -0.561 12.769 -11.736 494 HB THR 67 HB THR 67 2.020 11.224 -11.321 495 HG1 THR 67 HG1 THR 67 1.280 13.459 -12.803 496 1HG2 THR 67 1HG2 THR 67 -0.224 11.019 -13.308 497 2HG2 THR 67 2HG2 THR 67 0.610 9.730 -12.440 498 3HG2 THR 67 3HG2 THR 67 1.414 10.561 -13.772 499 H LEU 68 HN LEU 68 1.012 11.111 -9.020 500 HA LEU 68 HA LEU 68 -0.531 8.741 -8.966 501 1HB LEU 68 2HB LEU 68 1.572 9.192 -7.747 502 2HB LEU 68 1HB LEU 68 0.747 10.399 -6.765 503 HG LEU 68 HG LEU 68 -0.851 8.543 -6.056 504 1HD1 LEU 68 1HD1 LEU 68 -0.054 6.248 -6.330 505 2HD1 LEU 68 2HD1 LEU 68 1.367 6.820 -7.199 506 3HD1 LEU 68 3HD1 LEU 68 -0.234 6.995 -7.918 507 1HD2 LEU 68 1HD2 LEU 68 1.548 7.495 -4.939 508 2HD2 LEU 68 2HD2 LEU 68 0.452 8.681 -4.226 509 3HD2 LEU 68 3HD2 LEU 68 1.808 9.217 -5.221 510 H ARG 69 HN ARG 69 -1.031 11.907 -7.387 511 HA ARG 69 HA ARG 69 -3.510 11.175 -6.082 512 1HB ARG 69 2HB ARG 69 -1.951 13.025 -5.454 513 2HB ARG 69 1HB ARG 69 -2.413 13.872 -6.930 514 1HG ARG 69 2HG ARG 69 -4.695 14.072 -6.198 515 2HG ARG 69 1HG ARG 69 -4.407 12.999 -4.828 516 1HD ARG 69 2HD ARG 69 -2.920 14.618 -3.791 517 2HD ARG 69 1HD ARG 69 -3.018 15.671 -5.216 518 HE ARG 69 HE ARG 69 -5.149 16.375 -4.476 519 1HH1 ARG 69 1HH1 ARG 69 -4.199 13.399 -2.996 520 2HH1 ARG 69 2HH1 ARG 69 -5.569 13.341 -1.939 521 1HH2 ARG 69 1HH2 ARG 69 -6.936 16.306 -3.101 522 2HH2 ARG 69 2HH2 ARG 69 -7.115 14.983 -1.997 523 H ILE 70 HN ILE 70 -2.707 12.732 -9.181 524 HA ILE 70 HA ILE 70 -5.340 13.524 -9.896 525 HB ILE 70 HB ILE 70 -2.766 13.791 -10.792 526 1HG1 ILE 70 2HG1 ILE 70 -5.264 14.412 -12.380 527 2HG1 ILE 70 1HG1 ILE 70 -4.667 15.374 -11.029 528 1HG2 ILE 70 1HG2 ILE 70 -2.594 11.817 -12.084 529 2HG2 ILE 70 2HG2 ILE 70 -2.926 13.097 -13.249 530 3HG2 ILE 70 3HG2 ILE 70 -4.218 12.011 -12.746 531 1HD1 ILE 70 1HD1 ILE 70 -3.851 16.428 -13.026 532 2HD1 ILE 70 2HD1 ILE 70 -3.303 14.887 -13.686 533 3HD1 ILE 70 3HD1 ILE 70 -2.477 15.596 -12.298 534 H THR 71 HN THR 71 -3.485 10.590 -10.585 535 HA THR 71 HA THR 71 -5.735 9.289 -11.951 536 HB THR 71 HB THR 71 -4.162 7.454 -12.161 537 HG1 THR 71 HG1 THR 71 -2.525 8.867 -10.331 538 1HG2 THR 71 1HG2 THR 71 -1.977 9.058 -12.590 539 2HG2 THR 71 2HG2 THR 71 -3.307 10.212 -12.677 540 3HG2 THR 71 3HG2 THR 71 -3.286 8.806 -13.743 541 H ASN 72 HN ASN 72 -5.942 6.849 -10.948 542 HA ASN 72 HA ASN 72 -6.605 7.176 -8.058 543 1HB ASN 72 2HB ASN 72 -8.481 6.419 -9.266 544 2HB ASN 72 1HB ASN 72 -7.503 5.431 -10.340 545 1HD2 ASN 72 1HD2 ASN 72 -8.629 3.441 -9.903 546 2HD2 ASN 72 2HD2 ASN 72 -8.560 2.675 -8.389 547 H LEU 73 HN LEU 73 -3.880 6.724 -9.490 548 HA LEU 73 HA LEU 73 -3.021 4.044 -8.752 549 1HB LEU 73 2HB LEU 73 -1.622 6.675 -9.316 550 2HB LEU 73 1HB LEU 73 -0.763 5.159 -9.054 551 HG LEU 73 HG LEU 73 -2.818 5.662 -11.240 552 1HD1 LEU 73 1HD1 LEU 73 -0.668 6.818 -11.608 553 2HD1 LEU 73 2HD1 LEU 73 -0.871 5.480 -12.739 554 3HD1 LEU 73 3HD1 LEU 73 0.193 5.301 -11.346 555 1HD2 LEU 73 1HD2 LEU 73 -1.661 3.403 -11.991 556 2HD2 LEU 73 2HD2 LEU 73 -2.986 3.369 -10.828 557 3HD2 LEU 73 3HD2 LEU 73 -1.318 3.243 -10.268 558 H GLY 74 HN GLY 74 -2.920 7.249 -7.187 559 1HA GLY 74 2HA GLY 74 -1.283 6.747 -5.019 560 2HA GLY 74 1HA GLY 74 -2.676 7.817 -4.929 561 H ASP 75 HN ASP 75 -4.407 5.383 -5.634 562 HA ASP 75 HA ASP 75 -5.251 4.840 -2.965 563 1HB ASP 75 2HB ASP 75 -6.820 3.367 -4.072 564 2HB ASP 75 1HB ASP 75 -6.546 4.746 -5.136 565 H LEU 76 HN LEU 76 -2.760 3.404 -4.862 566 HA LEU 76 HA LEU 76 -2.826 0.712 -3.988 567 1HB LEU 76 2HB LEU 76 -0.521 2.519 -4.732 568 2HB LEU 76 1HB LEU 76 -0.422 0.764 -4.654 569 HG LEU 76 HG LEU 76 -2.373 2.282 -6.404 570 1HD1 LEU 76 1HD1 LEU 76 0.016 0.707 -7.354 571 2HD1 LEU 76 2HD1 LEU 76 0.163 2.418 -6.951 572 3HD1 LEU 76 3HD1 LEU 76 -0.933 1.906 -8.233 573 1HD2 LEU 76 1HD2 LEU 76 -3.369 0.274 -6.625 574 2HD2 LEU 76 2HD2 LEU 76 -2.204 -0.436 -5.505 575 3HD2 LEU 76 3HD2 LEU 76 -1.856 -0.397 -7.235 576 H LYS 77 HN LYS 77 -1.984 -0.341 -2.250 577 HA LYS 77 HA LYS 77 -0.286 1.126 -0.303 578 1HB LYS 77 2HB LYS 77 -2.845 -0.376 0.349 579 2HB LYS 77 1HB LYS 77 -1.711 0.233 1.556 580 1HG LYS 77 2HG LYS 77 -2.046 2.529 0.718 581 2HG LYS 77 1HG LYS 77 -3.183 1.923 -0.487 582 1HD LYS 77 2HD LYS 77 -4.641 1.069 1.313 583 2HD LYS 77 1HD LYS 77 -3.506 1.677 2.519 584 1HE LYS 77 2HE LYS 77 -3.826 3.987 1.407 585 2HE LYS 77 1HE LYS 77 -5.246 3.266 0.622 586 1HZ LYS 77 1HZ LYS 77 -5.730 4.283 2.826 587 2HZ LYS 77 2HZ LYS 77 -4.714 3.125 3.541 588 3HZ LYS 77 3HZ LYS 77 -6.126 2.637 2.732 589 H VAL 78 HN VAL 78 1.288 -0.266 0.586 590 HA VAL 78 HA VAL 78 1.897 -2.659 -0.787 591 HB VAL 78 HB VAL 78 2.684 -1.936 2.052 592 1HG1 VAL 78 1HG1 VAL 78 4.731 -2.986 0.264 593 2HG1 VAL 78 2HG1 VAL 78 3.353 -4.096 0.389 594 3HG1 VAL 78 3HG1 VAL 78 4.214 -3.585 1.844 595 1HG2 VAL 78 1HG2 VAL 78 4.668 -0.961 0.503 596 2HG2 VAL 78 2HG2 VAL 78 3.303 0.021 1.041 597 3HG2 VAL 78 3HG2 VAL 78 3.296 -0.696 -0.572 598 H GLY 79 HN GLY 79 1.714 -4.856 -0.159 599 1HA GLY 79 2HA GLY 79 0.835 -6.689 1.088 600 2HA GLY 79 1HA GLY 79 -0.025 -5.544 2.120 601 H ASP 80 HN ASP 80 -0.738 -4.211 -0.649 602 HA ASP 80 HA ASP 80 -3.233 -5.795 -1.047 603 1HB ASP 80 2HB ASP 80 -3.150 -3.288 -0.632 604 2HB ASP 80 1HB ASP 80 -2.385 -3.126 -2.209 605 H TRP 81 HN TRP 81 -3.884 -6.205 -3.338 606 HA TRP 81 HA TRP 81 -1.486 -6.611 -5.094 607 1HB TRP 81 2HB TRP 81 -4.096 -8.113 -4.785 608 2HB TRP 81 1HB TRP 81 -3.004 -8.387 -6.137 609 HD1 TRP 81 HD1 TRP 81 -2.279 -7.924 -2.357 610 HE1 TRP 81 HE1 TRP 81 -0.795 -9.876 -1.589 611 HE3 TRP 81 HE3 TRP 81 -2.012 -10.595 -6.704 612 HZ2 TRP 81 HZ2 TRP 81 0.348 -12.269 -2.661 613 HZ3 TRP 81 HZ3 TRP 81 -0.721 -12.710 -6.801 614 HH2 TRP 81 HH2 TRP 81 0.460 -13.547 -4.784 615 H VAL 82 HN VAL 82 -1.770 -6.128 -7.349 616 HA VAL 82 HA VAL 82 -4.071 -4.328 -7.989 617 HB VAL 82 HB VAL 82 -2.143 -2.961 -7.933 618 1HG1 VAL 82 1HG1 VAL 82 -0.306 -4.300 -7.551 619 2HG1 VAL 82 2HG1 VAL 82 -0.035 -3.927 -9.255 620 3HG1 VAL 82 3HG1 VAL 82 -0.772 -5.463 -8.794 621 1HG2 VAL 82 1HG2 VAL 82 -1.960 -2.209 -10.100 622 2HG2 VAL 82 2HG2 VAL 82 -3.310 -3.319 -10.337 623 3HG2 VAL 82 3HG2 VAL 82 -1.666 -3.830 -10.737 624 H ASN 83 HN ASN 83 -4.947 -4.545 -10.084 625 HA ASN 83 HA ASN 83 -4.594 -7.051 -11.556 626 1HB ASN 83 2HB ASN 83 -6.230 -4.614 -11.559 627 2HB ASN 83 1HB ASN 83 -5.817 -5.146 -13.181 628 1HD2 ASN 83 1HD2 ASN 83 -5.752 -8.000 -12.663 629 2HD2 ASN 83 2HD2 ASN 83 -7.338 -8.496 -12.324 630 H VAL 84 HN VAL 84 -2.446 -7.198 -12.358 631 HA VAL 84 HA VAL 84 -1.389 -4.769 -13.732 632 HB VAL 84 HB VAL 84 0.750 -6.361 -13.674 633 1HG1 VAL 84 1HG1 VAL 84 -0.275 -5.010 -11.170 634 2HG1 VAL 84 2HG1 VAL 84 0.308 -4.125 -12.583 635 3HG1 VAL 84 3HG1 VAL 84 1.403 -5.185 -11.692 636 1HG2 VAL 84 1HG2 VAL 84 -0.876 -7.298 -11.290 637 2HG2 VAL 84 2HG2 VAL 84 0.785 -7.753 -11.672 638 3HG2 VAL 84 3HG2 VAL 84 -0.536 -8.280 -12.716 639 H GLU 85 HN GLU 85 -0.946 -4.748 -15.848 640 HA GLU 85 HA GLU 85 -1.356 -7.290 -17.404 641 1HB GLU 85 2HB GLU 85 -3.389 -5.820 -17.241 642 2HB GLU 85 1HB GLU 85 -2.472 -4.540 -18.034 643 1HG GLU 85 2HG GLU 85 -2.141 -5.950 -20.004 644 2HG GLU 85 1HG GLU 85 -2.975 -7.288 -19.211 645 H ARG 86 HN ARG 86 0.064 -7.530 -19.130 646 HA ARG 86 HA ARG 86 2.429 -5.948 -19.301 647 1HB ARG 86 2HB ARG 86 2.162 -8.295 -20.052 648 2HB ARG 86 1HB ARG 86 1.087 -7.754 -21.342 649 1HG ARG 86 2HG ARG 86 2.910 -6.391 -22.294 650 2HG ARG 86 1HG ARG 86 3.988 -6.932 -21.008 651 1HD ARG 86 2HD ARG 86 3.617 -9.303 -21.768 652 2HD ARG 86 1HD ARG 86 2.705 -8.663 -23.149 653 HE ARG 86 HE ARG 86 5.175 -7.255 -22.993 654 1HH1 ARG 86 1HH1 ARG 86 3.902 -10.403 -23.646 655 2HH1 ARG 86 2HH1 ARG 86 5.194 -10.843 -24.711 656 1HH2 ARG 86 1HH2 ARG 86 6.862 -7.824 -24.381 657 2HH2 ARG 86 2HH2 ARG 86 6.867 -9.386 -25.126 658 H ALA 87 HN ALA 87 2.734 -3.974 -20.258 659 HA ALA 87 HA ALA 87 0.811 -3.116 -22.390 660 1HB ALA 87 1HB ALA 87 0.870 -2.166 -19.844 661 2HB ALA 87 2HB ALA 87 0.386 -1.184 -21.226 662 3HB ALA 87 3HB ALA 87 2.035 -1.081 -20.606 663 H ALA 88 HN ALA 88 1.738 -1.706 -23.991 664 HA ALA 88 HA ALA 88 4.732 -1.535 -24.018 665 1HB ALA 88 1HB ALA 88 2.848 -2.787 -26.040 666 2HB ALA 88 2HB ALA 88 4.080 -3.614 -25.086 667 3HB ALA 88 3HB ALA 88 4.556 -2.483 -26.352 668 H LYS 89 HN LYS 89 5.534 -0.016 -25.606 669 HA LYS 89 HA LYS 89 4.012 2.406 -25.943 670 1HB LYS 89 2HB LYS 89 6.484 1.283 -27.306 671 2HB LYS 89 1HB LYS 89 5.976 2.971 -27.378 672 1HG LYS 89 2HG LYS 89 6.606 3.399 -25.218 673 2HG LYS 89 1HG LYS 89 6.174 1.780 -24.665 674 1HD LYS 89 2HD LYS 89 8.185 0.838 -25.461 675 2HD LYS 89 1HD LYS 89 8.531 2.231 -26.491 676 1HE LYS 89 2HE LYS 89 8.845 3.637 -24.459 677 2HE LYS 89 1HE LYS 89 8.575 2.201 -23.451 678 1HZ LYS 89 1HZ LYS 89 10.672 2.513 -25.535 679 2HZ LYS 89 2HZ LYS 89 10.372 1.088 -24.660 680 3HZ LYS 89 3HZ LYS 89 10.930 2.479 -23.859 681 H PHE 90 HN PHE 90 4.749 -0.340 -28.095 682 HA PHE 90 HA PHE 90 2.413 0.311 -29.776 683 1HB PHE 90 2HB PHE 90 3.738 0.719 -31.759 684 2HB PHE 90 1HB PHE 90 4.355 1.767 -30.483 685 HD1 PHE 90 HD1 PHE 90 6.471 1.219 -29.307 686 HD2 PHE 90 HD2 PHE 90 5.046 -1.121 -32.620 687 HE1 PHE 90 HE1 PHE 90 8.716 0.185 -29.543 688 HE2 PHE 90 HE2 PHE 90 7.290 -2.156 -32.855 689 HZ PHE 90 HZ PHE 90 9.125 -1.503 -31.316 690 H SER 91 HN SER 91 2.054 -1.402 -31.407 691 HA SER 91 HA SER 91 3.573 -3.929 -30.854 692 1HB SER 91 2HB SER 91 0.589 -3.464 -31.129 693 2HB SER 91 1HB SER 91 1.329 -5.062 -31.097 694 HG SER 91 HG SER 91 0.978 -4.748 -29.013 695 H ASP 92 HN ASP 92 4.258 -4.932 -32.723 696 HA ASP 92 HA ASP 92 3.951 -3.778 -35.324 697 1HB ASP 92 2HB ASP 92 4.694 -6.537 -34.307 698 2HB ASP 92 1HB ASP 92 4.826 -6.071 -36.004 699 H GLU 93 HN GLU 93 2.171 -6.283 -33.588 700 HA GLU 93 HA GLU 93 -0.007 -7.245 -34.063 701 1HB GLU 93 2HB GLU 93 0.008 -4.495 -35.343 702 2HB GLU 93 1HB GLU 93 -1.457 -5.448 -35.098 703 1HG GLU 93 2HG GLU 93 -1.005 -5.513 -32.671 704 2HG GLU 93 1HG GLU 93 0.457 -4.557 -32.919 705 H ILE 94 HN ILE 94 1.747 -8.447 -35.742 706 HA ILE 94 HA ILE 94 1.382 -8.090 -38.553 707 HB ILE 94 HB ILE 94 1.938 -10.538 -36.844 708 1HG1 ILE 94 2HG1 ILE 94 3.564 -8.696 -36.578 709 2HG1 ILE 94 1HG1 ILE 94 4.292 -10.060 -37.429 710 1HG2 ILE 94 1HG2 ILE 94 1.370 -10.354 -39.623 711 2HG2 ILE 94 2HG2 ILE 94 1.964 -11.757 -38.733 712 3HG2 ILE 94 3HG2 ILE 94 3.105 -10.631 -39.468 713 1HD1 ILE 94 1HD1 ILE 94 4.796 -8.693 -39.140 714 2HD1 ILE 94 2HD1 ILE 94 3.987 -7.350 -38.332 715 3HD1 ILE 94 3HD1 ILE 94 3.073 -8.416 -39.398 716 H GLY 95 HN GLY 95 -0.418 -10.015 -36.154 717 1HA GLY 95 2HA GLY 95 -2.581 -10.925 -36.258 718 2HA GLY 95 1HA GLY 95 -2.885 -9.840 -37.616 719 H GLY 96 HN GLY 96 -2.130 -10.553 -39.760 720 1HA GLY 96 2HA GLY 96 -2.280 -13.518 -39.995 721 2HA GLY 96 1HA GLY 96 -2.616 -12.375 -41.297 722 H HIS 97 HN HIS 97 -0.970 -14.184 -42.176 723 HA HIS 97 HA HIS 97 1.847 -13.626 -41.556 724 1HB HIS 97 2HB HIS 97 0.577 -15.223 -43.802 725 2HB HIS 97 1HB HIS 97 2.230 -15.375 -43.204 726 HD1 HIS 97 HD1 HIS 97 1.653 -15.333 -40.161 727 HD2 HIS 97 HD2 HIS 97 -0.480 -17.644 -42.897 728 HE1 HIS 97 HE1 HIS 97 0.632 -17.242 -38.845 729 1H MET 1 1HT MET 1 -1.195 1.574 -30.558 730 2H MET 1 2HT MET 1 0.429 2.007 -30.800 731 3H MET 1 3HT MET 1 -0.806 2.848 -31.609 732 HA MET 1 HA MET 1 0.356 3.671 -29.308 733 1HB MET 1 2HB MET 1 -1.509 5.272 -29.348 734 2HB MET 1 1HB MET 1 -1.009 4.898 -30.997 735 1HG MET 1 2HG MET 1 -2.832 3.243 -31.178 736 2HG MET 1 1HG MET 1 -3.336 3.621 -29.531 737 1HE MET 1 1HE MET 1 -3.599 6.200 -33.290 738 2HE MET 1 2HE MET 1 -2.757 4.671 -33.042 739 3HE MET 1 3HE MET 1 -2.057 6.165 -32.422 740 H PHE 2 HN PHE 2 -0.499 3.955 -27.116 741 HA PHE 2 HA PHE 2 -2.851 2.531 -26.234 742 1HB PHE 2 2HB PHE 2 -1.880 0.685 -25.197 743 2HB PHE 2 1HB PHE 2 -0.862 0.828 -26.627 744 HD1 PHE 2 HD1 PHE 2 0.986 2.958 -26.069 745 HD2 PHE 2 HD2 PHE 2 -0.611 0.023 -23.364 746 HE1 PHE 2 HE1 PHE 2 2.960 3.246 -24.588 747 HE2 PHE 2 HE2 PHE 2 1.362 0.310 -21.888 748 HZ PHE 2 HZ PHE 2 3.146 1.920 -22.496 749 H THR 3 HN THR 3 -3.491 3.404 -24.253 750 HA THR 3 HA THR 3 -1.522 5.202 -22.888 751 HB THR 3 HB THR 3 -3.131 6.977 -23.022 752 HG1 THR 3 HG1 THR 3 -4.884 4.869 -23.668 753 1HG2 THR 3 1HG2 THR 3 -2.053 5.901 -25.274 754 2HG2 THR 3 2HG2 THR 3 -3.040 7.364 -25.266 755 3HG2 THR 3 3HG2 THR 3 -3.772 5.812 -25.667 756 H GLY 4 HN GLY 4 -4.480 3.269 -22.696 757 1HA GLY 4 2HA GLY 4 -5.746 2.587 -20.834 758 2HA GLY 4 1HA GLY 4 -4.175 2.384 -20.054 759 H ILE 5 HN ILE 5 -5.099 5.539 -21.237 760 HA ILE 5 HA ILE 5 -4.884 6.582 -18.485 761 HB ILE 5 HB ILE 5 -5.375 7.971 -21.143 762 1HG1 ILE 5 2HG1 ILE 5 -2.810 7.281 -19.679 763 2HG1 ILE 5 1HG1 ILE 5 -3.330 6.658 -21.240 764 1HG2 ILE 5 1HG2 ILE 5 -5.337 8.936 -18.476 765 2HG2 ILE 5 2HG2 ILE 5 -5.350 9.886 -19.964 766 3HG2 ILE 5 3HG2 ILE 5 -3.813 9.433 -19.220 767 1HD1 ILE 5 1HD1 ILE 5 -2.243 8.389 -22.195 768 2HD1 ILE 5 2HD1 ILE 5 -1.976 9.151 -20.630 769 3HD1 ILE 5 3HD1 ILE 5 -3.477 9.442 -21.506 770 H VAL 6 HN VAL 6 -6.587 7.328 -17.260 771 HA VAL 6 HA VAL 6 -9.294 6.644 -18.156 772 HB VAL 6 HB VAL 6 -7.873 7.410 -15.635 773 1HG1 VAL 6 1HG1 VAL 6 -10.844 7.687 -16.115 774 2HG1 VAL 6 2HG1 VAL 6 -9.753 8.852 -15.367 775 3HG1 VAL 6 3HG1 VAL 6 -10.187 7.373 -14.510 776 1HG2 VAL 6 1HG2 VAL 6 -9.879 5.406 -15.365 777 2HG2 VAL 6 2HG2 VAL 6 -8.127 5.196 -15.343 778 3HG2 VAL 6 3HG2 VAL 6 -9.011 5.094 -16.866 779 H GLN 7 HN GLN 7 -10.978 8.076 -18.509 780 HA GLN 7 HA GLN 7 -10.374 10.782 -19.333 781 1HB GLN 7 2HB GLN 7 -12.907 9.200 -18.837 782 2HB GLN 7 1HB GLN 7 -12.914 10.838 -19.492 783 1HG GLN 7 2HG GLN 7 -11.632 10.152 -21.416 784 2HG GLN 7 1HG GLN 7 -11.354 8.553 -20.725 785 1HE2 GLN 7 1HE2 GLN 7 -12.773 9.260 -23.287 786 2HE2 GLN 7 2HE2 GLN 7 -14.327 8.593 -23.138 787 H GLY 8 HN GLY 8 -11.676 9.333 -16.341 788 1HA GLY 8 2HA GLY 8 -11.293 11.877 -14.921 789 2HA GLY 8 1HA GLY 8 -12.985 11.470 -15.197 790 H THR 9 HN THR 9 -12.427 11.627 -12.624 791 HA THR 9 HA THR 9 -11.813 8.839 -11.710 792 HB THR 9 HB THR 9 -11.342 10.200 -9.527 793 HG1 THR 9 HG1 THR 9 -11.744 12.229 -9.790 794 1HG2 THR 9 1HG2 THR 9 -9.295 9.559 -10.205 795 2HG2 THR 9 2HG2 THR 9 -9.182 11.078 -11.093 796 3HG2 THR 9 3HG2 THR 9 -9.782 9.630 -11.899 797 H ALA 10 HN ALA 10 -12.932 8.264 -9.633 798 HA ALA 10 HA ALA 10 -15.704 9.411 -9.440 799 1HB ALA 10 1HB ALA 10 -15.928 6.665 -9.076 800 2HB ALA 10 2HB ALA 10 -14.730 6.792 -10.367 801 3HB ALA 10 3HB ALA 10 -16.325 7.528 -10.562 802 H LYS 11 HN LYS 11 -16.586 9.223 -7.323 803 HA LYS 11 HA LYS 11 -14.569 8.485 -5.233 804 1HB LYS 11 2HB LYS 11 -15.315 10.808 -5.266 805 2HB LYS 11 1HB LYS 11 -16.997 10.290 -5.220 806 1HG LYS 11 2HG LYS 11 -16.660 9.262 -3.027 807 2HG LYS 11 1HG LYS 11 -14.951 9.694 -3.069 808 1HD LYS 11 2HD LYS 11 -15.361 11.835 -2.464 809 2HD LYS 11 1HD LYS 11 -16.740 11.970 -3.557 810 1HE LYS 11 2HE LYS 11 -18.119 10.660 -1.930 811 2HE LYS 11 1HE LYS 11 -16.741 10.668 -0.811 812 1HZ LYS 11 1HZ LYS 11 -18.044 12.554 -0.274 813 2HZ LYS 11 2HZ LYS 11 -18.200 13.009 -1.904 814 3HZ LYS 11 3HZ LYS 11 -16.697 13.140 -1.121 815 H LEU 12 HN LEU 12 -14.977 6.490 -4.367 816 HA LEU 12 HA LEU 12 -17.467 5.061 -4.464 817 1HB LEU 12 2HB LEU 12 -14.981 4.394 -3.852 818 2HB LEU 12 1HB LEU 12 -15.462 4.852 -2.232 819 HG LEU 12 HG LEU 12 -17.257 3.226 -2.235 820 1HD1 LEU 12 1HD1 LEU 12 -17.035 1.678 -4.477 821 2HD1 LEU 12 2HD1 LEU 12 -16.708 3.278 -5.141 822 3HD1 LEU 12 3HD1 LEU 12 -18.220 2.970 -4.287 823 1HD2 LEU 12 1HD2 LEU 12 -15.699 1.705 -1.639 824 2HD2 LEU 12 2HD2 LEU 12 -14.483 2.552 -2.596 825 3HD2 LEU 12 3HD2 LEU 12 -15.473 1.296 -3.338 826 H VAL 13 HN VAL 13 -19.292 5.470 -3.325 827 HA VAL 13 HA VAL 13 -19.055 7.122 -0.840 828 HB VAL 13 HB VAL 13 -19.994 8.512 -2.482 829 1HG1 VAL 13 1HG1 VAL 13 -20.555 7.481 -4.408 830 2HG1 VAL 13 2HG1 VAL 13 -22.159 7.338 -3.682 831 3HG1 VAL 13 3HG1 VAL 13 -21.023 5.995 -3.577 832 1HG2 VAL 13 1HG2 VAL 13 -21.597 7.596 -0.379 833 2HG2 VAL 13 2HG2 VAL 13 -22.667 7.634 -1.781 834 3HG2 VAL 13 3HG2 VAL 13 -21.812 9.096 -1.284 835 H SER 14 HN SER 14 -20.671 4.496 -2.521 836 HA SER 14 HA SER 14 -21.618 3.475 0.123 837 1HB SER 14 2HB SER 14 -23.183 4.935 -1.631 838 2HB SER 14 1HB SER 14 -23.605 3.270 -2.016 839 HG SER 14 HG SER 14 -24.540 3.087 -0.136 840 H ILE 15 HN ILE 15 -21.751 1.227 0.214 841 HA ILE 15 HA ILE 15 -21.097 -0.281 -2.300 842 HB ILE 15 HB ILE 15 -20.876 -1.185 0.586 843 1HG1 ILE 15 2HG1 ILE 15 -18.877 0.119 -1.269 844 2HG1 ILE 15 1HG1 ILE 15 -19.366 0.632 0.340 845 1HG2 ILE 15 1HG2 ILE 15 -20.366 -3.189 -0.310 846 2HG2 ILE 15 2HG2 ILE 15 -19.094 -2.459 -1.293 847 3HG2 ILE 15 3HG2 ILE 15 -20.748 -2.543 -1.905 848 1HD1 ILE 15 1HD1 ILE 15 -18.402 -2.066 0.494 849 2HD1 ILE 15 2HD1 ILE 15 -17.752 -0.622 1.269 850 3HD1 ILE 15 3HD1 ILE 15 -17.207 -1.076 -0.346 851 H ASP 16 HN ASP 16 -22.698 -1.543 -3.102 852 HA ASP 16 HA ASP 16 -25.048 -2.179 -1.351 853 1HB ASP 16 2HB ASP 16 -24.592 -1.829 -4.305 854 2HB ASP 16 1HB ASP 16 -25.985 -2.744 -3.726 855 H GLU 17 HN GLU 17 -24.787 -4.218 -0.483 856 HA GLU 17 HA GLU 17 -23.284 -6.240 -2.088 857 1HB GLU 17 2HB GLU 17 -23.916 -5.862 0.843 858 2HB GLU 17 1HB GLU 17 -23.221 -7.362 0.225 859 1HG GLU 17 2HG GLU 17 -21.331 -6.089 -0.734 860 2HG GLU 17 1HG GLU 17 -22.019 -4.596 -0.094 861 H LYS 18 HN LYS 18 -24.694 -7.430 -3.304 862 HA LYS 18 HA LYS 18 -27.195 -8.459 -2.010 863 1HB LYS 18 2HB LYS 18 -26.479 -8.802 -4.915 864 2HB LYS 18 1HB LYS 18 -28.073 -8.653 -4.181 865 1HG LYS 18 2HG LYS 18 -26.946 -6.237 -3.531 866 2HG LYS 18 1HG LYS 18 -26.228 -6.549 -5.112 867 1HD LYS 18 2HD LYS 18 -29.161 -7.032 -4.781 868 2HD LYS 18 1HD LYS 18 -28.601 -5.364 -4.897 869 1HE LYS 18 2HE LYS 18 -28.251 -5.570 -7.128 870 2HE LYS 18 1HE LYS 18 -27.309 -7.056 -6.894 871 1HZ LYS 18 1HZ LYS 18 -29.618 -8.053 -6.324 872 2HZ LYS 18 2HZ LYS 18 -29.173 -7.859 -7.953 873 3HZ LYS 18 3HZ LYS 18 -30.218 -6.741 -7.215 874 HA PRO 19 HA PRO 19 -24.927 -12.196 -1.274 875 1HB PRO 19 2HB PRO 19 -27.232 -13.831 -1.414 876 2HB PRO 19 1HB PRO 19 -26.544 -13.105 0.050 877 1HG PRO 19 2HG PRO 19 -28.812 -12.192 -1.625 878 2HG PRO 19 1HG PRO 19 -28.554 -12.030 0.119 879 1HD PRO 19 2HD PRO 19 -28.269 -9.944 -1.544 880 2HD PRO 19 1HD PRO 19 -27.223 -10.148 -0.118 881 H ASN 20 HN ASN 20 -27.313 -11.878 -3.875 882 HA ASN 20 HA ASN 20 -26.317 -14.111 -5.461 883 1HB ASN 20 2HB ASN 20 -27.763 -11.616 -6.387 884 2HB ASN 20 1HB ASN 20 -27.832 -13.229 -7.098 885 1HD2 ASN 20 1HD2 ASN 20 -29.141 -11.170 -4.595 886 2HD2 ASN 20 2HD2 ASN 20 -30.238 -12.298 -3.964 887 H PHE 21 HN PHE 21 -25.730 -10.599 -5.368 888 HA PHE 21 HA PHE 21 -23.131 -10.995 -6.746 889 1HB PHE 21 2HB PHE 21 -25.376 -9.233 -7.787 890 2HB PHE 21 1HB PHE 21 -23.758 -9.333 -8.479 891 HD1 PHE 21 HD1 PHE 21 -23.014 -11.324 -9.692 892 HD2 PHE 21 HD2 PHE 21 -26.962 -11.087 -8.005 893 HE1 PHE 21 HE1 PHE 21 -23.707 -13.296 -11.033 894 HE2 PHE 21 HE2 PHE 21 -27.653 -13.058 -9.345 895 HZ PHE 21 HZ PHE 21 -26.026 -14.163 -10.858 896 H ARG 22 HN ARG 22 -21.685 -9.203 -6.347 897 HA ARG 22 HA ARG 22 -22.559 -7.403 -4.152 898 1HB ARG 22 2HB ARG 22 -20.450 -8.659 -3.958 899 2HB ARG 22 1HB ARG 22 -19.866 -7.910 -5.440 900 1HG ARG 22 2HG ARG 22 -20.023 -5.687 -4.390 901 2HG ARG 22 1HG ARG 22 -20.606 -6.433 -2.902 902 1HD ARG 22 2HD ARG 22 -18.490 -7.704 -2.703 903 2HD ARG 22 1HD ARG 22 -17.898 -6.937 -4.190 904 HE ARG 22 HE ARG 22 -18.655 -4.776 -2.679 905 1HH1 ARG 22 1HH1 ARG 22 -16.728 -7.582 -2.075 906 2HH1 ARG 22 2HH1 ARG 22 -15.714 -6.790 -0.916 907 1HH2 ARG 22 1HH2 ARG 22 -17.338 -3.740 -1.168 908 2HH2 ARG 22 2HH2 ARG 22 -16.058 -4.621 -0.402 909 H THR 23 HN THR 23 -22.589 -5.174 -4.377 910 HA THR 23 HA THR 23 -22.234 -4.091 -7.153 911 HB THR 23 HB THR 23 -24.375 -3.479 -5.091 912 HG1 THR 23 HG1 THR 23 -25.696 -4.692 -6.456 913 1HG2 THR 23 1HG2 THR 23 -25.302 -2.006 -6.626 914 2HG2 THR 23 2HG2 THR 23 -24.554 -2.809 -8.006 915 3HG2 THR 23 3HG2 THR 23 -23.585 -1.773 -6.956 916 H HIS 24 HN HIS 24 -21.257 -2.043 -7.244 917 HA HIS 24 HA HIS 24 -20.724 -0.689 -4.622 918 1HB HIS 24 2HB HIS 24 -18.938 -1.773 -6.638 919 2HB HIS 24 1HB HIS 24 -18.641 -0.058 -6.356 920 HD1 HIS 24 HD1 HIS 24 -17.315 -3.031 -5.183 921 HD2 HIS 24 HD2 HIS 24 -19.046 0.179 -3.168 922 HE1 HIS 24 HE1 HIS 24 -16.507 -3.152 -2.781 923 H VAL 25 HN VAL 25 -20.886 1.573 -4.654 924 HA VAL 25 HA VAL 25 -21.747 2.777 -7.260 925 HB VAL 25 HB VAL 25 -22.664 3.593 -4.511 926 1HG1 VAL 25 1HG1 VAL 25 -24.584 4.499 -5.794 927 2HG1 VAL 25 2HG1 VAL 25 -23.826 3.942 -7.287 928 3HG1 VAL 25 3HG1 VAL 25 -23.053 5.198 -6.319 929 1HG2 VAL 25 1HG2 VAL 25 -24.776 2.234 -5.251 930 2HG2 VAL 25 2HG2 VAL 25 -23.410 1.368 -4.549 931 3HG2 VAL 25 3HG2 VAL 25 -23.642 1.379 -6.297 932 H VAL 26 HN VAL 26 -20.671 4.593 -7.853 933 HA VAL 26 HA VAL 26 -18.845 5.875 -5.847 934 HB VAL 26 HB VAL 26 -17.428 6.339 -7.836 935 1HG1 VAL 26 1HG1 VAL 26 -16.708 4.350 -6.894 936 2HG1 VAL 26 2HG1 VAL 26 -17.188 3.770 -8.487 937 3HG1 VAL 26 3HG1 VAL 26 -18.270 3.561 -7.111 938 1HG2 VAL 26 1HG2 VAL 26 -19.427 4.648 -9.363 939 2HG2 VAL 26 2HG2 VAL 26 -18.028 5.503 -10.013 940 3HG2 VAL 26 3HG2 VAL 26 -19.415 6.411 -9.414 941 H GLU 27 HN GLU 27 -18.323 8.216 -6.558 942 HA GLU 27 HA GLU 27 -20.867 9.623 -7.211 943 1HB GLU 27 2HB GLU 27 -19.122 9.838 -5.162 944 2HB GLU 27 1HB GLU 27 -18.371 10.948 -6.303 945 1HG GLU 27 2HG GLU 27 -20.305 12.327 -6.400 946 2HG GLU 27 1HG GLU 27 -21.303 11.111 -5.606 947 H LEU 28 HN LEU 28 -21.037 10.221 -9.301 948 HA LEU 28 HA LEU 28 -18.734 10.262 -11.080 949 1HB LEU 28 2HB LEU 28 -21.299 9.592 -11.321 950 2HB LEU 28 1HB LEU 28 -21.465 11.285 -11.770 951 HG LEU 28 HG LEU 28 -19.926 11.030 -13.604 952 1HD1 LEU 28 1HD1 LEU 28 -19.296 8.336 -13.788 953 2HD1 LEU 28 2HD1 LEU 28 -19.113 8.671 -12.067 954 3HD1 LEU 28 3HD1 LEU 28 -18.198 9.607 -13.248 955 1HD2 LEU 28 1HD2 LEU 28 -21.579 10.113 -14.840 956 2HD2 LEU 28 2HD2 LEU 28 -22.330 9.536 -13.355 957 3HD2 LEU 28 3HD2 LEU 28 -21.184 8.513 -14.219 958 HA PRO 29 HA PRO 29 -17.905 14.575 -10.209 959 1HB PRO 29 2HB PRO 29 -15.951 14.841 -12.124 960 2HB PRO 29 1HB PRO 29 -15.671 14.178 -10.504 961 1HG PRO 29 2HG PRO 29 -16.027 12.763 -13.091 962 2HG PRO 29 1HG PRO 29 -14.980 12.370 -11.720 963 1HD PRO 29 2HD PRO 29 -17.308 11.072 -12.224 964 2HD PRO 29 1HD PRO 29 -16.648 11.278 -10.588 965 H ASP 30 HN ASP 30 -17.553 16.555 -11.804 966 HA ASP 30 HA ASP 30 -19.989 16.901 -13.214 967 1HB ASP 30 2HB ASP 30 -17.332 18.353 -13.221 968 2HB ASP 30 1HB ASP 30 -18.771 18.985 -14.024 969 H HIS 31 HN HIS 31 -16.717 16.142 -14.451 970 HA HIS 31 HA HIS 31 -17.724 16.263 -17.213 971 1HB HIS 31 2HB HIS 31 -15.343 15.903 -17.766 972 2HB HIS 31 1HB HIS 31 -15.541 17.199 -16.593 973 HD1 HIS 31 HD1 HIS 31 -16.109 14.398 -14.570 974 HD2 HIS 31 HD2 HIS 31 -12.666 15.916 -16.360 975 HE1 HIS 31 HE1 HIS 31 -14.148 13.446 -13.283 976 H MET 32 HN MET 32 -17.894 13.934 -14.896 977 HA MET 32 HA MET 32 -17.799 11.756 -16.957 978 1HB MET 32 2HB MET 32 -17.432 11.743 -13.950 979 2HB MET 32 1HB MET 32 -17.615 10.270 -14.902 980 1HG MET 32 2HG MET 32 -15.452 12.361 -15.289 981 2HG MET 32 1HG MET 32 -15.231 10.782 -14.533 982 1HE MET 32 1HE MET 32 -15.063 8.241 -16.823 983 2HE MET 32 2HE MET 32 -16.796 8.555 -16.808 984 3HE MET 32 3HE MET 32 -15.852 8.799 -15.341 985 H LEU 33 HN LEU 33 -19.749 13.674 -14.886 986 HA LEU 33 HA LEU 33 -21.975 11.883 -14.448 987 1HB LEU 33 2HB LEU 33 -21.467 14.845 -14.455 988 2HB LEU 33 1HB LEU 33 -23.123 14.256 -14.336 989 HG LEU 33 HG LEU 33 -20.978 13.153 -12.524 990 1HD1 LEU 33 1HD1 LEU 33 -22.756 15.364 -11.590 991 2HD1 LEU 33 2HD1 LEU 33 -21.353 15.805 -12.560 992 3HD1 LEU 33 3HD1 LEU 33 -21.137 14.926 -11.049 993 1HD2 LEU 33 1HD2 LEU 33 -22.807 12.459 -11.208 994 2HD2 LEU 33 2HD2 LEU 33 -23.372 12.196 -12.858 995 3HD2 LEU 33 3HD2 LEU 33 -23.903 13.617 -11.959 996 H ASP 34 HN ASP 34 -21.123 14.188 -17.002 997 HA ASP 34 HA ASP 34 -23.610 13.870 -18.466 998 1HB ASP 34 2HB ASP 34 -20.899 15.113 -18.895 999 2HB ASP 34 1HB ASP 34 -22.088 15.089 -20.202 1000 H GLY 35 HN GLY 35 -24.078 12.336 -20.004 1001 1HA GLY 35 2HA GLY 35 -23.511 11.034 -21.946 1002 2HA GLY 35 1HA GLY 35 -21.834 11.000 -21.405 1003 H LEU 36 HN LEU 36 -22.204 10.085 -18.757 1004 HA LEU 36 HA LEU 36 -22.323 7.266 -19.264 1005 1HB LEU 36 2HB LEU 36 -21.056 8.668 -17.492 1006 2HB LEU 36 1HB LEU 36 -22.552 8.590 -16.560 1007 HG LEU 36 HG LEU 36 -21.440 6.052 -17.701 1008 1HD1 LEU 36 1HD1 LEU 36 -19.539 6.167 -16.505 1009 2HD1 LEU 36 2HD1 LEU 36 -20.494 6.342 -15.033 1010 3HD1 LEU 36 3HD1 LEU 36 -19.981 7.774 -15.927 1011 1HD2 LEU 36 1HD2 LEU 36 -23.431 5.605 -16.612 1012 2HD2 LEU 36 2HD2 LEU 36 -23.231 6.941 -15.477 1013 3HD2 LEU 36 3HD2 LEU 36 -22.320 5.448 -15.251 1014 H GLU 37 HN GLU 37 -23.905 5.741 -18.717 1015 HA GLU 37 HA GLU 37 -26.453 6.640 -17.486 1016 1HB GLU 37 2HB GLU 37 -27.701 5.765 -19.453 1017 2HB GLU 37 1HB GLU 37 -26.628 7.089 -19.909 1018 1HG GLU 37 2HG GLU 37 -24.927 5.461 -20.647 1019 2HG GLU 37 1HG GLU 37 -26.000 4.136 -20.196 1020 H THR 38 HN THR 38 -27.890 4.631 -17.117 1021 HA THR 38 HA THR 38 -26.327 2.558 -15.888 1022 HB THR 38 HB THR 38 -28.878 1.569 -16.200 1023 HG1 THR 38 HG1 THR 38 -30.187 3.439 -15.951 1024 1HG2 THR 38 1HG2 THR 38 -28.088 1.630 -14.035 1025 2HG2 THR 38 2HG2 THR 38 -29.218 2.982 -13.987 1026 3HG2 THR 38 3HG2 THR 38 -27.493 3.280 -14.192 1027 H GLY 39 HN GLY 39 -26.044 0.362 -16.556 1028 1HA GLY 39 2HA GLY 39 -25.873 -1.423 -18.108 1029 2HA GLY 39 1HA GLY 39 -26.876 -0.514 -19.232 1030 H ALA 40 HN ALA 40 -24.674 1.677 -18.235 1031 HA ALA 40 HA ALA 40 -23.000 1.463 -20.629 1032 1HB ALA 40 1HB ALA 40 -21.938 3.465 -19.497 1033 2HB ALA 40 2HB ALA 40 -23.037 3.202 -18.140 1034 3HB ALA 40 3HB ALA 40 -23.681 3.621 -19.730 1035 H SER 41 HN SER 41 -20.597 1.214 -20.423 1036 HA SER 41 HA SER 41 -19.905 -0.550 -18.112 1037 1HB SER 41 2HB SER 41 -17.875 -0.891 -19.817 1038 2HB SER 41 1HB SER 41 -19.401 -1.737 -20.027 1039 HG SER 41 HG SER 41 -19.278 -0.799 -21.923 1040 H VAL 42 HN VAL 42 -18.840 0.484 -16.514 1041 HA VAL 42 HA VAL 42 -17.167 2.877 -17.155 1042 HB VAL 42 HB VAL 42 -18.814 1.889 -14.903 1043 1HG1 VAL 42 1HG1 VAL 42 -16.031 2.842 -14.454 1044 2HG1 VAL 42 2HG1 VAL 42 -17.011 1.736 -13.492 1045 3HG1 VAL 42 3HG1 VAL 42 -17.292 3.474 -13.395 1046 1HG2 VAL 42 1HG2 VAL 42 -17.888 4.677 -15.046 1047 2HG2 VAL 42 2HG2 VAL 42 -19.530 4.046 -14.906 1048 3HG2 VAL 42 3HG2 VAL 42 -18.738 4.104 -16.482 1049 H ALA 43 HN ALA 43 -15.017 2.458 -17.407 1050 HA ALA 43 HA ALA 43 -13.825 -0.023 -16.344 1051 1HB ALA 43 1HB ALA 43 -12.915 2.338 -17.989 1052 2HB ALA 43 2HB ALA 43 -13.031 0.646 -18.472 1053 3HB ALA 43 3HB ALA 43 -11.757 1.162 -17.368 1054 H HIS 44 HN HIS 44 -13.228 -0.043 -14.227 1055 HA HIS 44 HA HIS 44 -12.620 2.486 -12.810 1056 1HB HIS 44 2HB HIS 44 -13.120 -0.396 -12.146 1057 2HB HIS 44 1HB HIS 44 -12.200 0.568 -10.991 1058 HD1 HIS 44 HD1 HIS 44 -15.176 1.714 -13.112 1059 HD2 HIS 44 HD2 HIS 44 -14.125 1.160 -9.104 1060 HE1 HIS 44 HE1 HIS 44 -17.100 2.613 -11.720 1061 HE2 HIS 44 HE2 HIS 44 -16.461 2.282 -9.298 1062 H ASN 45 HN ASN 45 -10.666 3.204 -13.461 1063 HA ASN 45 HA ASN 45 -8.375 3.293 -13.921 1064 1HB ASN 45 2HB ASN 45 -8.604 2.073 -11.558 1065 2HB ASN 45 1HB ASN 45 -7.958 0.716 -12.481 1066 1HD2 ASN 45 1HD2 ASN 45 -7.156 3.744 -11.003 1067 2HD2 ASN 45 2HD2 ASN 45 -5.551 3.833 -11.533 1068 H GLY 46 HN GLY 46 -10.433 1.232 -15.310 1069 1HA GLY 46 2HA GLY 46 -9.653 0.731 -17.647 1070 2HA GLY 46 1HA GLY 46 -8.271 -0.067 -16.905 1071 H CYS 47 HN CYS 47 -10.703 -0.893 -14.861 1072 HA CYS 47 HA CYS 47 -11.195 -3.452 -16.309 1073 1HB CYS 47 2HB CYS 47 -10.431 -3.375 -13.903 1074 2HB CYS 47 1HB CYS 47 -11.952 -2.580 -13.498 1075 HG CYS 47 HG CYS 47 -12.038 -5.292 -13.269 1076 H CYS 48 HN CYS 48 -12.870 -3.085 -17.788 1077 HA CYS 48 HA CYS 48 -14.961 -1.164 -17.336 1078 1HB CYS 48 2HB CYS 48 -15.910 -2.268 -19.397 1079 2HB CYS 48 1HB CYS 48 -14.225 -1.784 -19.567 1080 HG CYS 48 HG CYS 48 -13.514 -4.270 -19.249 1081 H LEU 49 HN LEU 49 -16.700 -1.406 -16.044 1082 HA LEU 49 HA LEU 49 -17.996 -4.088 -15.892 1083 1HB LEU 49 2HB LEU 49 -18.515 -3.361 -13.447 1084 2HB LEU 49 1HB LEU 49 -16.886 -3.930 -13.805 1085 HG LEU 49 HG LEU 49 -17.245 -1.048 -14.260 1086 1HD1 LEU 49 1HD1 LEU 49 -18.481 -2.118 -11.971 1087 2HD1 LEU 49 2HD1 LEU 49 -18.083 -0.424 -12.261 1088 3HD1 LEU 49 3HD1 LEU 49 -16.945 -1.463 -11.405 1089 1HD2 LEU 49 1HD2 LEU 49 -15.034 -1.012 -13.616 1090 2HD2 LEU 49 2HD2 LEU 49 -15.142 -2.738 -13.955 1091 3HD2 LEU 49 3HD2 LEU 49 -15.298 -2.155 -12.300 1092 H THR 50 HN THR 50 -20.363 -3.869 -15.408 1093 HA THR 50 HA THR 50 -21.334 -1.519 -16.904 1094 HB THR 50 HB THR 50 -22.754 -4.044 -16.003 1095 HG1 THR 50 HG1 THR 50 -21.775 -3.595 -18.584 1096 1HG2 THR 50 1HG2 THR 50 -23.367 -2.038 -18.198 1097 2HG2 THR 50 2HG2 THR 50 -24.266 -2.221 -16.693 1098 3HG2 THR 50 3HG2 THR 50 -24.272 -3.518 -17.887 1099 H VAL 51 HN VAL 51 -23.121 -0.239 -16.253 1100 HA VAL 51 HA VAL 51 -23.243 0.333 -13.387 1101 HB VAL 51 HB VAL 51 -24.852 1.445 -15.711 1102 1HG1 VAL 51 1HG1 VAL 51 -25.802 2.517 -13.946 1103 2HG1 VAL 51 2HG1 VAL 51 -24.341 3.503 -14.009 1104 3HG1 VAL 51 3HG1 VAL 51 -24.451 2.157 -12.873 1105 1HG2 VAL 51 1HG2 VAL 51 -22.004 1.608 -15.092 1106 2HG2 VAL 51 2HG2 VAL 51 -22.770 3.196 -15.167 1107 3HG2 VAL 51 3HG2 VAL 51 -22.871 2.101 -16.547 1108 H THR 52 HN THR 52 -24.554 -0.906 -12.097 1109 HA THR 52 HA THR 52 -26.886 -2.373 -13.037 1110 HB THR 52 HB THR 52 -27.129 -2.865 -10.674 1111 HG1 THR 52 HG1 THR 52 -25.378 -0.664 -10.335 1112 1HG2 THR 52 1HG2 THR 52 -25.342 -4.135 -11.365 1113 2HG2 THR 52 2HG2 THR 52 -24.561 -3.191 -10.095 1114 3HG2 THR 52 3HG2 THR 52 -24.354 -2.738 -11.786 1115 H GLU 53 HN GLU 53 -26.322 0.708 -11.350 1116 HA GLU 53 HA GLU 53 -28.884 1.766 -12.326 1117 1HB GLU 53 2HB GLU 53 -29.520 0.385 -10.376 1118 2HB GLU 53 1HB GLU 53 -28.358 1.261 -9.378 1119 1HG GLU 53 2HG GLU 53 -29.579 3.365 -9.789 1120 2HG GLU 53 1HG GLU 53 -30.745 2.493 -10.787 1121 H ILE 54 HN ILE 54 -29.014 4.086 -11.934 1122 HA ILE 54 HA ILE 54 -26.407 5.325 -11.089 1123 HB ILE 54 HB ILE 54 -28.725 6.236 -12.832 1124 1HG1 ILE 54 2HG1 ILE 54 -25.922 6.316 -13.759 1125 2HG1 ILE 54 1HG1 ILE 54 -26.548 4.700 -13.446 1126 1HG2 ILE 54 1HG2 ILE 54 -26.207 7.799 -12.220 1127 2HG2 ILE 54 2HG2 ILE 54 -27.709 8.046 -11.329 1128 3HG2 ILE 54 3HG2 ILE 54 -27.651 8.360 -13.063 1129 1HD1 ILE 54 1HD1 ILE 54 -28.338 6.540 -14.949 1130 2HD1 ILE 54 2HD1 ILE 54 -28.072 4.808 -15.165 1131 3HD1 ILE 54 3HD1 ILE 54 -26.906 5.967 -15.803 1132 H ASN 55 HN ASN 55 -26.403 6.389 -9.202 1133 HA ASN 55 HA ASN 55 -29.007 6.811 -7.803 1134 1HB ASN 55 2HB ASN 55 -26.134 6.395 -7.067 1135 2HB ASN 55 1HB ASN 55 -27.161 7.268 -5.928 1136 1HD2 ASN 55 1HD2 ASN 55 -27.501 4.335 -8.024 1137 2HD2 ASN 55 2HD2 ASN 55 -28.220 3.383 -6.816 1138 H GLY 56 HN GLY 56 -29.014 8.667 -9.616 1139 1HA GLY 56 2HA GLY 56 -29.077 11.021 -9.895 1140 2HA GLY 56 1HA GLY 56 -28.359 11.200 -8.290 1141 H ASN 57 HN ASN 57 -26.329 12.036 -8.364 1142 HA ASN 57 HA ASN 57 -24.728 11.994 -10.794 1143 1HB ASN 57 2HB ASN 57 -23.610 13.620 -9.664 1144 2HB ASN 57 1HB ASN 57 -24.882 13.472 -8.473 1145 1HD2 ASN 57 1HD2 ASN 57 -21.837 11.864 -9.340 1146 2HD2 ASN 57 2HD2 ASN 57 -21.319 11.586 -7.749 1147 H HIS 58 HN HIS 58 -25.218 9.894 -8.102 1148 HA HIS 58 HA HIS 58 -22.641 8.558 -8.132 1149 1HB HIS 58 2HB HIS 58 -25.377 8.095 -6.978 1150 2HB HIS 58 1HB HIS 58 -24.147 6.842 -6.850 1151 HD1 HIS 58 HD1 HIS 58 -25.438 9.256 -4.769 1152 HD2 HIS 58 HD2 HIS 58 -21.514 8.495 -5.968 1153 HE1 HIS 58 HE1 HIS 58 -23.930 10.290 -3.019 1154 H VAL 59 HN VAL 59 -22.362 6.278 -8.753 1155 HA VAL 59 HA VAL 59 -24.468 5.185 -10.527 1156 HB VAL 59 HB VAL 59 -21.568 5.643 -11.241 1157 1HG1 VAL 59 1HG1 VAL 59 -21.792 3.541 -12.159 1158 2HG1 VAL 59 2HG1 VAL 59 -22.579 4.470 -13.437 1159 3HG1 VAL 59 3HG1 VAL 59 -23.550 3.650 -12.215 1160 1HG2 VAL 59 1HG2 VAL 59 -24.172 6.827 -11.867 1161 2HG2 VAL 59 2HG2 VAL 59 -23.272 6.370 -13.319 1162 3HG2 VAL 59 3HG2 VAL 59 -22.552 7.476 -12.145 1163 H SER 60 HN SER 60 -24.886 3.162 -9.867 1164 HA SER 60 HA SER 60 -22.952 1.720 -8.125 1165 1HB SER 60 2HB SER 60 -25.839 1.184 -8.892 1166 2HB SER 60 1HB SER 60 -24.951 0.398 -7.591 1167 HG SER 60 HG SER 60 -26.365 2.321 -7.114 1168 H PHE 61 HN PHE 61 -21.678 0.118 -9.104 1169 HA PHE 61 HA PHE 61 -22.760 -1.104 -11.634 1170 1HB PHE 61 2HB PHE 61 -20.225 -1.457 -12.051 1171 2HB PHE 61 1HB PHE 61 -20.860 0.179 -12.201 1172 HD1 PHE 61 HD1 PHE 61 -20.194 1.918 -10.723 1173 HD2 PHE 61 HD2 PHE 61 -19.048 -2.147 -9.928 1174 HE1 PHE 61 HE1 PHE 61 -18.645 2.701 -8.958 1175 HE2 PHE 61 HE2 PHE 61 -17.493 -1.362 -8.159 1176 HZ PHE 61 HZ PHE 61 -17.290 1.064 -7.674 1177 H ASP 62 HN ASP 62 -22.143 -3.378 -11.988 1178 HA ASP 62 HA ASP 62 -22.415 -4.843 -9.448 1179 1HB ASP 62 2HB ASP 62 -23.011 -6.693 -10.986 1180 2HB ASP 62 1HB ASP 62 -23.906 -5.231 -11.370 1181 H LEU 63 HN LEU 63 -21.200 -6.714 -8.935 1182 HA LEU 63 HA LEU 63 -18.585 -7.154 -10.246 1183 1HB LEU 63 2HB LEU 63 -19.112 -5.277 -8.116 1184 2HB LEU 63 1HB LEU 63 -18.051 -6.548 -7.527 1185 HG LEU 63 HG LEU 63 -17.337 -5.585 -10.208 1186 1HD1 LEU 63 1HD1 LEU 63 -16.754 -3.385 -9.698 1187 2HD1 LEU 63 2HD1 LEU 63 -16.732 -3.688 -7.960 1188 3HD1 LEU 63 3HD1 LEU 63 -18.273 -3.551 -8.811 1189 1HD2 LEU 63 1HD2 LEU 63 -15.327 -6.345 -9.483 1190 2HD2 LEU 63 2HD2 LEU 63 -16.122 -6.829 -7.985 1191 3HD2 LEU 63 3HD2 LEU 63 -15.361 -5.245 -8.107 1192 H MET 64 HN MET 64 -18.979 -9.432 -10.285 1193 HA MET 64 HA MET 64 -20.250 -10.920 -8.203 1194 1HB MET 64 2HB MET 64 -19.724 -11.613 -10.588 1195 2HB MET 64 1HB MET 64 -18.053 -11.840 -10.082 1196 1HG MET 64 2HG MET 64 -18.787 -13.472 -8.379 1197 2HG MET 64 1HG MET 64 -20.459 -13.254 -8.898 1198 1HE MET 64 1HE MET 64 -21.312 -13.467 -10.964 1199 2HE MET 64 2HE MET 64 -21.019 -14.853 -12.012 1200 3HE MET 64 3HE MET 64 -20.220 -13.319 -12.349 1201 H LYS 65 HN LYS 65 -19.431 -11.739 -6.277 1202 HA LYS 65 HA LYS 65 -17.296 -10.418 -5.036 1203 1HB LYS 65 2HB LYS 65 -19.151 -11.582 -3.907 1204 2HB LYS 65 1HB LYS 65 -18.506 -13.136 -4.440 1205 1HG LYS 65 2HG LYS 65 -16.429 -12.708 -3.179 1206 2HG LYS 65 1HG LYS 65 -17.074 -11.157 -2.643 1207 1HD LYS 65 2HD LYS 65 -18.922 -12.290 -1.500 1208 2HD LYS 65 1HD LYS 65 -18.340 -13.853 -2.076 1209 1HE LYS 65 2HE LYS 65 -16.076 -12.826 -0.892 1210 2HE LYS 65 1HE LYS 65 -17.361 -12.213 0.169 1211 1HZ LYS 65 1HZ LYS 65 -16.462 -14.626 0.487 1212 2HZ LYS 65 2HZ LYS 65 -17.503 -14.981 -0.810 1213 3HZ LYS 65 3HZ LYS 65 -18.124 -14.314 0.625 1214 H GLU 66 HN GLU 66 -17.283 -13.725 -6.443 1215 HA GLU 66 HA GLU 66 -14.497 -14.218 -5.861 1216 1HB GLU 66 2HB GLU 66 -16.171 -15.969 -6.371 1217 2HB GLU 66 1HB GLU 66 -16.352 -15.323 -8.003 1218 1HG GLU 66 2HG GLU 66 -14.833 -17.189 -8.143 1219 2HG GLU 66 1HG GLU 66 -13.874 -15.721 -8.334 1220 H THR 67 HN THR 67 -16.203 -12.863 -8.673 1221 HA THR 67 HA THR 67 -13.903 -12.440 -10.354 1222 HB THR 67 HB THR 67 -16.475 -10.865 -9.998 1223 HG1 THR 67 HG1 THR 67 -16.643 -13.139 -10.518 1224 1HG2 THR 67 1HG2 THR 67 -15.207 -9.458 -11.324 1225 2HG2 THR 67 2HG2 THR 67 -15.896 -10.509 -12.562 1226 3HG2 THR 67 3HG2 THR 67 -14.249 -10.779 -11.992 1227 H LEU 68 HN LEU 68 -15.410 -10.544 -7.749 1228 HA LEU 68 HA LEU 68 -13.860 -8.176 -7.962 1229 1HB LEU 68 2HB LEU 68 -15.921 -8.514 -6.640 1230 2HB LEU 68 1HB LEU 68 -15.063 -9.626 -5.579 1231 HG LEU 68 HG LEU 68 -13.446 -7.714 -5.093 1232 1HD1 LEU 68 1HD1 LEU 68 -15.707 -6.098 -6.312 1233 2HD1 LEU 68 2HD1 LEU 68 -14.136 -6.347 -7.073 1234 3HD1 LEU 68 3HD1 LEU 68 -14.250 -5.454 -5.558 1235 1HD2 LEU 68 1HD2 LEU 68 -14.683 -7.614 -3.216 1236 2HD2 LEU 68 2HD2 LEU 68 -16.030 -8.352 -4.085 1237 3HD2 LEU 68 3HD2 LEU 68 -15.868 -6.595 -4.036 1238 H ARG 69 HN ARG 69 -13.302 -11.188 -6.122 1239 HA ARG 69 HA ARG 69 -10.782 -10.337 -4.965 1240 1HB ARG 69 2HB ARG 69 -12.314 -12.122 -4.121 1241 2HB ARG 69 1HB ARG 69 -11.898 -13.100 -5.528 1242 1HG ARG 69 2HG ARG 69 -9.592 -13.232 -4.854 1243 2HG ARG 69 1HG ARG 69 -9.841 -12.037 -3.579 1244 1HD ARG 69 2HD ARG 69 -11.287 -13.556 -2.352 1245 2HD ARG 69 1HD ARG 69 -11.233 -14.735 -3.678 1246 HE ARG 69 HE ARG 69 -9.077 -15.368 -2.945 1247 1HH1 ARG 69 1HH1 ARG 69 -9.989 -12.269 -1.712 1248 2HH1 ARG 69 2HH1 ARG 69 -8.587 -12.115 -0.709 1249 1HH2 ARG 69 1HH2 ARG 69 -7.247 -15.173 -1.639 1250 2HH2 ARG 69 2HH2 ARG 69 -7.037 -13.755 -0.667 1251 H ILE 70 HN ILE 70 -11.686 -12.179 -7.877 1252 HA ILE 70 HA ILE 70 -9.069 -13.025 -8.606 1253 HB ILE 70 HB ILE 70 -11.669 -13.370 -9.393 1254 1HG1 ILE 70 2HG1 ILE 70 -9.219 -14.134 -10.995 1255 2HG1 ILE 70 1HG1 ILE 70 -9.769 -14.969 -9.543 1256 1HG2 ILE 70 1HG2 ILE 70 -11.802 -11.454 -10.834 1257 2HG2 ILE 70 2HG2 ILE 70 -11.672 -12.877 -11.867 1258 3HG2 ILE 70 3HG2 ILE 70 -10.262 -11.854 -11.594 1259 1HD1 ILE 70 1HD1 ILE 70 -10.770 -16.257 -11.206 1260 2HD1 ILE 70 2HD1 ILE 70 -11.035 -14.869 -12.262 1261 3HD1 ILE 70 3HD1 ILE 70 -12.057 -15.107 -10.843 1262 H THR 71 HN THR 71 -10.961 -10.164 -9.497 1263 HA THR 71 HA THR 71 -8.751 -8.993 -11.049 1264 HB THR 71 HB THR 71 -10.335 -7.185 -11.373 1265 HG1 THR 71 HG1 THR 71 -12.197 -8.309 -9.645 1266 1HG2 THR 71 1HG2 THR 71 -12.034 -8.337 -12.471 1267 2HG2 THR 71 2HG2 THR 71 -12.141 -9.574 -11.222 1268 3HG2 THR 71 3HG2 THR 71 -10.784 -9.574 -12.342 1269 H ASN 72 HN ASN 72 -8.519 -6.472 -10.282 1270 HA ASN 72 HA ASN 72 -7.764 -6.533 -7.396 1271 1HB ASN 72 2HB ASN 72 -5.930 -5.889 -8.725 1272 2HB ASN 72 1HB ASN 72 -6.941 -5.003 -9.857 1273 1HD2 ASN 72 1HD2 ASN 72 -5.828 -2.973 -9.649 1274 2HD2 ASN 72 2HD2 ASN 72 -5.834 -2.079 -8.200 1275 H LEU 73 HN LEU 73 -10.535 -6.215 -8.775 1276 HA LEU 73 HA LEU 73 -11.379 -3.478 -8.256 1277 1HB LEU 73 2HB LEU 73 -12.787 -6.150 -8.533 1278 2HB LEU 73 1HB LEU 73 -13.641 -4.617 -8.383 1279 HG LEU 73 HG LEU 73 -11.653 -5.311 -10.575 1280 1HD1 LEU 73 1HD1 LEU 73 -13.600 -5.373 -12.027 1281 2HD1 LEU 73 2HD1 LEU 73 -14.655 -4.895 -10.702 1282 3HD1 LEU 73 3HD1 LEU 73 -13.876 -6.477 -10.682 1283 1HD2 LEU 73 1HD2 LEU 73 -11.483 -3.051 -10.708 1284 2HD2 LEU 73 2HD2 LEU 73 -12.847 -2.802 -9.619 1285 3HD2 LEU 73 3HD2 LEU 73 -13.131 -3.095 -11.335 1286 H GLY 74 HN GLY 74 -11.420 -6.528 -6.403 1287 1HA GLY 74 2HA GLY 74 -12.988 -5.831 -4.240 1288 2HA GLY 74 1HA GLY 74 -11.590 -6.886 -4.096 1289 H ASP 75 HN ASP 75 -9.889 -4.527 -5.075 1290 HA ASP 75 HA ASP 75 -8.964 -3.743 -2.495 1291 1HB ASP 75 2HB ASP 75 -7.434 -2.377 -3.782 1292 2HB ASP 75 1HB ASP 75 -7.737 -3.847 -4.706 1293 H LEU 76 HN LEU 76 -11.518 -2.486 -4.435 1294 HA LEU 76 HA LEU 76 -11.433 0.275 -3.812 1295 1HB LEU 76 2HB LEU 76 -13.755 -1.594 -4.315 1296 2HB LEU 76 1HB LEU 76 -13.857 0.161 -4.394 1297 HG LEU 76 HG LEU 76 -11.956 -1.511 -6.060 1298 1HD1 LEU 76 1HD1 LEU 76 -14.680 -0.333 -6.638 1299 2HD1 LEU 76 2HD1 LEU 76 -14.134 -1.992 -6.887 1300 3HD1 LEU 76 3HD1 LEU 76 -13.531 -0.700 -7.925 1301 1HD2 LEU 76 1HD2 LEU 76 -10.976 0.469 -6.494 1302 2HD2 LEU 76 2HD2 LEU 76 -12.106 1.278 -5.407 1303 3HD2 LEU 76 3HD2 LEU 76 -12.509 1.082 -7.115 1304 H LYS 77 HN LYS 77 -12.224 1.482 -2.152 1305 HA LYS 77 HA LYS 77 -13.857 0.196 -0.026 1306 1HB LYS 77 2HB LYS 77 -11.281 1.753 0.407 1307 2HB LYS 77 1HB LYS 77 -12.374 1.255 1.698 1308 1HG LYS 77 2HG LYS 77 -12.057 -1.109 1.061 1309 2HG LYS 77 1HG LYS 77 -10.960 -0.613 -0.229 1310 1HD LYS 77 2HD LYS 77 -9.451 0.403 1.440 1311 2HD LYS 77 1HD LYS 77 -10.545 -0.095 2.731 1312 1HE LYS 77 2HE LYS 77 -10.251 -2.496 1.823 1313 2HE LYS 77 1HE LYS 77 -8.858 -1.847 0.932 1314 1HZ LYS 77 1HZ LYS 77 -7.793 -1.223 2.869 1315 2HZ LYS 77 2HZ LYS 77 -8.507 -2.693 3.334 1316 3HZ LYS 77 3HZ LYS 77 -9.217 -1.218 3.789 1317 H VAL 78 HN VAL 78 -15.402 1.664 0.782 1318 HA VAL 78 HA VAL 78 -16.063 3.921 -0.783 1319 HB VAL 78 HB VAL 78 -16.756 3.461 2.134 1320 1HG1 VAL 78 1HG1 VAL 78 -18.867 4.341 0.332 1321 2HG1 VAL 78 2HG1 VAL 78 -17.490 5.455 0.296 1322 3HG1 VAL 78 3HG1 VAL 78 -18.291 5.089 1.826 1323 1HG2 VAL 78 1HG2 VAL 78 -17.358 1.407 1.289 1324 2HG2 VAL 78 2HG2 VAL 78 -17.495 2.014 -0.362 1325 3HG2 VAL 78 3HG2 VAL 78 -18.782 2.327 0.802 1326 H GLY 79 HN GLY 79 -15.871 6.165 -0.369 1327 1HA GLY 79 2HA GLY 79 -14.955 8.106 0.680 1328 2HA GLY 79 1HA GLY 79 -14.062 7.060 1.786 1329 H ASP 80 HN ASP 80 -13.435 5.489 -0.873 1330 HA ASP 80 HA ASP 80 -10.954 7.023 -1.492 1331 1HB ASP 80 2HB ASP 80 -11.015 4.564 -0.846 1332 2HB ASP 80 1HB ASP 80 -11.829 4.258 -2.376 1333 H TRP 81 HN TRP 81 -10.377 7.221 -3.829 1334 HA TRP 81 HA TRP 81 -12.831 7.466 -5.536 1335 1HB TRP 81 2HB TRP 81 -10.216 8.990 -5.449 1336 2HB TRP 81 1HB TRP 81 -11.351 9.139 -6.785 1337 HD1 TRP 81 HD1 TRP 81 -11.956 9.022 -2.958 1338 HE1 TRP 81 HE1 TRP 81 -13.421 11.035 -2.324 1339 HE3 TRP 81 HE3 TRP 81 -12.368 11.286 -7.519 1340 HZ2 TRP 81 HZ2 TRP 81 -14.605 13.320 -3.573 1341 HZ3 TRP 81 HZ3 TRP 81 -13.670 13.384 -7.768 1342 HH2 TRP 81 HH2 TRP 81 -14.788 14.401 -5.799 1343 H VAL 82 HN VAL 82 -12.627 6.788 -7.747 1344 HA VAL 82 HA VAL 82 -10.329 4.929 -8.298 1345 HB VAL 82 HB VAL 82 -12.245 3.571 -8.054 1346 1HG1 VAL 82 1HG1 VAL 82 -14.403 4.411 -9.387 1347 2HG1 VAL 82 2HG1 VAL 82 -13.660 5.984 -9.090 1348 3HG1 VAL 82 3HG1 VAL 82 -14.080 4.936 -7.733 1349 1HG2 VAL 82 1HG2 VAL 82 -12.503 2.626 -10.135 1350 2HG2 VAL 82 2HG2 VAL 82 -11.162 3.710 -10.516 1351 3HG2 VAL 82 3HG2 VAL 82 -12.821 4.182 -10.907 1352 H ASN 83 HN ASN 83 -9.526 4.957 -10.425 1353 HA ASN 83 HA ASN 83 -9.929 7.315 -12.109 1354 1HB ASN 83 2HB ASN 83 -8.290 4.891 -11.934 1355 2HB ASN 83 1HB ASN 83 -8.754 5.262 -13.580 1356 1HD2 ASN 83 1HD2 ASN 83 -8.812 8.160 -13.331 1357 2HD2 ASN 83 2HD2 ASN 83 -7.215 8.684 -13.094 1358 H VAL 84 HN VAL 84 -12.107 7.389 -12.849 1359 HA VAL 84 HA VAL 84 -13.197 4.844 -13.964 1360 HB VAL 84 HB VAL 84 -15.338 6.433 -13.983 1361 1HG1 VAL 84 1HG1 VAL 84 -15.922 5.445 -11.879 1362 2HG1 VAL 84 2HG1 VAL 84 -14.227 5.315 -11.401 1363 3HG1 VAL 84 3HG1 VAL 84 -14.857 4.306 -12.708 1364 1HG2 VAL 84 1HG2 VAL 84 -13.661 7.578 -11.730 1365 2HG2 VAL 84 2HG2 VAL 84 -15.319 8.016 -12.142 1366 3HG2 VAL 84 3HG2 VAL 84 -14.000 8.426 -13.239 1367 H GLU 85 HN GLU 85 -13.720 4.633 -16.057 1368 HA GLU 85 HA GLU 85 -13.354 7.020 -17.848 1369 1HB GLU 85 2HB GLU 85 -11.311 5.571 -17.615 1370 2HB GLU 85 1HB GLU 85 -12.250 4.223 -18.259 1371 1HG GLU 85 2HG GLU 85 -12.646 5.448 -20.338 1372 2HG GLU 85 1HG GLU 85 -11.792 6.853 -19.698 1373 H ARG 86 HN ARG 86 -14.827 7.101 -19.542 1374 HA ARG 86 HA ARG 86 -17.192 5.510 -19.493 1375 1HB ARG 86 2HB ARG 86 -16.956 7.778 -20.462 1376 2HB ARG 86 1HB ARG 86 -15.921 7.123 -21.732 1377 1HG ARG 86 2HG ARG 86 -17.769 5.676 -22.497 1378 2HG ARG 86 1HG ARG 86 -18.807 6.333 -21.231 1379 1HD ARG 86 2HD ARG 86 -18.469 8.625 -22.217 1380 2HD ARG 86 1HD ARG 86 -17.599 7.862 -23.562 1381 HE ARG 86 HE ARG 86 -20.058 6.474 -23.200 1382 1HH1 ARG 86 1HH1 ARG 86 -18.816 9.548 -24.176 1383 2HH1 ARG 86 2HH1 ARG 86 -20.143 9.889 -25.235 1384 1HH2 ARG 86 1HH2 ARG 86 -21.790 6.912 -24.578 1385 2HH2 ARG 86 2HH2 ARG 86 -21.822 8.401 -25.463 1386 H ALA 87 HN ALA 87 -17.526 3.459 -20.258 1387 HA ALA 87 HA ALA 87 -15.664 2.408 -22.360 1388 1HB ALA 87 1HB ALA 87 -15.109 0.684 -20.985 1389 2HB ALA 87 2HB ALA 87 -16.777 0.463 -20.461 1390 3HB ALA 87 3HB ALA 87 -15.767 1.685 -19.691 1391 H ALA 88 HN ALA 88 -16.632 0.848 -23.791 1392 HA ALA 88 HA ALA 88 -19.630 0.686 -23.714 1393 1HB ALA 88 1HB ALA 88 -18.622 2.672 -24.985 1394 2HB ALA 88 2HB ALA 88 -19.724 1.645 -25.905 1395 3HB ALA 88 3HB ALA 88 -17.979 1.481 -26.118 1396 H LYS 89 HN LYS 89 -20.476 -0.974 -25.129 1397 HA LYS 89 HA LYS 89 -18.959 -3.416 -25.294 1398 1HB LYS 89 2HB LYS 89 -21.475 -2.422 -26.672 1399 2HB LYS 89 1HB LYS 89 -20.964 -4.111 -26.607 1400 1HG LYS 89 2HG LYS 89 -21.525 -4.340 -24.399 1401 2HG LYS 89 1HG LYS 89 -21.080 -2.677 -24.008 1402 1HD LYS 89 2HD LYS 89 -23.119 -1.812 -24.822 1403 2HD LYS 89 1HD LYS 89 -23.493 -3.293 -25.710 1404 1HE LYS 89 2HE LYS 89 -23.738 -4.510 -23.548 1405 2HE LYS 89 1HE LYS 89 -23.440 -2.988 -22.684 1406 1HZ LYS 89 1HZ LYS 89 -25.385 -2.074 -23.410 1407 2HZ LYS 89 2HZ LYS 89 -25.867 -3.703 -23.347 1408 3HZ LYS 89 3HZ LYS 89 -25.434 -2.999 -24.831 1409 H PHE 90 HN PHE 90 -19.771 -0.878 -27.661 1410 HA PHE 90 HA PHE 90 -17.487 -1.678 -29.350 1411 1HB PHE 90 2HB PHE 90 -18.873 -2.267 -31.244 1412 2HB PHE 90 1HB PHE 90 -19.447 -3.194 -29.858 1413 HD1 PHE 90 HD1 PHE 90 -21.527 -2.542 -28.670 1414 HD2 PHE 90 HD2 PHE 90 -20.214 -0.513 -32.226 1415 HE1 PHE 90 HE1 PHE 90 -23.781 -1.534 -28.928 1416 HE2 PHE 90 HE2 PHE 90 -22.467 0.495 -32.483 1417 HZ PHE 90 HZ PHE 90 -24.251 -0.015 -30.834 1418 H SER 91 HN SER 91 -17.186 -0.121 -31.140 1419 HA SER 91 HA SER 91 -18.695 2.445 -30.771 1420 1HB SER 91 2HB SER 91 -15.720 1.957 -31.097 1421 2HB SER 91 1HB SER 91 -16.462 3.552 -31.187 1422 HG SER 91 HG SER 91 -15.648 2.388 -29.046 1423 H ASP 92 HN ASP 92 -19.439 3.279 -32.704 1424 HA ASP 92 HA ASP 92 -19.212 1.884 -35.193 1425 1HB ASP 92 2HB ASP 92 -19.933 4.725 -34.413 1426 2HB ASP 92 1HB ASP 92 -20.117 4.105 -36.054 1427 H GLU 93 HN GLU 93 -17.535 4.785 -33.941 1428 HA GLU 93 HA GLU 93 -15.336 4.281 -35.875 1429 1HB GLU 93 2HB GLU 93 -16.538 5.859 -37.077 1430 2HB GLU 93 1HB GLU 93 -17.263 6.557 -35.631 1431 1HG GLU 93 2HG GLU 93 -15.433 7.893 -35.192 1432 2HG GLU 93 1HG GLU 93 -14.321 6.857 -36.083 1433 H ILE 94 HN ILE 94 -14.615 3.497 -33.598 1434 HA ILE 94 HA ILE 94 -13.436 3.866 -31.508 1435 HB ILE 94 HB ILE 94 -12.503 5.993 -33.450 1436 1HG1 ILE 94 2HG1 ILE 94 -12.096 3.663 -34.111 1437 2HG1 ILE 94 1HG1 ILE 94 -10.576 4.456 -33.699 1438 1HG2 ILE 94 1HG2 ILE 94 -10.411 5.692 -31.749 1439 2HG2 ILE 94 2HG2 ILE 94 -11.752 5.480 -30.623 1440 3HG2 ILE 94 3HG2 ILE 94 -11.621 6.963 -31.568 1441 1HD1 ILE 94 1HD1 ILE 94 -10.246 2.650 -32.358 1442 2HD1 ILE 94 2HD1 ILE 94 -11.959 2.227 -32.349 1443 3HD1 ILE 94 3HD1 ILE 94 -11.352 3.475 -31.260 1444 H GLY 95 HN GLY 95 -16.077 5.192 -32.010 1445 1HA GLY 95 2HA GLY 95 -16.033 7.892 -31.096 1446 2HA GLY 95 1HA GLY 95 -17.451 6.843 -31.053 1447 H GLY 96 HN GLY 96 -14.512 7.715 -29.253 1448 1HA GLY 96 2HA GLY 96 -15.392 8.229 -26.810 1449 2HA GLY 96 1HA GLY 96 -15.671 6.488 -26.806 1450 H HIS 97 HN HIS 97 -14.033 6.987 -24.902 1451 HA HIS 97 HA HIS 97 -11.867 6.533 -24.071 1452 1HB HIS 97 2HB HIS 97 -12.246 5.143 -26.627 1453 2HB HIS 97 1HB HIS 97 -10.547 5.433 -26.250 1454 HD1 HIS 97 HD1 HIS 97 -9.785 3.207 -25.356 1455 HD2 HIS 97 HD2 HIS 97 -13.366 4.446 -23.619 1456 HE1 HIS 97 HE1 HIS 97 -10.298 1.549 -23.513 1457 HN3 RBF 98 HN3 RBF 98 4.192 6.672 -13.265 1458 HC6 RBF 98 HC6 RBF 98 3.085 5.094 -19.945 1459 1HC7 RBF 98 1HC7 RBF 98 2.108 6.472 -23.148 1460 2HC7 RBF 98 2HC7 RBF 98 1.020 5.247 -22.460 1461 3HC7 RBF 98 3HC7 RBF 98 2.780 5.065 -22.294 1462 1HC8 RBF 98 1HC8 RBF 98 1.171 9.063 -22.648 1463 2HC8 RBF 98 2HC8 RBF 98 -0.405 8.781 -21.875 1464 3HC8 RBF 98 3HC8 RBF 98 0.337 7.509 -22.871 1465 HC9 RBF 98 HC9 RBF 98 0.664 9.421 -19.693 1466 1HC1 RBF 98 1HC1 RBF 98 1.548 10.665 -17.935 1467 2HC1 RBF 98 2HC1 RBF 98 1.152 10.294 -16.245 1468 HC2* RBF 98 HC2* RBF 98 -0.523 8.793 -18.133 1469 HO2* RBF 98 HO2* RBF 98 -1.030 10.406 -19.417 1470 HC3* RBF 98 HC3* RBF 98 -0.630 10.015 -15.530 1471 HO3* RBF 98 HO3* RBF 98 -2.004 8.366 -15.288 1472 HC4* RBF 98 HC4* RBF 98 -3.017 10.882 -15.732 1473 HO4* RBF 98 HO4* RBF 98 -3.876 10.624 -17.663 1474 1HC5 RBF 98 1HC5 RBF 98 -1.123 12.410 -15.441 1475 2HC5 RBF 98 2HC5 RBF 98 -0.797 12.371 -17.185 1476 HO5* RBF 98 HO5* RBF 98 -3.013 13.527 -15.808 1477 HN3 RBF 99 HN3 RBF 99 -18.723 -6.512 -12.279 1478 HC6 RBF 99 HC6 RBF 99 -17.834 -5.546 -19.107 1479 1HC7 RBF 99 1HC7 RBF 99 -16.954 -7.210 -22.201 1480 2HC7 RBF 99 2HC7 RBF 99 -15.848 -5.928 -21.662 1481 3HC7 RBF 99 3HC7 RBF 99 -17.602 -5.732 -21.458 1482 1HC8 RBF 99 1HC8 RBF 99 -15.993 -9.744 -21.497 1483 2HC8 RBF 99 2HC8 RBF 99 -14.394 -9.393 -20.804 1484 3HC8 RBF 99 3HC8 RBF 99 -15.172 -8.217 -21.887 1485 HC9 RBF 99 HC9 RBF 99 -15.392 -9.832 -18.539 1486 1HC1 RBF 99 1HC1 RBF 99 -16.216 -10.911 -16.648 1487 2HC1 RBF 99 2HC1 RBF 99 -15.767 -10.387 -15.012 1488 HC2* RBF 99 HC2* RBF 99 -14.161 -9.062 -17.081 1489 HO2* RBF 99 HO2* RBF 99 -13.686 -10.787 -18.229 1490 HC3* RBF 99 HC3* RBF 99 -13.964 -10.042 -14.383 1491 HO3* RBF 99 HO3* RBF 99 -12.589 -8.378 -14.336 1492 HC4* RBF 99 HC4* RBF 99 -11.582 -10.923 -14.580 1493 HO4* RBF 99 HO4* RBF 99 -10.785 -10.843 -16.554 1494 1HC5 RBF 99 1HC5 RBF 99 -13.460 -12.420 -14.092 1495 2HC5 RBF 99 2HC5 RBF 99 -13.842 -12.541 -15.821 1496 HO5* RBF 99 HO5* RBF 99 -11.580 -13.565 -14.416
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