NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20776 | 2ghf | 7034 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -7.109 6.313 -31.460 2 1HB MET 1 HB2 MET 1 -7.519 4.177 -30.199 3 2HB MET 1 HB1 MET 1 -6.787 4.910 -28.778 4 1HG MET 1 HG2 MET 1 -8.556 6.665 -28.887 5 2HG MET 1 HG1 MET 1 -9.334 5.719 -30.148 6 1HE MET 1 HE1 MET 1 -11.581 5.711 -28.733 7 2HE MET 1 HE2 MET 1 -10.777 6.677 -27.498 8 3HE MET 1 HE3 MET 1 -11.663 5.229 -27.037 9 H ALA 2 H ALA 2 -7.746 8.324 -30.467 10 HA ALA 2 HA ALA 2 -5.601 9.814 -29.292 11 1HB ALA 2 HB1 ALA 2 -8.510 10.552 -29.642 12 2HB ALA 2 HB2 ALA 2 -7.246 10.834 -30.828 13 3HB ALA 2 HB3 ALA 2 -7.196 11.665 -29.273 14 H HIS 3 H HIS 3 -8.425 8.214 -28.236 15 HA HIS 3 HA HIS 3 -8.929 7.212 -26.332 16 1HB HIS 3 HB2 HIS 3 -6.729 8.811 -25.033 17 2HB HIS 3 HB1 HIS 3 -7.850 7.831 -24.092 18 HD1 HIS 3 HD1 HIS 3 -4.652 7.620 -25.841 19 HD2 HIS 3 HD2 HIS 3 -7.759 5.014 -24.910 20 HE1 HIS 3 HE1 HIS 3 -3.705 5.298 -26.039 21 H HIS 4 H HIS 4 -10.521 7.425 -25.017 22 HA HIS 4 HA HIS 4 -11.698 10.097 -24.820 23 1HB HIS 4 HB2 HIS 4 -12.930 8.474 -26.289 24 2HB HIS 4 HB1 HIS 4 -13.042 7.372 -24.932 25 HD1 HIS 4 HD1 HIS 4 -14.991 9.829 -26.682 26 HD2 HIS 4 HD2 HIS 4 -14.642 8.637 -22.715 27 HE1 HIS 4 HE1 HIS 4 -17.091 10.565 -25.559 28 H HIS 5 H HIS 5 -10.877 10.622 -22.817 29 HA HIS 5 HA HIS 5 -10.789 8.744 -20.710 30 1HB HIS 5 HB2 HIS 5 -9.174 10.588 -20.799 31 2HB HIS 5 HB1 HIS 5 -10.479 11.758 -20.642 32 HD1 HIS 5 HD1 HIS 5 -10.875 12.543 -18.288 33 HD2 HIS 5 HD2 HIS 5 -9.030 8.823 -18.419 34 HE1 HIS 5 HE1 HIS 5 -10.404 11.912 -15.901 35 H HIS 6 H HIS 6 -12.335 8.127 -19.550 36 HA HIS 6 HA HIS 6 -14.315 9.796 -18.384 37 1HB HIS 6 HB2 HIS 6 -15.330 9.490 -20.661 38 2HB HIS 6 HB1 HIS 6 -15.257 7.749 -20.433 39 HD1 HIS 6 HD1 HIS 6 -17.432 6.738 -19.590 40 HD2 HIS 6 HD2 HIS 6 -17.015 10.752 -18.568 41 HE1 HIS 6 HE1 HIS 6 -19.556 7.392 -18.442 42 H HIS 7 H HIS 7 -13.599 6.520 -19.462 43 HA HIS 7 HA HIS 7 -14.519 5.470 -16.954 44 1HB HIS 7 HB2 HIS 7 -13.507 4.057 -19.430 45 2HB HIS 7 HB1 HIS 7 -14.070 3.228 -17.978 46 HD1 HIS 7 HD1 HIS 7 -16.647 3.316 -17.482 47 HD2 HIS 7 HD2 HIS 7 -15.476 5.219 -20.986 48 HE1 HIS 7 HE1 HIS 7 -18.757 3.850 -18.731 49 H HIS 8 H HIS 8 -13.243 6.180 -15.598 50 HA HIS 8 HA HIS 8 -10.837 4.922 -14.892 51 1HB HIS 8 HB2 HIS 8 -9.856 6.331 -16.698 52 2HB HIS 8 HB1 HIS 8 -10.570 7.763 -15.974 53 HD1 HIS 8 HD1 HIS 8 -8.710 9.108 -14.961 54 HD2 HIS 8 HD2 HIS 8 -8.173 5.021 -14.412 55 HE1 HIS 8 HE1 HIS 8 -6.609 8.854 -13.597 56 H ASN 9 H ASN 9 -12.960 7.692 -14.837 57 HA ASN 9 HA ASN 9 -12.514 8.617 -12.263 58 1HB ASN 9 HB2 ASN 9 -15.103 8.627 -13.844 59 2HB ASN 9 HB1 ASN 9 -14.841 9.527 -12.355 60 1HD2 ASN 9 HD21 ASN 9 -14.309 9.405 -15.747 61 2HD2 ASN 9 HD22 ASN 9 -13.581 10.962 -15.893 62 H GLN 10 H GLN 10 -12.703 7.628 -10.457 63 HA GLN 10 HA GLN 10 -13.343 6.371 -8.755 64 1HB GLN 10 HB2 GLN 10 -15.976 6.012 -10.191 65 2HB GLN 10 HB1 GLN 10 -15.672 5.656 -8.495 66 1HG GLN 10 HG2 GLN 10 -15.557 8.354 -9.820 67 2HG GLN 10 HG1 GLN 10 -16.777 7.791 -8.678 68 1HE2 GLN 10 HE21 GLN 10 -14.927 10.071 -8.573 69 2HE2 GLN 10 HE22 GLN 10 -14.059 9.908 -7.097 70 H GLN 11 H GLN 11 -12.751 5.099 -11.642 71 HA GLN 11 HA GLN 11 -13.051 2.299 -10.950 72 1HB GLN 11 HB2 GLN 11 -12.979 2.938 -13.321 73 2HB GLN 11 HB1 GLN 11 -11.406 3.687 -13.097 74 1HG GLN 11 HG2 GLN 11 -10.501 1.431 -12.491 75 2HG GLN 11 HG1 GLN 11 -12.056 0.746 -12.937 76 1HE2 GLN 11 HE21 GLN 11 -12.419 2.544 -15.247 77 2HE2 GLN 11 HE22 GLN 11 -11.289 1.991 -16.424 78 H ASN 12 H ASN 12 -10.692 4.804 -10.998 79 HA ASN 12 HA ASN 12 -8.745 3.149 -9.571 80 1HB ASN 12 HB2 ASN 12 -7.975 3.887 -11.766 81 2HB ASN 12 HB1 ASN 12 -8.408 5.545 -11.388 82 1HD2 ASN 12 HD21 ASN 12 -6.296 6.180 -11.864 83 2HD2 ASN 12 HD22 ASN 12 -5.000 5.905 -10.763 84 H LYS 13 H LYS 13 -8.998 3.574 -7.452 85 HA LYS 13 HA LYS 13 -9.672 6.207 -6.470 86 1HB LYS 13 HB2 LYS 13 -10.480 4.139 -5.327 87 2HB LYS 13 HB1 LYS 13 -8.821 3.696 -4.967 88 1HG LYS 13 HG2 LYS 13 -8.628 5.730 -3.549 89 2HG LYS 13 HG1 LYS 13 -10.322 6.086 -3.882 90 1HD LYS 13 HD2 LYS 13 -9.363 3.527 -2.587 91 2HD LYS 13 HD1 LYS 13 -9.881 4.943 -1.679 92 1HE LYS 13 HE2 LYS 13 -11.623 3.453 -3.663 93 2HE LYS 13 HE1 LYS 13 -11.629 3.164 -1.929 94 1HZ LYS 13 HZ1 LYS 13 -12.352 5.730 -3.259 95 2HZ LYS 13 HZ2 LYS 13 -12.315 5.455 -1.592 96 3HZ LYS 13 HZ3 LYS 13 -13.423 4.636 -2.542 97 H LYS 14 H LYS 14 -6.915 4.548 -7.424 98 HA LYS 14 HA LYS 14 -4.740 4.979 -7.532 99 1HB LYS 14 HB2 LYS 14 -5.481 7.215 -8.243 100 2HB LYS 14 HB1 LYS 14 -5.530 7.746 -6.574 101 1HG LYS 14 HG2 LYS 14 -3.562 8.586 -7.696 102 2HG LYS 14 HG1 LYS 14 -3.098 7.438 -6.434 103 1HD LYS 14 HD2 LYS 14 -2.820 5.717 -8.038 104 2HD LYS 14 HD1 LYS 14 -3.382 6.765 -9.356 105 1HE LYS 14 HE2 LYS 14 -0.932 7.113 -7.655 106 2HE LYS 14 HE1 LYS 14 -0.976 6.534 -9.311 107 1HZ LYS 14 HZ1 LYS 14 -1.689 9.296 -8.388 108 2HZ LYS 14 HZ2 LYS 14 -1.879 8.735 -9.976 109 3HZ LYS 14 HZ3 LYS 14 -0.361 8.835 -9.311 110 H VAL 15 H VAL 15 -4.951 7.133 -4.958 111 HA VAL 15 HA VAL 15 -4.825 5.644 -2.768 112 HB VAL 15 HB VAL 15 -2.481 5.041 -3.957 113 1HG1 VAL 15 HG11 VAL 15 -1.832 7.636 -2.655 114 2HG1 VAL 15 HG12 VAL 15 -1.564 7.185 -4.357 115 3HG1 VAL 15 HG13 VAL 15 -0.661 6.384 -3.042 116 1HG2 VAL 15 HG21 VAL 15 -1.494 4.694 -1.769 117 2HG2 VAL 15 HG22 VAL 15 -3.227 4.252 -1.866 118 3HG2 VAL 15 HG23 VAL 15 -2.736 5.774 -1.109 119 H GLU 16 H GLU 16 -5.091 7.143 -1.161 120 HA GLU 16 HA GLU 16 -4.676 9.874 -2.048 121 1HB GLU 16 HB2 GLU 16 -6.820 10.395 -0.701 122 2HB GLU 16 HB1 GLU 16 -6.958 9.687 -2.302 123 1HG GLU 16 HG2 GLU 16 -7.351 7.532 -1.371 124 2HG GLU 16 HG1 GLU 16 -7.039 8.130 0.252 125 H GLY 17 H GLY 17 -5.359 8.021 0.926 126 1HA GLY 17 HA2 GLY 17 -3.061 9.187 2.099 127 2HA GLY 17 HA1 GLY 17 -4.540 9.850 2.765 128 H GLY 18 H GLY 18 -2.624 7.135 2.339 129 1HA GLY 18 HA2 GLY 18 -2.579 6.051 4.707 130 2HA GLY 18 HA1 GLY 18 -4.206 5.563 4.252 131 H TYR 19 H TYR 19 -3.515 3.403 4.466 132 HA TYR 19 HA TYR 19 -1.586 2.535 2.444 133 1HB TYR 19 HB2 TYR 19 -2.602 0.983 4.815 134 2HB TYR 19 HB1 TYR 19 -1.194 0.627 3.814 135 HD1 TYR 19 HD1 TYR 19 -2.124 1.800 6.915 136 HD2 TYR 19 HD2 TYR 19 0.495 2.778 3.712 137 HE1 TYR 19 HE1 TYR 19 -0.811 3.135 8.433 138 HE2 TYR 19 HE2 TYR 19 1.865 4.123 5.245 139 HH TYR 19 HH TYR 19 1.613 5.286 7.315 140 H GLU 20 H GLU 20 -2.488 1.971 0.672 141 HA GLU 20 HA GLU 20 -5.098 0.682 0.669 142 1HB GLU 20 HB2 GLU 20 -4.699 2.474 -1.006 143 2HB GLU 20 HB1 GLU 20 -3.315 1.574 -1.620 144 1HG GLU 20 HG2 GLU 20 -5.126 -0.345 -1.832 145 2HG GLU 20 HG1 GLU 20 -6.214 1.031 -1.930 146 H CYS 21 H CYS 21 -5.050 -1.435 0.743 147 HA CYS 21 HA CYS 21 -2.707 -3.030 0.421 148 1HB CYS 21 HB2 CYS 21 -5.561 -3.908 0.145 149 2HB CYS 21 HB1 CYS 21 -4.177 -4.962 0.424 150 H LYS 22 H LYS 22 -2.098 -4.338 -1.307 151 HA LYS 22 HA LYS 22 -2.757 -3.730 -3.994 152 1HB LYS 22 HB2 LYS 22 -0.701 -4.798 -3.372 153 2HB LYS 22 HB1 LYS 22 -1.576 -6.178 -2.702 154 1HG LYS 22 HG2 LYS 22 -2.579 -6.464 -5.000 155 2HG LYS 22 HG1 LYS 22 -1.337 -5.353 -5.565 156 1HD LYS 22 HD2 LYS 22 0.383 -6.827 -4.865 157 2HD LYS 22 HD1 LYS 22 -0.787 -7.883 -4.057 158 1HE LYS 22 HE2 LYS 22 -0.269 -8.868 -6.182 159 2HE LYS 22 HE1 LYS 22 -1.906 -8.175 -6.172 160 1HZ LYS 22 HZ1 LYS 22 -1.199 -6.341 -7.469 161 2HZ LYS 22 HZ2 LYS 22 -0.595 -7.710 -8.239 162 3HZ LYS 22 HZ3 LYS 22 0.421 -6.762 -7.279 163 H TYR 23 H TYR 23 -4.240 -5.850 -1.663 164 HA TYR 23 HA TYR 23 -5.576 -7.369 -3.744 165 1HB TYR 23 HB2 TYR 23 -5.994 -8.525 -1.167 166 2HB TYR 23 HB1 TYR 23 -5.006 -9.141 -2.491 167 HD1 TYR 23 HD1 TYR 23 -2.583 -8.717 -2.544 168 HD2 TYR 23 HD2 TYR 23 -4.983 -7.312 0.666 169 HE1 TYR 23 HE1 TYR 23 -0.556 -8.213 -1.248 170 HE2 TYR 23 HE2 TYR 23 -2.967 -6.814 1.969 171 HH TYR 23 HH TYR 23 -0.608 -7.565 2.047 172 H CYS 24 H CYS 24 -6.252 -4.818 -1.831 173 HA CYS 24 HA CYS 24 -9.039 -5.301 -2.265 174 1HB CYS 24 HB2 CYS 24 -9.771 -4.705 0.023 175 2HB CYS 24 HB1 CYS 24 -8.704 -6.102 -0.006 176 H THR 25 H THR 25 -10.323 -3.303 -2.098 177 HA THR 25 HA THR 25 -8.620 -1.088 -2.910 178 HB THR 25 HB THR 25 -10.889 -0.191 -3.853 179 HG1 THR 25 HG1 THR 25 -11.456 -2.979 -3.678 180 1HG2 THR 25 HG21 THR 25 -9.018 -0.942 -5.252 181 2HG2 THR 25 HG22 THR 25 -10.560 -1.463 -5.937 182 3HG2 THR 25 HG23 THR 25 -9.546 -2.615 -5.070 183 H PHE 26 H PHE 26 -9.383 -1.961 -0.183 184 HA PHE 26 HA PHE 26 -10.677 0.461 0.805 185 1HB PHE 26 HB2 PHE 26 -10.011 -2.146 2.208 186 2HB PHE 26 HB1 PHE 26 -10.753 -0.754 2.986 187 HD1 PHE 26 HD1 PHE 26 -13.046 -0.075 2.354 188 HD2 PHE 26 HD2 PHE 26 -11.282 -3.656 0.890 189 HE1 PHE 26 HE1 PHE 26 -15.274 -0.917 1.739 190 HE2 PHE 26 HE2 PHE 26 -13.507 -4.503 0.265 191 HZ PHE 26 HZ PHE 26 -15.505 -3.129 0.694 192 H GLN 27 H GLN 27 -9.596 1.765 2.285 193 HA GLN 27 HA GLN 27 -6.747 1.270 2.610 194 1HB GLN 27 HB2 GLN 27 -6.648 2.618 0.727 195 2HB GLN 27 HB1 GLN 27 -8.019 3.610 1.237 196 1HG GLN 27 HG2 GLN 27 -6.643 4.655 2.933 197 2HG GLN 27 HG1 GLN 27 -5.338 3.529 2.544 198 1HE2 GLN 27 HE21 GLN 27 -4.102 3.938 1.011 199 2HE2 GLN 27 HE22 GLN 27 -4.050 5.328 -0.006 200 H THR 28 H THR 28 -5.882 2.043 4.428 201 HA THR 28 HA THR 28 -7.352 3.957 5.974 202 HB THR 28 HB THR 28 -8.185 1.921 6.976 203 HG1 THR 28 HG1 THR 28 -7.842 3.215 8.653 204 1HG2 THR 28 HG21 THR 28 -6.713 0.176 7.883 205 2HG2 THR 28 HG22 THR 28 -5.308 1.068 7.344 206 3HG2 THR 28 HG23 THR 28 -6.417 0.383 6.155 207 HA PRO 29 HA PRO 29 -3.076 5.276 6.459 208 1HB PRO 29 HB2 PRO 29 -3.605 7.446 8.013 209 2HB PRO 29 HB1 PRO 29 -3.821 7.420 6.256 210 1HG PRO 29 HG2 PRO 29 -5.870 7.067 8.406 211 2HG PRO 29 HG1 PRO 29 -5.960 8.026 6.917 212 1HD PRO 29 HD2 PRO 29 -7.100 5.583 7.141 213 2HD PRO 29 HD1 PRO 29 -6.405 6.160 5.602 214 H ASP 30 H ASP 30 -5.138 3.978 8.729 215 HA ASP 30 HA ASP 30 -3.244 4.233 10.914 216 1HB ASP 30 HB2 ASP 30 -5.997 3.039 10.722 217 2HB ASP 30 HB1 ASP 30 -4.935 2.647 12.063 218 H LEU 31 H LEU 31 -1.585 2.976 10.785 219 HA LEU 31 HA LEU 31 -1.246 0.751 9.238 220 1HB LEU 31 HB2 LEU 31 0.374 2.236 10.678 221 2HB LEU 31 HB1 LEU 31 0.135 0.998 11.887 222 HG LEU 31 HG LEU 31 2.191 0.509 10.754 223 1HD1 LEU 31 HD11 LEU 31 0.868 -1.474 11.209 224 2HD1 LEU 31 HD12 LEU 31 1.783 -1.669 9.696 225 3HD1 LEU 31 HD13 LEU 31 0.061 -1.251 9.661 226 1HD2 LEU 31 HD21 LEU 31 1.831 1.862 8.804 227 2HD2 LEU 31 HD22 LEU 31 0.624 0.723 8.226 228 3HD2 LEU 31 HD23 LEU 31 2.323 0.226 8.328 229 H ASN 32 H ASN 32 -2.418 1.007 12.646 230 HA ASN 32 HA ASN 32 -2.368 -1.697 13.226 231 1HB ASN 32 HB2 ASN 32 -2.771 0.206 14.866 232 2HB ASN 32 HB1 ASN 32 -4.393 0.279 14.140 233 1HD2 ASN 32 HD21 ASN 32 -5.913 -1.226 14.596 234 2HD2 ASN 32 HD22 ASN 32 -5.635 -2.432 15.780 235 H MET 33 H MET 33 -4.847 0.373 11.807 236 HA MET 33 HA MET 33 -6.812 -1.704 11.696 237 1HB MET 33 HB2 MET 33 -6.740 0.858 10.099 238 2HB MET 33 HB1 MET 33 -8.136 -0.176 10.346 239 1HG MET 33 HG2 MET 33 -6.662 1.381 12.402 240 2HG MET 33 HG1 MET 33 -8.256 1.785 11.747 241 1HE MET 33 HE1 MET 33 -7.780 1.734 14.825 242 2HE MET 33 HE2 MET 33 -9.143 0.788 15.417 243 3HE MET 33 HE3 MET 33 -9.382 1.970 14.128 244 H PHE 34 H PHE 34 -4.350 -0.444 9.605 245 HA PHE 34 HA PHE 34 -5.131 -1.780 7.267 246 1HB PHE 34 HB2 PHE 34 -3.507 -0.027 7.078 247 2HB PHE 34 HB1 PHE 34 -2.439 -0.783 8.228 248 HD1 PHE 34 HD1 PHE 34 -0.755 -2.220 7.516 249 HD2 PHE 34 HD2 PHE 34 -3.921 -1.265 4.807 250 HE1 PHE 34 HE1 PHE 34 0.445 -3.358 5.689 251 HE2 PHE 34 HE2 PHE 34 -2.724 -2.396 3.005 252 HZ PHE 34 HZ PHE 34 -0.545 -3.446 3.434 253 H THR 35 H THR 35 -2.730 -2.669 9.710 254 HA THR 35 HA THR 35 -2.377 -5.179 8.470 255 HB THR 35 HB THR 35 -0.473 -4.295 9.671 256 HG1 THR 35 HG1 THR 35 -1.536 -6.740 10.169 257 1HG2 THR 35 HG21 THR 35 -1.602 -3.086 11.431 258 2HG2 THR 35 HG22 THR 35 -0.428 -4.202 12.142 259 3HG2 THR 35 HG23 THR 35 -2.156 -4.594 12.163 260 H PHE 36 H PHE 36 -4.512 -4.032 10.905 261 HA PHE 36 HA PHE 36 -5.274 -6.544 11.902 262 1HB PHE 36 HB2 PHE 36 -5.933 -4.711 13.228 263 2HB PHE 36 HB1 PHE 36 -6.625 -3.838 11.893 264 HD1 PHE 36 HD1 PHE 36 -7.084 -7.239 13.417 265 HD2 PHE 36 HD2 PHE 36 -8.912 -3.676 12.010 266 HE1 PHE 36 HE1 PHE 36 -9.290 -8.144 14.036 267 HE2 PHE 36 HE2 PHE 36 -11.135 -4.571 12.617 268 HZ PHE 36 HZ PHE 36 -11.319 -6.809 13.630 269 H HIS 37 H HIS 37 -6.770 -4.496 9.374 270 HA HIS 37 HA HIS 37 -8.635 -6.533 8.790 271 1HB HIS 37 HB2 HIS 37 -9.604 -5.099 7.206 272 2HB HIS 37 HB1 HIS 37 -8.765 -3.969 8.255 273 HD1 HIS 37 HD1 HIS 37 -7.109 -2.415 7.135 274 HD2 HIS 37 HD2 HIS 37 -8.330 -5.537 4.685 275 HE1 HIS 37 HE1 HIS 37 -6.230 -1.865 4.823 276 H VAL 38 H VAL 38 -5.447 -5.865 7.731 277 HA VAL 38 HA VAL 38 -5.443 -7.594 5.489 278 HB VAL 38 HB VAL 38 -3.187 -6.613 7.240 279 1HG1 VAL 38 HG11 VAL 38 -1.612 -7.533 5.568 280 2HG1 VAL 38 HG12 VAL 38 -2.972 -8.266 4.711 281 3HG1 VAL 38 HG13 VAL 38 -2.560 -8.806 6.342 282 1HG2 VAL 38 HG21 VAL 38 -3.937 -5.962 4.386 283 2HG2 VAL 38 HG22 VAL 38 -2.556 -5.302 5.261 284 3HG2 VAL 38 HG23 VAL 38 -4.195 -4.949 5.801 285 H ASP 39 H ASP 39 -4.389 -8.079 8.858 286 HA ASP 39 HA ASP 39 -3.700 -10.792 8.576 287 1HB ASP 39 HB2 ASP 39 -3.075 -9.350 10.504 288 2HB ASP 39 HB1 ASP 39 -4.750 -9.389 11.042 289 H SER 40 H SER 40 -6.693 -9.190 9.029 290 HA SER 40 HA SER 40 -8.174 -11.488 9.820 291 1HB SER 40 HB2 SER 40 -8.772 -9.196 10.528 292 2HB SER 40 HB1 SER 40 -9.073 -8.767 8.856 293 HG SER 40 HG SER 40 -10.832 -10.137 8.800 294 H GLU 41 H GLU 41 -7.840 -9.610 6.786 295 HA GLU 41 HA GLU 41 -9.651 -11.569 5.545 296 1HB GLU 41 HB2 GLU 41 -8.883 -8.849 4.527 297 2HB GLU 41 HB1 GLU 41 -10.095 -9.910 3.829 298 1HG GLU 41 HG2 GLU 41 -10.165 -8.558 6.507 299 2HG GLU 41 HG1 GLU 41 -11.209 -8.221 5.122 300 H HIS 42 H HIS 42 -6.424 -10.273 5.220 301 HA HIS 42 HA HIS 42 -5.869 -12.239 3.183 302 1HB HIS 42 HB2 HIS 42 -4.331 -10.037 2.455 303 2HB HIS 42 HB1 HIS 42 -5.647 -10.718 1.517 304 HD1 HIS 42 HD1 HIS 42 -7.949 -9.334 1.693 305 HD2 HIS 42 HD2 HIS 42 -4.686 -7.527 3.511 306 HE1 HIS 42 HE1 HIS 42 -8.631 -6.939 2.075 307 HA PRO 43 HA PRO 43 -2.823 -11.766 6.761 308 1HB PRO 43 HB2 PRO 43 -2.791 -14.398 7.501 309 2HB PRO 43 HB1 PRO 43 -3.909 -13.207 8.165 310 1HG PRO 43 HG2 PRO 43 -4.363 -15.203 5.980 311 2HG PRO 43 HG1 PRO 43 -5.418 -14.761 7.337 312 1HD PRO 43 HD2 PRO 43 -5.834 -13.769 4.864 313 2HD PRO 43 HD1 PRO 43 -6.120 -12.810 6.325 314 H ASN 44 H ASN 44 -3.045 -14.281 4.294 315 HA ASN 44 HA ASN 44 -0.171 -13.953 3.904 316 1HB ASN 44 HB2 ASN 44 -0.436 -16.150 4.975 317 2HB ASN 44 HB1 ASN 44 -1.598 -16.623 3.737 318 1HD2 ASN 44 HD21 ASN 44 1.789 -15.996 4.396 319 2HD2 ASN 44 HD22 ASN 44 2.390 -16.676 2.946 320 H VAL 45 H VAL 45 -0.002 -12.934 2.147 321 HA VAL 45 HA VAL 45 -1.688 -13.749 -0.056 322 HB VAL 45 HB VAL 45 -1.145 -11.342 -0.934 323 1HG1 VAL 45 HG11 VAL 45 -3.354 -12.205 -0.384 324 2HG1 VAL 45 HG12 VAL 45 -3.175 -10.540 0.179 325 3HG1 VAL 45 HG13 VAL 45 -3.071 -11.885 1.327 326 1HG2 VAL 45 HG21 VAL 45 -0.980 -9.713 0.867 327 2HG2 VAL 45 HG22 VAL 45 0.429 -10.785 0.884 328 3HG2 VAL 45 HG23 VAL 45 -0.879 -11.010 2.051 329 H VAL 46 H VAL 46 -0.797 -14.518 -1.719 330 HA VAL 46 HA VAL 46 1.912 -13.797 -2.317 331 HB VAL 46 HB VAL 46 2.363 -16.208 -3.051 332 1HG1 VAL 46 HG11 VAL 46 2.764 -17.087 -0.788 333 2HG1 VAL 46 HG12 VAL 46 1.757 -15.801 -0.125 334 3HG1 VAL 46 HG13 VAL 46 3.266 -15.404 -0.942 335 1HG2 VAL 46 HG21 VAL 46 -0.129 -16.791 -1.454 336 2HG2 VAL 46 HG22 VAL 46 0.958 -17.988 -2.155 337 3HG2 VAL 46 HG23 VAL 46 0.013 -16.929 -3.203 338 H LEU 47 H LEU 47 2.164 -13.341 -4.553 339 HA LEU 47 HA LEU 47 0.246 -14.483 -6.350 340 1HB LEU 47 HB2 LEU 47 -0.884 -12.444 -5.501 341 2HB LEU 47 HB1 LEU 47 0.403 -11.472 -6.181 342 HG LEU 47 HG LEU 47 -0.238 -12.216 -8.445 343 1HD1 LEU 47 HD11 LEU 47 -1.166 -14.393 -7.909 344 2HD1 LEU 47 HD12 LEU 47 -2.361 -13.415 -8.759 345 3HD1 LEU 47 HD13 LEU 47 -2.485 -13.637 -7.017 346 1HD2 LEU 47 HD21 LEU 47 -1.179 -10.164 -7.584 347 2HD2 LEU 47 HD22 LEU 47 -2.464 -11.062 -6.782 348 3HD2 LEU 47 HD23 LEU 47 -2.389 -11.018 -8.544 349 H ASN 48 H ASN 48 2.032 -11.524 -7.219 350 HA ASN 48 HA ASN 48 3.908 -13.203 -8.688 351 1HB ASN 48 HB2 ASN 48 2.051 -12.857 -10.260 352 2HB ASN 48 HB1 ASN 48 2.183 -11.121 -10.063 353 1HD2 ASN 48 HD21 ASN 48 3.548 -13.943 -11.541 354 2HD2 ASN 48 HD22 ASN 48 4.639 -13.119 -12.585 355 H SER 49 H SER 49 3.261 -9.674 -9.062 356 HA SER 49 HA SER 49 5.625 -9.095 -7.542 357 1HB SER 49 HB2 SER 49 6.650 -7.786 -9.454 358 2HB SER 49 HB1 SER 49 6.696 -9.541 -9.637 359 HG SER 49 HG SER 49 4.915 -9.401 -11.013 360 H SER 50 H SER 50 5.554 -7.031 -6.622 361 HA SER 50 HA SER 50 3.781 -5.026 -7.497 362 1HB SER 50 HB2 SER 50 3.280 -6.632 -5.000 363 2HB SER 50 HB1 SER 50 2.508 -5.104 -5.421 364 HG SER 50 HG SER 50 2.409 -6.838 -7.442 365 H TYR 51 H TYR 51 3.821 -3.346 -5.608 366 HA TYR 51 HA TYR 51 6.531 -3.281 -4.528 367 1HB TYR 51 HB2 TYR 51 4.787 -1.184 -5.712 368 2HB TYR 51 HB1 TYR 51 5.989 -0.761 -4.516 369 HD1 TYR 51 HD1 TYR 51 6.633 -3.384 -7.038 370 HD2 TYR 51 HD2 TYR 51 7.132 0.692 -5.972 371 HE1 TYR 51 HE1 TYR 51 8.279 -3.130 -8.841 372 HE2 TYR 51 HE2 TYR 51 8.792 0.961 -7.773 373 HH TYR 51 HH TYR 51 10.286 -0.385 -9.078 374 H VAL 52 H VAL 52 6.777 -2.773 -2.496 375 HA VAL 52 HA VAL 52 4.446 -2.032 -0.879 376 HB VAL 52 HB VAL 52 4.922 -4.444 -0.592 377 1HG1 VAL 52 HG11 VAL 52 7.595 -3.570 0.334 378 2HG1 VAL 52 HG12 VAL 52 7.233 -4.384 -1.199 379 3HG1 VAL 52 HG13 VAL 52 6.969 -5.217 0.329 380 1HG2 VAL 52 HG21 VAL 52 4.137 -3.322 1.379 381 2HG2 VAL 52 HG22 VAL 52 5.787 -2.872 1.809 382 3HG2 VAL 52 HG23 VAL 52 5.300 -4.572 1.814 383 H CYS 53 H CYS 53 4.897 -0.507 0.629 384 HA CYS 53 HA CYS 53 7.507 0.818 0.576 385 1HB CYS 53 HB2 CYS 53 5.520 2.194 0.758 386 2HB CYS 53 HB1 CYS 53 4.953 1.295 2.148 387 H VAL 54 H VAL 54 9.054 -0.436 1.548 388 HA VAL 54 HA VAL 54 8.680 -2.341 3.522 389 HB VAL 54 HB VAL 54 11.163 -0.905 3.891 390 1HG1 VAL 54 HG11 VAL 54 10.773 -3.179 4.548 391 2HG1 VAL 54 HG12 VAL 54 12.109 -3.028 3.362 392 3HG1 VAL 54 HG13 VAL 54 10.495 -3.531 2.831 393 1HG2 VAL 54 HG21 VAL 54 11.110 -0.163 1.730 394 2HG2 VAL 54 HG22 VAL 54 10.296 -1.558 1.148 395 3HG2 VAL 54 HG23 VAL 54 12.014 -1.672 1.586 396 H GLU 55 H GLU 55 9.069 1.034 3.686 397 HA GLU 55 HA GLU 55 9.799 1.390 6.326 398 1HB GLU 55 HB2 GLU 55 8.045 3.254 4.734 399 2HB GLU 55 HB1 GLU 55 9.134 3.666 6.047 400 1HG GLU 55 HG2 GLU 55 10.031 2.594 3.380 401 2HG GLU 55 HG1 GLU 55 9.941 4.301 3.790 402 H CYS 56 H CYS 56 6.749 1.193 4.720 403 HA CYS 56 HA CYS 56 5.245 1.434 7.282 404 1HB CYS 56 HB2 CYS 56 4.186 1.459 4.478 405 2HB CYS 56 HB1 CYS 56 3.315 1.944 5.925 406 H ASN 57 H ASN 57 6.361 -0.859 5.163 407 HA ASN 57 HA ASN 57 5.835 -2.910 4.428 408 1HB ASN 57 HB2 ASN 57 4.996 -2.875 7.259 409 2HB ASN 57 HB1 ASN 57 4.824 -4.396 6.334 410 1HD2 ASN 57 HD21 ASN 57 7.310 -3.879 4.821 411 2HD2 ASN 57 HD22 ASN 57 8.555 -4.183 5.951 412 H PHE 58 H PHE 58 4.254 -1.531 3.095 413 HA PHE 58 HA PHE 58 1.616 -2.753 3.352 414 1HB PHE 58 HB2 PHE 58 0.413 -0.831 3.536 415 2HB PHE 58 HB1 PHE 58 1.918 -0.121 4.086 416 HD1 PHE 58 HD1 PHE 58 3.080 1.469 2.678 417 HD2 PHE 58 HD2 PHE 58 -0.460 -0.398 1.324 418 HE1 PHE 58 HE1 PHE 58 2.868 3.194 0.853 419 HE2 PHE 58 HE2 PHE 58 -0.688 1.305 -0.483 420 HZ PHE 58 HZ PHE 58 0.966 3.096 -0.708 421 H LEU 59 H LEU 59 0.980 -3.627 1.575 422 HA LEU 59 HA LEU 59 2.520 -3.224 -0.862 423 1HB LEU 59 HB2 LEU 59 0.966 -5.411 0.326 424 2HB LEU 59 HB1 LEU 59 0.763 -5.218 -1.396 425 HG LEU 59 HG LEU 59 3.460 -5.609 -0.092 426 1HD1 LEU 59 HD11 LEU 59 1.595 -7.554 -1.423 427 2HD1 LEU 59 HD12 LEU 59 1.928 -7.487 0.302 428 3HD1 LEU 59 HD13 LEU 59 3.223 -7.933 -0.823 429 1HD2 LEU 59 HD21 LEU 59 4.099 -6.207 -2.408 430 2HD2 LEU 59 HD22 LEU 59 3.519 -4.555 -2.313 431 3HD2 LEU 59 HD23 LEU 59 2.479 -5.810 -2.961 432 H THR 60 H THR 60 1.540 -2.407 -2.664 433 HA THR 60 HA THR 60 -1.306 -1.887 -2.525 434 HB THR 60 HB THR 60 -0.450 0.225 -2.018 435 HG1 THR 60 HG1 THR 60 -1.882 0.665 -3.658 436 1HG2 THR 60 HG21 THR 60 1.933 -0.302 -2.452 437 2HG2 THR 60 HG22 THR 60 1.500 1.282 -3.025 438 3HG2 THR 60 HG23 THR 60 1.669 -0.047 -4.175 439 H LYS 61 H LYS 61 -2.079 -1.283 -4.778 440 HA LYS 61 HA LYS 61 -1.197 -3.516 -6.423 441 1HB LYS 61 HB2 LYS 61 -3.282 -3.146 -7.688 442 2HB LYS 61 HB1 LYS 61 -3.567 -3.405 -5.973 443 1HG LYS 61 HG2 LYS 61 -3.826 -0.972 -5.685 444 2HG LYS 61 HG1 LYS 61 -3.589 -0.764 -7.416 445 1HD LYS 61 HD2 LYS 61 -5.944 -0.709 -6.965 446 2HD LYS 61 HD1 LYS 61 -5.574 -2.214 -7.804 447 1HE LYS 61 HE2 LYS 61 -7.159 -2.556 -5.957 448 2HE LYS 61 HE1 LYS 61 -5.656 -3.429 -5.681 449 1HZ LYS 61 HZ1 LYS 61 -4.964 -1.776 -4.128 450 2HZ LYS 61 HZ2 LYS 61 -6.510 -2.172 -3.668 451 3HZ LYS 61 HZ3 LYS 61 -6.193 -0.746 -4.527 452 H ARG 62 H ARG 62 -0.323 -0.408 -6.197 453 HA ARG 62 HA ARG 62 0.464 -0.327 -8.996 454 1HB ARG 62 HB2 ARG 62 -0.143 2.090 -9.072 455 2HB ARG 62 HB1 ARG 62 -1.522 1.002 -8.984 456 1HG ARG 62 HG2 ARG 62 -1.650 1.453 -6.545 457 2HG ARG 62 HG1 ARG 62 -0.365 2.645 -6.742 458 1HD ARG 62 HD2 ARG 62 -2.628 3.614 -6.723 459 2HD ARG 62 HD1 ARG 62 -1.733 3.975 -8.190 460 HE ARG 62 HE ARG 62 -3.180 2.633 -9.409 461 1HH1 ARG 62 HH11 ARG 62 -4.023 2.387 -5.966 462 2HH1 ARG 62 HH12 ARG 62 -5.406 1.507 -6.150 463 1HH2 ARG 62 HH21 ARG 62 -5.123 1.474 -9.775 464 2HH2 ARG 62 HH22 ARG 62 -6.126 0.951 -8.503 465 H TYR 63 H TYR 63 2.432 0.620 -9.339 466 HA TYR 63 HA TYR 63 4.246 0.757 -7.177 467 1HB TYR 63 HB2 TYR 63 5.917 1.390 -8.843 468 2HB TYR 63 HB1 TYR 63 4.878 0.149 -9.530 469 HD1 TYR 63 HD1 TYR 63 6.189 3.467 -9.920 470 HD2 TYR 63 HD2 TYR 63 3.019 0.902 -11.129 471 HE1 TYR 63 HE1 TYR 63 5.706 4.960 -11.806 472 HE2 TYR 63 HE2 TYR 63 2.534 2.390 -13.023 473 HH TYR 63 HH TYR 63 2.854 4.803 -13.530 474 H ASP 64 H ASP 64 2.173 2.943 -8.659 475 HA ASP 64 HA ASP 64 3.301 5.510 -8.388 476 1HB ASP 64 HB2 ASP 64 0.406 4.789 -8.144 477 2HB ASP 64 HB1 ASP 64 1.117 6.286 -8.734 478 H ALA 65 H ALA 65 1.406 3.590 -6.134 479 HA ALA 65 HA ALA 65 0.865 5.721 -4.372 480 1HB ALA 65 HB1 ALA 65 0.217 3.892 -2.803 481 2HB ALA 65 HB2 ALA 65 0.857 2.744 -4.000 482 3HB ALA 65 HB3 ALA 65 -0.499 3.772 -4.411 483 H LEU 66 H LEU 66 3.569 3.705 -4.830 484 HA LEU 66 HA LEU 66 4.860 4.310 -2.321 485 1HB LEU 66 HB2 LEU 66 5.987 3.167 -4.829 486 2HB LEU 66 HB1 LEU 66 6.823 3.218 -3.291 487 HG LEU 66 HG LEU 66 6.129 1.028 -3.485 488 1HD1 LEU 66 HD11 LEU 66 4.412 0.669 -1.797 489 2HD1 LEU 66 HD12 LEU 66 3.958 2.366 -1.925 490 3HD1 LEU 66 HD13 LEU 66 5.560 1.928 -1.313 491 1HD2 LEU 66 HD21 LEU 66 3.441 2.001 -4.363 492 2HD2 LEU 66 HD22 LEU 66 3.928 0.306 -4.199 493 3HD2 LEU 66 HD23 LEU 66 4.706 1.359 -5.392 494 H SER 67 H SER 67 4.769 5.508 -5.517 495 HA SER 67 HA SER 67 7.112 7.145 -5.379 496 1HB SER 67 HB2 SER 67 4.844 6.724 -7.173 497 2HB SER 67 HB1 SER 67 5.807 8.190 -7.426 498 HG SER 67 HG SER 67 7.120 5.705 -7.113 499 H GLU 68 H GLU 68 3.650 7.762 -5.219 500 HA GLU 68 HA GLU 68 4.091 10.484 -4.539 501 1HB GLU 68 HB2 GLU 68 1.567 9.275 -3.665 502 2HB GLU 68 HB1 GLU 68 1.888 10.772 -4.537 503 1HG GLU 68 HG2 GLU 68 2.483 9.232 -6.537 504 2HG GLU 68 HG1 GLU 68 1.674 7.998 -5.628 505 H HIS 69 H HIS 69 4.209 7.628 -2.864 506 HA HIS 69 HA HIS 69 3.372 8.146 -0.300 507 1HB HIS 69 HB2 HIS 69 4.319 6.026 -1.369 508 2HB HIS 69 HB1 HIS 69 5.889 6.642 -0.808 509 HD1 HIS 69 HD1 HIS 69 2.485 5.724 0.576 510 HD2 HIS 69 HD2 HIS 69 6.470 5.887 1.601 511 HE1 HIS 69 HE1 HIS 69 2.619 4.740 2.894 512 H ASN 70 H ASN 70 6.822 8.590 -1.359 513 HA ASN 70 HA ASN 70 7.477 10.095 1.016 514 1HB ASN 70 HB2 ASN 70 9.626 10.498 -0.109 515 2HB ASN 70 HB1 ASN 70 9.212 8.800 -0.034 516 1HD2 ASN 70 HD21 ASN 70 11.016 9.905 -1.625 517 2HD2 ASN 70 HD22 ASN 70 10.586 9.667 -3.306 518 H LEU 71 H LEU 71 5.882 10.893 -1.730 519 HA LEU 71 HA LEU 71 6.672 13.640 -1.827 520 1HB LEU 71 HB2 LEU 71 5.908 12.818 -3.879 521 2HB LEU 71 HB1 LEU 71 4.669 11.860 -3.126 522 HG LEU 71 HG LEU 71 3.244 13.700 -2.910 523 1HD1 LEU 71 HD11 LEU 71 5.482 15.381 -4.161 524 2HD1 LEU 71 HD12 LEU 71 4.928 15.516 -2.490 525 3HD1 LEU 71 HD13 LEU 71 3.855 15.970 -3.812 526 1HD2 LEU 71 HD21 LEU 71 3.195 12.556 -5.002 527 2HD2 LEU 71 HD22 LEU 71 4.475 13.584 -5.647 528 3HD2 LEU 71 HD23 LEU 71 2.892 14.271 -5.284 529 H LYS 72 H LYS 72 3.849 11.855 -0.674 530 HA LYS 72 HA LYS 72 3.117 14.212 0.886 531 1HB LYS 72 HB2 LYS 72 0.824 12.724 0.789 532 2HB LYS 72 HB1 LYS 72 1.168 14.136 -0.238 533 1HG LYS 72 HG2 LYS 72 2.207 12.365 -1.797 534 2HG LYS 72 HG1 LYS 72 1.407 11.188 -0.822 535 1HD LYS 72 HD2 LYS 72 0.064 13.451 -2.295 536 2HD LYS 72 HD1 LYS 72 0.035 11.739 -2.729 537 1HE LYS 72 HE2 LYS 72 -1.158 11.255 -0.619 538 2HE LYS 72 HE1 LYS 72 -1.118 12.967 -0.229 539 1HZ LYS 72 HZ1 LYS 72 -3.247 12.237 -1.184 540 2HZ LYS 72 HZ2 LYS 72 -2.458 11.859 -2.626 541 3HZ LYS 72 HZ3 LYS 72 -2.514 13.445 -2.090 542 H TYR 73 H TYR 73 3.389 10.806 1.097 543 HA TYR 73 HA TYR 73 2.343 10.584 3.798 544 1HB TYR 73 HB2 TYR 73 3.732 8.615 2.009 545 2HB TYR 73 HB1 TYR 73 3.083 8.174 3.590 546 HD1 TYR 73 HD1 TYR 73 1.209 6.843 3.315 547 HD2 TYR 73 HD2 TYR 73 1.793 10.063 0.630 548 HE1 TYR 73 HE1 TYR 73 -0.877 6.269 2.161 549 HE2 TYR 73 HE2 TYR 73 -0.272 9.533 -0.504 550 HH TYR 73 HH TYR 73 -1.714 7.678 -0.814 551 H HIS 74 H HIS 74 5.555 10.015 2.281 552 HA HIS 74 HA HIS 74 6.788 10.703 4.920 553 1HB HIS 74 HB2 HIS 74 7.970 9.069 2.642 554 2HB HIS 74 HB1 HIS 74 8.878 9.584 4.047 555 HD1 HIS 74 HD1 HIS 74 9.037 7.801 5.857 556 HD2 HIS 74 HD2 HIS 74 5.890 7.221 3.227 557 HE1 HIS 74 HE1 HIS 74 8.166 5.499 6.347 558 HA PRO 75 HA PRO 75 7.688 13.992 1.752 559 1HB PRO 75 HB2 PRO 75 6.958 16.127 3.170 560 2HB PRO 75 HB1 PRO 75 5.752 15.111 2.361 561 1HG PRO 75 HG2 PRO 75 6.635 15.034 5.240 562 2HG PRO 75 HG1 PRO 75 4.982 15.040 4.575 563 1HD PRO 75 HD2 PRO 75 6.242 12.748 5.339 564 2HD PRO 75 HD1 PRO 75 5.091 12.831 3.990 565 H GLY 76 H GLY 76 9.339 15.359 1.556 566 1HA GLY 76 HA2 GLY 76 10.859 16.805 3.136 567 2HA GLY 76 HA1 GLY 76 11.417 15.194 3.590 568 H GLU 77 H GLU 77 11.352 13.892 1.193 569 HA GLU 77 HA GLU 77 12.821 15.347 -0.791 570 1HB GLU 77 HB2 GLU 77 14.811 13.865 -0.634 571 2HB GLU 77 HB1 GLU 77 14.632 14.878 0.785 572 1HG GLU 77 HG2 GLU 77 14.979 12.972 1.940 573 2HG GLU 77 HG1 GLU 77 13.294 12.630 1.505 574 H GLU 78 H GLU 78 13.505 13.606 -2.502 575 HA GLU 78 HA GLU 78 11.495 11.492 -2.472 576 1HB GLU 78 HB2 GLU 78 10.661 13.367 -3.839 577 2HB GLU 78 HB1 GLU 78 12.179 13.255 -4.747 578 1HG GLU 78 HG2 GLU 78 11.579 11.135 -5.657 579 2HG GLU 78 HG1 GLU 78 10.193 11.008 -4.576 580 H ASN 79 H ASN 79 13.095 10.042 -1.952 581 HA ASN 79 HA ASN 79 14.681 9.093 -4.202 582 1HB ASN 79 HB2 ASN 79 15.717 9.737 -1.467 583 2HB ASN 79 HB1 ASN 79 16.666 8.845 -2.674 584 1HD2 ASN 79 HD21 ASN 79 15.435 11.797 -1.625 585 2HD2 ASN 79 HD22 ASN 79 16.149 12.891 -2.771 586 H PHE 80 H PHE 80 13.338 7.337 -4.229 587 HA PHE 80 HA PHE 80 13.310 5.623 -1.856 588 1HB PHE 80 HB2 PHE 80 11.392 6.162 -3.996 589 2HB PHE 80 HB1 PHE 80 11.699 4.454 -3.764 590 HD1 PHE 80 HD1 PHE 80 9.833 7.241 -2.709 591 HD2 PHE 80 HD2 PHE 80 11.487 3.598 -1.327 592 HE1 PHE 80 HE1 PHE 80 8.152 7.158 -0.908 593 HE2 PHE 80 HE2 PHE 80 9.810 3.499 0.447 594 HZ PHE 80 HZ PHE 80 8.138 5.273 0.663 595 H LYS 81 H LYS 81 14.007 3.508 -2.038 596 HA LYS 81 HA LYS 81 15.590 2.862 -4.433 597 1HB LYS 81 HB2 LYS 81 17.226 2.000 -3.026 598 2HB LYS 81 HB1 LYS 81 16.465 3.115 -1.895 599 1HG LYS 81 HG2 LYS 81 15.170 1.402 -0.904 600 2HG LYS 81 HG1 LYS 81 15.657 0.248 -2.132 601 1HD LYS 81 HD2 LYS 81 18.043 0.674 -1.317 602 2HD LYS 81 HD1 LYS 81 17.237 1.413 0.083 603 1HE LYS 81 HE2 LYS 81 16.008 -0.633 0.502 604 2HE LYS 81 HE1 LYS 81 16.717 -1.346 -0.944 605 1HZ LYS 81 HZ1 LYS 81 17.805 -2.106 1.109 606 2HZ LYS 81 HZ2 LYS 81 18.277 -0.527 1.468 607 3HZ LYS 81 HZ3 LYS 81 18.884 -1.297 0.112 608 H LEU 82 H LEU 82 15.603 0.372 -4.758 609 HA LEU 82 HA LEU 82 13.091 -0.763 -3.843 610 1HB LEU 82 HB2 LEU 82 12.786 -1.897 -6.021 611 2HB LEU 82 HB1 LEU 82 12.666 -0.163 -6.148 612 HG LEU 82 HG LEU 82 15.208 -1.605 -6.852 613 1HD1 LEU 82 HD11 LEU 82 12.835 -0.997 -8.640 614 2HD1 LEU 82 HD12 LEU 82 13.395 -2.608 -8.184 615 3HD1 LEU 82 HD13 LEU 82 14.402 -1.576 -9.202 616 1HD2 LEU 82 HD21 LEU 82 15.326 0.837 -6.612 617 2HD2 LEU 82 HD22 LEU 82 14.014 1.015 -7.776 618 3HD2 LEU 82 HD23 LEU 82 15.568 0.353 -8.291 619 H THR 83 H THR 83 13.187 -2.837 -3.165 620 HA THR 83 HA THR 83 15.556 -4.404 -3.699 621 HB THR 83 HB THR 83 16.152 -3.199 -1.668 622 HG1 THR 83 HG1 THR 83 15.433 -5.472 -0.345 623 1HG2 THR 83 HG21 THR 83 13.918 -2.495 -0.955 624 2HG2 THR 83 HG22 THR 83 14.796 -3.236 0.381 625 3HG2 THR 83 HG23 THR 83 13.547 -4.147 -0.469 626 H MET 84 H MET 84 14.810 -6.615 -3.954 627 HA MET 84 HA MET 84 11.957 -6.901 -3.235 628 1HB MET 84 HB2 MET 84 12.526 -7.530 -5.575 629 2HB MET 84 HB1 MET 84 13.687 -8.698 -4.926 630 1HG MET 84 HG2 MET 84 11.753 -9.798 -3.736 631 2HG MET 84 HG1 MET 84 10.692 -8.762 -4.682 632 1HE MET 84 HE1 MET 84 12.081 -8.714 -7.543 633 2HE MET 84 HE2 MET 84 10.360 -8.999 -7.313 634 3HE MET 84 HE3 MET 84 11.308 -10.091 -8.326 635 H VAL 85 H VAL 85 11.919 -7.472 -1.172 636 HA VAL 85 HA VAL 85 12.876 -10.119 -0.643 637 HB VAL 85 HB VAL 85 13.507 -9.183 1.785 638 1HG1 VAL 85 HG11 VAL 85 15.866 -8.966 1.069 639 2HG1 VAL 85 HG12 VAL 85 15.316 -8.902 -0.615 640 3HG1 VAL 85 HG13 VAL 85 15.071 -10.363 0.335 641 1HG2 VAL 85 HG21 VAL 85 14.602 -6.969 1.677 642 2HG2 VAL 85 HG22 VAL 85 12.882 -6.840 1.289 643 3HG2 VAL 85 HG23 VAL 85 14.082 -6.814 -0.003 644 H LYS 86 H LYS 86 10.867 -10.993 -0.333 645 HA LYS 86 HA LYS 86 9.411 -9.818 1.859 646 1HB LYS 86 HB2 LYS 86 8.451 -9.043 -0.453 647 2HB LYS 86 HB1 LYS 86 7.809 -10.688 -0.542 648 1HG LYS 86 HG2 LYS 86 6.137 -9.279 0.183 649 2HG LYS 86 HG1 LYS 86 6.625 -10.297 1.532 650 1HD LYS 86 HD2 LYS 86 7.784 -8.579 2.648 651 2HD LYS 86 HD1 LYS 86 7.938 -7.621 1.186 652 1HE LYS 86 HE2 LYS 86 5.724 -6.766 1.400 653 2HE LYS 86 HE1 LYS 86 5.263 -8.016 2.561 654 1HZ LYS 86 HZ1 LYS 86 6.783 -7.051 4.089 655 2HZ LYS 86 HZ2 LYS 86 5.703 -5.879 3.543 656 3HZ LYS 86 HZ3 LYS 86 7.315 -5.932 2.935 657 H ARG 87 H ARG 87 9.294 -11.396 3.266 658 HA ARG 87 HA ARG 87 9.287 -14.064 2.128 659 1HB ARG 87 HB2 ARG 87 10.441 -13.164 4.770 660 2HB ARG 87 HB1 ARG 87 10.308 -14.851 4.281 661 1HG ARG 87 HG2 ARG 87 12.480 -14.397 3.653 662 2HG ARG 87 HG1 ARG 87 11.613 -14.020 2.164 663 1HD ARG 87 HD2 ARG 87 13.144 -12.254 2.485 664 2HD ARG 87 HD1 ARG 87 11.567 -11.618 2.936 665 HE ARG 87 HE ARG 87 12.920 -12.710 5.168 666 1HH1 ARG 87 HH11 ARG 87 12.630 -9.719 3.285 667 2HH1 ARG 87 HH12 ARG 87 13.578 -8.798 4.347 668 1HH2 ARG 87 HH21 ARG 87 14.190 -11.400 6.647 669 2HH2 ARG 87 HH22 ARG 87 14.471 -9.763 6.298 670 H ASN 88 H ASN 88 8.232 -15.728 3.371 671 HA ASN 88 HA ASN 88 6.382 -16.669 4.205 672 1HB ASN 88 HB2 ASN 88 6.709 -15.303 6.270 673 2HB ASN 88 HB1 ASN 88 5.835 -13.976 5.537 674 1HD2 ASN 88 HD21 ASN 88 5.451 -15.637 8.003 675 2HD2 ASN 88 HD22 ASN 88 3.824 -16.184 7.931 676 H ASN 89 H ASN 89 5.867 -13.513 2.947 677 HA ASN 89 HA ASN 89 3.360 -14.140 1.593 678 1HB ASN 89 HB2 ASN 89 5.177 -11.715 1.357 679 2HB ASN 89 HB1 ASN 89 3.536 -11.834 0.754 680 1HD2 ASN 89 HD21 ASN 89 5.551 -11.271 3.502 681 2HD2 ASN 89 HD22 ASN 89 4.278 -10.804 4.568 682 H GLN 90 H GLN 90 4.169 -12.532 -0.784 683 HA GLN 90 HA GLN 90 5.602 -14.588 -2.285 684 1HB GLN 90 HB2 GLN 90 4.976 -13.308 -4.234 685 2HB GLN 90 HB1 GLN 90 3.512 -13.675 -3.291 686 1HG GLN 90 HG2 GLN 90 4.961 -11.080 -3.192 687 2HG GLN 90 HG1 GLN 90 3.718 -11.407 -4.404 688 1HE2 GLN 90 HE21 GLN 90 4.441 -10.647 -1.138 689 2HE2 GLN 90 HE22 GLN 90 2.794 -10.475 -0.612 690 H THR 91 H THR 91 7.125 -13.502 -4.016 691 HA THR 91 HA THR 91 8.750 -11.645 -2.536 692 HB THR 91 HB THR 91 10.304 -12.070 -4.596 693 HG1 THR 91 HG1 THR 91 9.688 -13.595 -5.940 694 1HG2 THR 91 HG21 THR 91 10.724 -12.916 -2.291 695 2HG2 THR 91 HG22 THR 91 11.205 -14.091 -3.507 696 3HG2 THR 91 HG23 THR 91 9.696 -14.300 -2.630 697 H ILE 92 H ILE 92 8.330 -9.690 -2.741 698 HA ILE 92 HA ILE 92 7.641 -8.494 -5.244 699 HB ILE 92 HB ILE 92 6.053 -6.954 -3.946 700 1HG1 ILE 92 HG12 ILE 92 4.843 -8.354 -2.093 701 2HG1 ILE 92 HG11 ILE 92 6.390 -9.157 -2.019 702 1HG2 ILE 92 HG21 ILE 92 5.199 -8.346 -5.607 703 2HG2 ILE 92 HG22 ILE 92 4.137 -8.476 -4.202 704 3HG2 ILE 92 HG23 ILE 92 5.294 -9.764 -4.577 705 1HD1 ILE 92 HD11 ILE 92 6.242 -7.324 -0.413 706 2HD1 ILE 92 HD12 ILE 92 6.131 -6.188 -1.761 707 3HD1 ILE 92 HD13 ILE 92 7.566 -7.172 -1.552 708 H PHE 93 H PHE 93 7.915 -6.086 -5.181 709 HA PHE 93 HA PHE 93 10.647 -5.812 -4.215 710 1HB PHE 93 HB2 PHE 93 8.879 -4.099 -5.944 711 2HB PHE 93 HB1 PHE 93 10.542 -3.714 -5.592 712 HD1 PHE 93 HD1 PHE 93 12.320 -5.007 -6.657 713 HD2 PHE 93 HD2 PHE 93 8.227 -5.708 -7.551 714 HE1 PHE 93 HE1 PHE 93 12.976 -6.171 -8.731 715 HE2 PHE 93 HE2 PHE 93 8.866 -6.880 -9.619 716 HZ PHE 93 HZ PHE 93 11.244 -7.108 -10.212 717 H GLU 94 H GLU 94 10.979 -4.778 -2.391 718 HA GLU 94 HA GLU 94 8.900 -3.181 -1.226 719 1HB GLU 94 HB2 GLU 94 11.564 -4.075 -0.051 720 2HB GLU 94 HB1 GLU 94 10.236 -3.318 0.801 721 1HG GLU 94 HG2 GLU 94 8.976 -5.434 -0.108 722 2HG GLU 94 HG1 GLU 94 10.611 -6.109 0.018 723 H GLN 95 H GLN 95 9.255 -1.071 -0.894 724 HA GLN 95 HA GLN 95 11.600 0.038 -2.275 725 1HB GLN 95 HB2 GLN 95 9.197 0.254 -3.283 726 2HB GLN 95 HB1 GLN 95 8.957 1.461 -2.023 727 1HG GLN 95 HG2 GLN 95 10.788 2.753 -2.857 728 2HG GLN 95 HG1 GLN 95 11.183 1.495 -4.016 729 1HE2 GLN 95 HE21 GLN 95 9.038 4.116 -3.210 730 2HE2 GLN 95 HE22 GLN 95 8.385 4.294 -4.778 731 H THR 96 H THR 96 12.966 0.899 -0.823 732 HA THR 96 HA THR 96 11.860 2.001 1.675 733 HB THR 96 HB THR 96 14.710 1.601 1.763 734 HG1 THR 96 HG1 THR 96 13.607 -0.906 1.715 735 1HG2 THR 96 HG21 THR 96 12.357 0.428 3.251 736 2HG2 THR 96 HG22 THR 96 13.325 1.790 3.739 737 3HG2 THR 96 HG23 THR 96 14.031 0.168 3.722 738 H ILE 97 H ILE 97 12.983 3.850 2.527 739 HA ILE 97 HA ILE 97 13.999 5.600 0.401 740 HB ILE 97 HB ILE 97 13.147 6.418 3.199 741 1HG1 ILE 97 HG12 ILE 97 11.359 6.459 0.804 742 2HG1 ILE 97 HG11 ILE 97 11.433 5.024 1.802 743 1HG2 ILE 97 HG21 ILE 97 13.035 7.868 0.518 744 2HG2 ILE 97 HG22 ILE 97 14.426 7.935 1.573 745 3HG2 ILE 97 HG23 ILE 97 12.894 8.570 2.138 746 1HD1 ILE 97 HD11 ILE 97 9.581 6.176 2.539 747 2HD1 ILE 97 HD12 ILE 97 10.336 7.733 2.393 748 3HD1 ILE 97 HD13 ILE 97 10.801 6.636 3.727 749 H ASN 98 H ASN 98 15.790 6.840 0.882 750 HA ASN 98 HA ASN 98 17.707 5.478 2.607 751 1HB ASN 98 HB2 ASN 98 19.331 7.035 1.396 752 2HB ASN 98 HB1 ASN 98 18.572 5.778 0.412 753 1HD2 ASN 98 HD21 ASN 98 17.051 8.825 1.439 754 2HD2 ASN 98 HD22 ASN 98 16.907 9.480 -0.120 755 H ASP 99 H ASP 99 15.484 7.602 3.294 756 HA ASP 99 HA ASP 99 17.170 9.258 5.036 757 1HB ASP 99 HB2 ASP 99 17.083 10.233 2.713 758 2HB ASP 99 HB1 ASP 99 15.404 10.593 3.034 759 H LEU 100 H LEU 100 13.929 9.058 3.590 760 HA LEU 100 HA LEU 100 12.621 10.301 5.813 761 1HB LEU 100 HB2 LEU 100 11.335 8.893 3.451 762 2HB LEU 100 HB1 LEU 100 10.673 10.099 4.519 763 HG LEU 100 HG LEU 100 13.061 10.930 2.990 764 1HD1 LEU 100 HD11 LEU 100 11.804 9.777 1.245 765 2HD1 LEU 100 HD12 LEU 100 11.617 11.497 1.057 766 3HD1 LEU 100 HD13 LEU 100 10.319 10.543 1.799 767 1HD2 LEU 100 HD21 LEU 100 11.879 13.000 2.952 768 2HD2 LEU 100 HD22 LEU 100 11.810 12.367 4.611 769 3HD2 LEU 100 HD23 LEU 100 10.420 12.218 3.513 770 H THR 101 H THR 101 13.965 7.565 5.758 771 HA THR 101 HA THR 101 12.173 5.505 6.389 772 HB THR 101 HB THR 101 15.103 5.863 6.984 773 HG1 THR 101 HG1 THR 101 13.805 4.866 4.693 774 1HG2 THR 101 HG21 THR 101 13.509 3.370 6.305 775 2HG2 THR 101 HG22 THR 101 14.070 3.779 7.923 776 3HG2 THR 101 HG23 THR 101 15.236 3.439 6.637 777 H PHE 102 H PHE 102 13.484 8.153 8.142 778 HA PHE 102 HA PHE 102 13.190 6.846 10.746 779 1HB PHE 102 HB2 PHE 102 14.399 9.521 10.022 780 2HB PHE 102 HB1 PHE 102 14.331 8.854 11.649 781 HD1 PHE 102 HD1 PHE 102 15.697 6.892 12.228 782 HD2 PHE 102 HD2 PHE 102 16.009 8.792 8.437 783 HE1 PHE 102 HE1 PHE 102 17.839 5.757 11.838 784 HE2 PHE 102 HE2 PHE 102 18.148 7.662 8.037 785 HZ PHE 102 HZ PHE 102 19.069 6.140 9.734 Start of MODEL 2 1 HA MET 1 HA MET 1 -24.878 20.695 -3.559 2 1HB MET 1 HB2 MET 1 -23.140 20.790 -6.059 3 2HB MET 1 HB1 MET 1 -24.806 20.256 -6.014 4 1HG MET 1 HG2 MET 1 -25.534 22.478 -5.390 5 2HG MET 1 HG1 MET 1 -23.865 23.031 -5.332 6 1HE MET 1 HE1 MET 1 -26.107 24.525 -7.000 7 2HE MET 1 HE2 MET 1 -25.241 24.863 -8.498 8 3HE MET 1 HE3 MET 1 -24.423 25.050 -6.947 9 H ALA 2 H ALA 2 -25.271 18.498 -4.720 10 HA ALA 2 HA ALA 2 -23.529 16.582 -3.441 11 1HB ALA 2 HB1 ALA 2 -25.993 16.203 -5.147 12 2HB ALA 2 HB2 ALA 2 -25.950 16.239 -3.385 13 3HB ALA 2 HB3 ALA 2 -25.163 14.926 -4.262 14 H HIS 3 H HIS 3 -22.510 14.845 -4.646 15 HA HIS 3 HA HIS 3 -21.733 15.792 -7.292 16 1HB HIS 3 HB2 HIS 3 -19.757 14.302 -7.157 17 2HB HIS 3 HB1 HIS 3 -19.812 15.427 -5.816 18 HD1 HIS 3 HD1 HIS 3 -19.238 11.939 -6.550 19 HD2 HIS 3 HD2 HIS 3 -20.814 14.100 -3.372 20 HE1 HIS 3 HE1 HIS 3 -19.104 10.426 -4.544 21 H HIS 4 H HIS 4 -21.516 14.318 -9.051 22 HA HIS 4 HA HIS 4 -23.704 12.401 -8.963 23 1HB HIS 4 HB2 HIS 4 -22.347 13.731 -11.325 24 2HB HIS 4 HB1 HIS 4 -23.659 12.561 -11.449 25 HD1 HIS 4 HD1 HIS 4 -23.123 16.158 -11.303 26 HD2 HIS 4 HD2 HIS 4 -26.052 13.508 -9.992 27 HE1 HIS 4 HE1 HIS 4 -25.153 17.539 -10.823 28 H HIS 5 H HIS 5 -23.118 10.466 -8.543 29 HA HIS 5 HA HIS 5 -20.450 9.591 -9.340 30 1HB HIS 5 HB2 HIS 5 -20.952 9.657 -6.901 31 2HB HIS 5 HB1 HIS 5 -22.254 8.512 -7.162 32 HD1 HIS 5 HD1 HIS 5 -21.519 6.261 -6.346 33 HD2 HIS 5 HD2 HIS 5 -18.424 8.386 -8.108 34 HE1 HIS 5 HE1 HIS 5 -19.482 4.791 -6.208 35 H HIS 6 H HIS 6 -20.838 8.824 -11.347 36 HA HIS 6 HA HIS 6 -22.941 6.820 -11.736 37 1HB HIS 6 HB2 HIS 6 -21.145 8.213 -13.756 38 2HB HIS 6 HB1 HIS 6 -22.441 7.092 -14.152 39 HD1 HIS 6 HD1 HIS 6 -21.761 10.659 -13.584 40 HD2 HIS 6 HD2 HIS 6 -25.068 8.141 -13.572 41 HE1 HIS 6 HE1 HIS 6 -23.749 12.147 -13.732 42 H HIS 7 H HIS 7 -22.226 4.791 -11.378 43 HA HIS 7 HA HIS 7 -19.440 4.304 -12.043 44 1HB HIS 7 HB2 HIS 7 -19.088 2.967 -9.997 45 2HB HIS 7 HB1 HIS 7 -19.390 4.664 -9.678 46 HD1 HIS 7 HD1 HIS 7 -20.281 1.438 -8.425 47 HD2 HIS 7 HD2 HIS 7 -22.299 5.027 -8.944 48 HE1 HIS 7 HE1 HIS 7 -22.265 1.333 -6.915 49 H HIS 8 H HIS 8 -19.528 3.095 -13.681 50 HA HIS 8 HA HIS 8 -21.124 0.640 -13.644 51 1HB HIS 8 HB2 HIS 8 -21.162 2.028 -15.716 52 2HB HIS 8 HB1 HIS 8 -19.419 1.848 -15.855 53 HD1 HIS 8 HD1 HIS 8 -18.674 -0.061 -17.346 54 HD2 HIS 8 HD2 HIS 8 -22.547 -0.561 -15.920 55 HE1 HIS 8 HE1 HIS 8 -19.545 -2.145 -18.422 56 H ASN 9 H ASN 9 -17.886 1.893 -13.636 57 HA ASN 9 HA ASN 9 -16.719 -0.782 -13.428 58 1HB ASN 9 HB2 ASN 9 -15.374 1.943 -13.443 59 2HB ASN 9 HB1 ASN 9 -14.540 0.404 -13.436 60 1HD2 ASN 9 HD21 ASN 9 -16.410 -0.785 -15.441 61 2HD2 ASN 9 HD22 ASN 9 -15.978 -0.047 -16.923 62 H GLN 10 H GLN 10 -14.954 -0.881 -11.601 63 HA GLN 10 HA GLN 10 -16.270 -0.049 -9.158 64 1HB GLN 10 HB2 GLN 10 -13.671 -1.574 -9.510 65 2HB GLN 10 HB1 GLN 10 -14.581 -1.388 -8.022 66 1HG GLN 10 HG2 GLN 10 -15.393 -2.949 -10.459 67 2HG GLN 10 HG1 GLN 10 -14.913 -3.597 -8.892 68 1HE2 GLN 10 HE21 GLN 10 -17.312 -3.999 -10.389 69 2HE2 GLN 10 HE22 GLN 10 -18.629 -3.515 -9.403 70 H GLN 11 H GLN 11 -15.802 2.001 -8.463 71 HA GLN 11 HA GLN 11 -13.506 3.300 -9.549 72 1HB GLN 11 HB2 GLN 11 -15.534 4.621 -9.183 73 2HB GLN 11 HB1 GLN 11 -15.452 4.298 -7.453 74 1HG GLN 11 HG2 GLN 11 -13.340 5.507 -7.301 75 2HG GLN 11 HG1 GLN 11 -13.359 5.789 -9.034 76 1HE2 GLN 11 HE21 GLN 11 -16.213 6.394 -9.115 77 2HE2 GLN 11 HE22 GLN 11 -16.398 7.927 -8.384 78 H ASN 12 H ASN 12 -11.603 2.942 -8.867 79 HA ASN 12 HA ASN 12 -11.205 2.022 -6.174 80 1HB ASN 12 HB2 ASN 12 -8.918 1.536 -6.790 81 2HB ASN 12 HB1 ASN 12 -9.915 1.039 -8.144 82 1HD2 ASN 12 HD21 ASN 12 -9.804 2.293 -10.103 83 2HD2 ASN 12 HD22 ASN 12 -8.492 3.369 -10.365 84 H LYS 13 H LYS 13 -10.607 3.250 -4.552 85 HA LYS 13 HA LYS 13 -10.848 6.047 -4.768 86 1HB LYS 13 HB2 LYS 13 -9.826 4.356 -2.490 87 2HB LYS 13 HB1 LYS 13 -10.199 6.071 -2.367 88 1HG LYS 13 HG2 LYS 13 -12.521 5.648 -2.864 89 2HG LYS 13 HG1 LYS 13 -12.179 3.939 -3.136 90 1HD LYS 13 HD2 LYS 13 -11.504 3.707 -0.792 91 2HD LYS 13 HD1 LYS 13 -11.836 5.419 -0.526 92 1HE LYS 13 HE2 LYS 13 -14.172 5.093 -1.022 93 2HE LYS 13 HE1 LYS 13 -13.887 3.412 -1.464 94 1HZ LYS 13 HZ1 LYS 13 -13.490 4.548 1.254 95 2HZ LYS 13 HZ2 LYS 13 -13.310 2.922 0.810 96 3HZ LYS 13 HZ3 LYS 13 -14.814 3.651 0.746 97 H LYS 14 H LYS 14 -8.110 3.907 -4.643 98 HA LYS 14 HA LYS 14 -5.969 4.116 -5.107 99 1HB LYS 14 HB2 LYS 14 -6.733 5.493 -7.068 100 2HB LYS 14 HB1 LYS 14 -6.640 6.934 -6.079 101 1HG LYS 14 HG2 LYS 14 -4.191 5.266 -6.543 102 2HG LYS 14 HG1 LYS 14 -4.759 6.370 -7.789 103 1HD LYS 14 HD2 LYS 14 -4.475 8.240 -6.391 104 2HD LYS 14 HD1 LYS 14 -4.282 7.228 -4.960 105 1HE LYS 14 HE2 LYS 14 -2.144 8.141 -5.667 106 2HE LYS 14 HE1 LYS 14 -2.169 6.395 -5.836 107 1HZ LYS 14 HZ1 LYS 14 -2.765 8.117 -8.167 108 2HZ LYS 14 HZ2 LYS 14 -1.997 6.553 -8.130 109 3HZ LYS 14 HZ3 LYS 14 -1.226 7.906 -7.585 110 H VAL 15 H VAL 15 -4.012 4.905 -4.217 111 HA VAL 15 HA VAL 15 -4.217 5.450 -1.518 112 HB VAL 15 HB VAL 15 -2.143 4.714 -3.237 113 1HG1 VAL 15 HG11 VAL 15 -1.369 7.278 -1.909 114 2HG1 VAL 15 HG12 VAL 15 -1.436 6.977 -3.643 115 3HG1 VAL 15 HG13 VAL 15 -0.221 6.153 -2.643 116 1HG2 VAL 15 HG21 VAL 15 -2.014 5.343 -0.315 117 2HG2 VAL 15 HG22 VAL 15 -0.843 4.347 -1.185 118 3HG2 VAL 15 HG23 VAL 15 -2.526 3.818 -1.031 119 H GLU 16 H GLU 16 -4.815 7.231 -0.526 120 HA GLU 16 HA GLU 16 -3.935 9.794 -1.650 121 1HB GLU 16 HB2 GLU 16 -6.012 10.797 -0.747 122 2HB GLU 16 HB1 GLU 16 -6.309 9.598 -2.002 123 1HG GLU 16 HG2 GLU 16 -6.800 7.958 -0.314 124 2HG GLU 16 HG1 GLU 16 -6.509 9.125 0.948 125 H GLY 17 H GLY 17 -4.926 8.117 1.276 126 1HA GLY 17 HA2 GLY 17 -2.704 9.107 2.691 127 2HA GLY 17 HA1 GLY 17 -4.215 9.820 3.262 128 H GLY 18 H GLY 18 -2.230 7.182 3.195 129 1HA GLY 18 HA2 GLY 18 -2.629 5.829 5.268 130 2HA GLY 18 HA1 GLY 18 -4.212 5.495 4.572 131 H TYR 19 H TYR 19 -3.608 3.245 4.664 132 HA TYR 19 HA TYR 19 -1.571 2.480 2.687 133 1HB TYR 19 HB2 TYR 19 -2.639 0.814 4.947 134 2HB TYR 19 HB1 TYR 19 -1.181 0.536 3.995 135 HD1 TYR 19 HD1 TYR 19 -2.261 1.511 7.108 136 HD2 TYR 19 HD2 TYR 19 0.440 2.755 4.069 137 HE1 TYR 19 HE1 TYR 19 -1.052 2.804 8.748 138 HE2 TYR 19 HE2 TYR 19 1.697 4.072 5.716 139 HH TYR 19 HH TYR 19 1.187 3.814 9.074 140 H GLU 20 H GLU 20 -2.338 1.848 0.905 141 HA GLU 20 HA GLU 20 -5.012 0.691 0.703 142 1HB GLU 20 HB2 GLU 20 -4.482 2.568 -0.808 143 2HB GLU 20 HB1 GLU 20 -3.041 1.724 -1.356 144 1HG GLU 20 HG2 GLU 20 -4.596 -0.109 -2.156 145 2HG GLU 20 HG1 GLU 20 -5.907 1.021 -1.871 146 H CYS 21 H CYS 21 -4.988 -1.444 0.736 147 HA CYS 21 HA CYS 21 -2.691 -3.102 0.525 148 1HB CYS 21 HB2 CYS 21 -5.561 -3.848 0.099 149 2HB CYS 21 HB1 CYS 21 -4.232 -4.985 0.251 150 H LYS 22 H LYS 22 -1.993 -4.413 -1.036 151 HA LYS 22 HA LYS 22 -2.305 -3.796 -3.740 152 1HB LYS 22 HB2 LYS 22 -0.295 -4.815 -3.009 153 2HB LYS 22 HB1 LYS 22 -1.151 -6.166 -2.282 154 1HG LYS 22 HG2 LYS 22 -0.024 -6.833 -4.322 155 2HG LYS 22 HG1 LYS 22 -1.772 -6.974 -4.501 156 1HD LYS 22 HD2 LYS 22 -1.792 -4.800 -5.610 157 2HD LYS 22 HD1 LYS 22 -0.024 -4.755 -5.470 158 1HE LYS 22 HE2 LYS 22 0.109 -6.776 -6.825 159 2HE LYS 22 HE1 LYS 22 -1.650 -6.836 -6.902 160 1HZ LYS 22 HZ1 LYS 22 -1.567 -4.657 -8.096 161 2HZ LYS 22 HZ2 LYS 22 -0.866 -5.917 -8.914 162 3HZ LYS 22 HZ3 LYS 22 0.122 -4.786 -8.145 163 H TYR 23 H TYR 23 -3.927 -6.042 -1.630 164 HA TYR 23 HA TYR 23 -5.217 -7.281 -3.925 165 1HB TYR 23 HB2 TYR 23 -5.641 -8.945 -1.698 166 2HB TYR 23 HB1 TYR 23 -4.568 -9.230 -3.060 167 HD1 TYR 23 HD1 TYR 23 -2.135 -8.714 -2.874 168 HD2 TYR 23 HD2 TYR 23 -4.771 -8.264 0.447 169 HE1 TYR 23 HE1 TYR 23 -0.206 -8.612 -1.357 170 HE2 TYR 23 HE2 TYR 23 -2.832 -8.153 1.962 171 HH TYR 23 HH TYR 23 -0.446 -8.945 1.956 172 H CYS 24 H CYS 24 -5.978 -4.881 -1.967 173 HA CYS 24 HA CYS 24 -8.719 -5.298 -2.474 174 1HB CYS 24 HB2 CYS 24 -9.583 -5.133 -0.216 175 2HB CYS 24 HB1 CYS 24 -8.426 -6.459 -0.271 176 H THR 25 H THR 25 -9.769 -3.317 -2.554 177 HA THR 25 HA THR 25 -7.967 -1.058 -2.558 178 HB THR 25 HB THR 25 -10.884 -1.182 -3.423 179 HG1 THR 25 HG1 THR 25 -8.679 -2.371 -4.392 180 1HG2 THR 25 HG21 THR 25 -8.583 0.612 -4.279 181 2HG2 THR 25 HG22 THR 25 -9.911 1.099 -3.223 182 3HG2 THR 25 HG23 THR 25 -10.231 0.674 -4.907 183 H PHE 26 H PHE 26 -8.978 -2.359 -0.075 184 HA PHE 26 HA PHE 26 -10.517 -0.249 1.195 185 1HB PHE 26 HB2 PHE 26 -11.005 -2.664 1.719 186 2HB PHE 26 HB1 PHE 26 -9.380 -2.814 2.363 187 HD1 PHE 26 HD1 PHE 26 -8.802 -1.832 4.521 188 HD2 PHE 26 HD2 PHE 26 -12.735 -1.471 2.938 189 HE1 PHE 26 HE1 PHE 26 -9.623 -1.144 6.734 190 HE2 PHE 26 HE2 PHE 26 -13.559 -0.782 5.150 191 HZ PHE 26 HZ PHE 26 -12.005 -0.619 7.050 192 H GLN 27 H GLN 27 -9.376 1.446 1.744 193 HA GLN 27 HA GLN 27 -6.619 1.055 2.582 194 1HB GLN 27 HB2 GLN 27 -6.484 2.467 0.727 195 2HB GLN 27 HB1 GLN 27 -7.942 3.357 1.177 196 1HG GLN 27 HG2 GLN 27 -6.765 4.506 2.922 197 2HG GLN 27 HG1 GLN 27 -5.390 3.424 2.728 198 1HE2 GLN 27 HE21 GLN 27 -3.904 3.921 1.406 199 2HE2 GLN 27 HE22 GLN 27 -3.832 5.257 0.322 200 H THR 28 H THR 28 -5.951 1.756 4.462 201 HA THR 28 HA THR 28 -7.560 3.575 5.981 202 HB THR 28 HB THR 28 -8.403 1.417 6.776 203 HG1 THR 28 HG1 THR 28 -8.316 2.755 8.447 204 1HG2 THR 28 HG21 THR 28 -6.938 -0.258 7.826 205 2HG2 THR 28 HG22 THR 28 -5.538 0.726 7.480 206 3HG2 THR 28 HG23 THR 28 -6.452 0.008 6.151 207 HA PRO 29 HA PRO 29 -3.346 4.908 6.825 208 1HB PRO 29 HB2 PRO 29 -3.993 6.953 8.492 209 2HB PRO 29 HB1 PRO 29 -4.143 7.074 6.733 210 1HG PRO 29 HG2 PRO 29 -6.250 6.512 8.780 211 2HG PRO 29 HG1 PRO 29 -6.329 7.564 7.353 212 1HD PRO 29 HD2 PRO 29 -7.404 5.071 7.376 213 2HD PRO 29 HD1 PRO 29 -6.684 5.779 5.906 214 H ASP 30 H ASP 30 -5.417 3.311 8.825 215 HA ASP 30 HA ASP 30 -3.779 3.569 11.245 216 1HB ASP 30 HB2 ASP 30 -6.488 3.007 10.874 217 2HB ASP 30 HB1 ASP 30 -5.732 1.462 10.946 218 H LEU 31 H LEU 31 -1.940 2.368 11.146 219 HA LEU 31 HA LEU 31 -1.508 0.284 9.388 220 1HB LEU 31 HB2 LEU 31 0.044 1.711 10.934 221 2HB LEU 31 HB1 LEU 31 -0.166 0.388 12.058 222 HG LEU 31 HG LEU 31 1.909 0.029 10.914 223 1HD1 LEU 31 HD11 LEU 31 0.659 -2.015 11.227 224 2HD1 LEU 31 HD12 LEU 31 1.531 -2.078 9.673 225 3HD1 LEU 31 HD13 LEU 31 -0.199 -1.691 9.727 226 1HD2 LEU 31 HD21 LEU 31 0.364 0.323 8.380 227 2HD2 LEU 31 HD22 LEU 31 2.098 -0.045 8.491 228 3HD2 LEU 31 HD23 LEU 31 1.460 1.511 9.064 229 H ASN 32 H ASN 32 -2.732 0.338 12.745 230 HA ASN 32 HA ASN 32 -2.622 -2.388 13.245 231 1HB ASN 32 HB2 ASN 32 -3.088 -0.378 14.816 232 2HB ASN 32 HB1 ASN 32 -4.739 -0.554 14.205 233 1HD2 ASN 32 HD21 ASN 32 -4.570 -3.519 14.123 234 2HD2 ASN 32 HD22 ASN 32 -4.653 -3.976 15.773 235 H MET 33 H MET 33 -5.139 -0.299 11.911 236 HA MET 33 HA MET 33 -7.033 -2.440 11.574 237 1HB MET 33 HB2 MET 33 -7.016 0.214 10.122 238 2HB MET 33 HB1 MET 33 -8.341 -0.920 10.183 239 1HG MET 33 HG2 MET 33 -7.148 0.497 12.497 240 2HG MET 33 HG1 MET 33 -8.638 0.975 11.683 241 1HE MET 33 HE1 MET 33 -10.884 -0.518 11.704 242 2HE MET 33 HE2 MET 33 -11.019 -2.071 12.524 243 3HE MET 33 HE3 MET 33 -9.986 -1.915 11.106 244 H PHE 34 H PHE 34 -4.631 -0.909 9.607 245 HA PHE 34 HA PHE 34 -5.217 -2.123 7.162 246 1HB PHE 34 HB2 PHE 34 -3.598 -0.337 7.229 247 2HB PHE 34 HB1 PHE 34 -2.570 -1.233 8.317 248 HD1 PHE 34 HD1 PHE 34 -4.014 -1.435 4.876 249 HD2 PHE 34 HD2 PHE 34 -0.804 -2.432 7.481 250 HE1 PHE 34 HE1 PHE 34 -2.748 -2.325 2.963 251 HE2 PHE 34 HE2 PHE 34 0.476 -3.326 5.567 252 HZ PHE 34 HZ PHE 34 -0.501 -3.273 3.307 253 H THR 35 H THR 35 -2.934 -3.224 9.609 254 HA THR 35 HA THR 35 -2.547 -5.667 8.170 255 HB THR 35 HB THR 35 -0.651 -4.841 9.426 256 HG1 THR 35 HG1 THR 35 -1.570 -7.216 10.689 257 1HG2 THR 35 HG21 THR 35 -2.346 -5.225 11.884 258 2HG2 THR 35 HG22 THR 35 -1.761 -3.695 11.226 259 3HG2 THR 35 HG23 THR 35 -0.617 -4.857 11.907 260 H PHE 36 H PHE 36 -4.680 -4.679 10.681 261 HA PHE 36 HA PHE 36 -5.470 -7.246 11.536 262 1HB PHE 36 HB2 PHE 36 -6.067 -5.487 12.963 263 2HB PHE 36 HB1 PHE 36 -6.804 -4.545 11.683 264 HD1 PHE 36 HD1 PHE 36 -9.093 -4.447 11.768 265 HD2 PHE 36 HD2 PHE 36 -7.182 -7.964 13.187 266 HE1 PHE 36 HE1 PHE 36 -11.293 -5.386 12.377 267 HE2 PHE 36 HE2 PHE 36 -9.365 -8.911 13.815 268 HZ PHE 36 HZ PHE 36 -11.427 -7.625 13.404 269 H HIS 37 H HIS 37 -6.929 -5.024 9.157 270 HA HIS 37 HA HIS 37 -8.893 -6.923 8.499 271 1HB HIS 37 HB2 HIS 37 -9.744 -5.425 6.921 272 2HB HIS 37 HB1 HIS 37 -8.917 -4.357 8.047 273 HD1 HIS 37 HD1 HIS 37 -7.007 -2.948 7.090 274 HD2 HIS 37 HD2 HIS 37 -8.551 -5.719 4.422 275 HE1 HIS 37 HE1 HIS 37 -6.045 -2.338 4.830 276 H VAL 38 H VAL 38 -5.660 -6.428 7.452 277 HA VAL 38 HA VAL 38 -5.751 -8.054 5.155 278 HB VAL 38 HB VAL 38 -3.487 -7.354 7.019 279 1HG1 VAL 38 HG11 VAL 38 -3.326 -8.925 4.424 280 2HG1 VAL 38 HG12 VAL 38 -3.009 -9.559 6.041 281 3HG1 VAL 38 HG13 VAL 38 -1.932 -8.343 5.345 282 1HG2 VAL 38 HG21 VAL 38 -4.273 -5.543 5.616 283 2HG2 VAL 38 HG22 VAL 38 -4.087 -6.541 4.177 284 3HG2 VAL 38 HG23 VAL 38 -2.665 -6.043 5.099 285 H ASP 39 H ASP 39 -4.745 -8.805 8.479 286 HA ASP 39 HA ASP 39 -4.384 -11.571 8.055 287 1HB ASP 39 HB2 ASP 39 -3.533 -10.285 10.025 288 2HB ASP 39 HB1 ASP 39 -5.178 -10.189 10.634 289 H SER 40 H SER 40 -7.152 -9.688 8.639 290 HA SER 40 HA SER 40 -8.901 -11.825 9.408 291 1HB SER 40 HB2 SER 40 -9.230 -9.533 10.228 292 2HB SER 40 HB1 SER 40 -9.482 -8.978 8.587 293 HG SER 40 HG SER 40 -11.102 -11.046 9.554 294 H GLU 41 H GLU 41 -8.385 -9.923 6.440 295 HA GLU 41 HA GLU 41 -10.471 -11.580 5.164 296 1HB GLU 41 HB2 GLU 41 -9.268 -9.018 4.143 297 2HB GLU 41 HB1 GLU 41 -10.628 -9.879 3.444 298 1HG GLU 41 HG2 GLU 41 -11.937 -9.459 5.435 299 2HG GLU 41 HG1 GLU 41 -10.564 -8.623 6.166 300 H HIS 42 H HIS 42 -7.086 -10.636 4.760 301 HA HIS 42 HA HIS 42 -6.776 -12.664 2.758 302 1HB HIS 42 HB2 HIS 42 -5.143 -10.724 1.822 303 2HB HIS 42 HB1 HIS 42 -6.741 -11.072 1.136 304 HD1 HIS 42 HD1 HIS 42 -8.639 -9.307 1.880 305 HD2 HIS 42 HD2 HIS 42 -4.760 -8.202 2.892 306 HE1 HIS 42 HE1 HIS 42 -8.766 -6.886 2.468 307 HA PRO 43 HA PRO 43 -3.514 -12.444 6.123 308 1HB PRO 43 HB2 PRO 43 -3.706 -15.069 6.895 309 2HB PRO 43 HB1 PRO 43 -4.639 -13.767 7.639 310 1HG PRO 43 HG2 PRO 43 -5.465 -15.739 5.549 311 2HG PRO 43 HG1 PRO 43 -6.385 -15.134 6.941 312 1HD PRO 43 HD2 PRO 43 -6.774 -14.214 4.413 313 2HD PRO 43 HD1 PRO 43 -6.982 -13.197 5.853 314 H ASN 44 H ASN 44 -4.373 -15.016 3.922 315 HA ASN 44 HA ASN 44 -1.598 -15.279 3.055 316 1HB ASN 44 HB2 ASN 44 -2.196 -17.321 4.248 317 2HB ASN 44 HB1 ASN 44 -3.689 -17.455 3.329 318 1HD2 ASN 44 HD21 ASN 44 -0.196 -17.753 3.177 319 2HD2 ASN 44 HD22 ASN 44 -0.179 -18.689 1.726 320 H VAL 45 H VAL 45 -1.446 -14.499 1.133 321 HA VAL 45 HA VAL 45 -3.563 -15.002 -0.754 322 HB VAL 45 HB VAL 45 -4.136 -12.817 0.132 323 1HG1 VAL 45 HG11 VAL 45 -2.048 -12.179 1.109 324 2HG1 VAL 45 HG12 VAL 45 -2.641 -10.902 0.052 325 3HG1 VAL 45 HG13 VAL 45 -1.330 -11.956 -0.487 326 1HG2 VAL 45 HG21 VAL 45 -2.828 -12.531 -2.571 327 2HG2 VAL 45 HG22 VAL 45 -4.013 -11.419 -1.885 328 3HG2 VAL 45 HG23 VAL 45 -4.476 -13.080 -2.256 329 H VAL 46 H VAL 46 -2.743 -15.682 -2.613 330 HA VAL 46 HA VAL 46 0.118 -15.649 -2.927 331 HB VAL 46 HB VAL 46 -1.967 -16.796 -4.812 332 1HG1 VAL 46 HG11 VAL 46 0.186 -16.410 -5.882 333 2HG1 VAL 46 HG12 VAL 46 -0.084 -18.142 -5.672 334 3HG1 VAL 46 HG13 VAL 46 1.007 -17.284 -4.589 335 1HG2 VAL 46 HG21 VAL 46 -2.117 -17.842 -2.603 336 2HG2 VAL 46 HG22 VAL 46 -0.388 -18.187 -2.640 337 3HG2 VAL 46 HG23 VAL 46 -1.470 -18.966 -3.796 338 H LEU 47 H LEU 47 1.224 -14.376 -4.277 339 HA LEU 47 HA LEU 47 -0.220 -12.682 -6.151 340 1HB LEU 47 HB2 LEU 47 -0.149 -11.557 -3.951 341 2HB LEU 47 HB1 LEU 47 1.590 -11.707 -3.951 342 HG LEU 47 HG LEU 47 1.605 -10.247 -6.004 343 1HD1 LEU 47 HD11 LEU 47 -0.721 -10.606 -6.667 344 2HD1 LEU 47 HD12 LEU 47 -0.372 -8.896 -6.428 345 3HD1 LEU 47 HD13 LEU 47 -1.264 -9.793 -5.199 346 1HD2 LEU 47 HD21 LEU 47 2.118 -9.459 -3.725 347 2HD2 LEU 47 HD22 LEU 47 0.415 -9.043 -3.509 348 3HD2 LEU 47 HD23 LEU 47 1.384 -8.223 -4.737 349 H ASN 48 H ASN 48 1.179 -11.938 -7.807 350 HA ASN 48 HA ASN 48 3.579 -13.493 -8.180 351 1HB ASN 48 HB2 ASN 48 2.200 -13.103 -10.138 352 2HB ASN 48 HB1 ASN 48 2.277 -11.367 -9.898 353 1HD2 ASN 48 HD21 ASN 48 5.088 -13.586 -9.674 354 2HD2 ASN 48 HD22 ASN 48 5.861 -12.946 -11.065 355 H SER 49 H SER 49 3.048 -9.956 -8.473 356 HA SER 49 HA SER 49 5.373 -9.448 -6.873 357 1HB SER 49 HB2 SER 49 5.246 -8.628 -9.795 358 2HB SER 49 HB1 SER 49 6.487 -8.127 -8.647 359 HG SER 49 HG SER 49 6.218 -10.788 -8.601 360 H SER 50 H SER 50 5.511 -7.148 -6.310 361 HA SER 50 HA SER 50 3.759 -5.187 -7.183 362 1HB SER 50 HB2 SER 50 2.120 -6.634 -5.918 363 2HB SER 50 HB1 SER 50 3.091 -6.358 -4.470 364 HG SER 50 HG SER 50 1.946 -4.551 -4.279 365 H TYR 51 H TYR 51 3.842 -3.411 -5.357 366 HA TYR 51 HA TYR 51 6.609 -3.344 -4.381 367 1HB TYR 51 HB2 TYR 51 4.864 -1.237 -5.564 368 2HB TYR 51 HB1 TYR 51 6.149 -0.809 -4.453 369 HD1 TYR 51 HD1 TYR 51 7.172 0.589 -6.097 370 HD2 TYR 51 HD2 TYR 51 6.629 -3.554 -6.852 371 HE1 TYR 51 HE1 TYR 51 8.733 0.734 -8.020 372 HE2 TYR 51 HE2 TYR 51 8.166 -3.430 -8.753 373 HH TYR 51 HH TYR 51 10.182 -0.775 -9.330 374 H VAL 52 H VAL 52 6.948 -2.637 -2.387 375 HA VAL 52 HA VAL 52 4.646 -1.859 -0.748 376 HB VAL 52 HB VAL 52 5.144 -4.249 -0.371 377 1HG1 VAL 52 HG11 VAL 52 7.220 -4.940 0.631 378 2HG1 VAL 52 HG12 VAL 52 7.827 -3.294 0.491 379 3HG1 VAL 52 HG13 VAL 52 7.462 -4.235 -0.965 380 1HG2 VAL 52 HG21 VAL 52 5.534 -4.251 2.046 381 2HG2 VAL 52 HG22 VAL 52 4.338 -3.067 1.538 382 3HG2 VAL 52 HG23 VAL 52 5.974 -2.543 1.958 383 H CYS 53 H CYS 53 5.103 -0.255 0.672 384 HA CYS 53 HA CYS 53 7.718 1.031 0.559 385 1HB CYS 53 HB2 CYS 53 5.774 2.426 0.678 386 2HB CYS 53 HB1 CYS 53 5.169 1.601 2.101 387 H VAL 54 H VAL 54 9.197 -0.239 1.545 388 HA VAL 54 HA VAL 54 8.857 -2.074 3.578 389 HB VAL 54 HB VAL 54 11.346 -0.647 3.864 390 1HG1 VAL 54 HG11 VAL 54 10.963 -2.951 4.494 391 2HG1 VAL 54 HG12 VAL 54 12.287 -2.736 3.310 392 3HG1 VAL 54 HG13 VAL 54 10.697 -3.277 2.764 393 1HG2 VAL 54 HG21 VAL 54 10.480 -1.357 1.101 394 2HG2 VAL 54 HG22 VAL 54 12.169 -1.306 1.585 395 3HG2 VAL 54 HG23 VAL 54 11.169 0.139 1.702 396 H GLU 55 H GLU 55 9.295 1.315 3.685 397 HA GLU 55 HA GLU 55 10.043 1.698 6.315 398 1HB GLU 55 HB2 GLU 55 8.304 3.561 4.707 399 2HB GLU 55 HB1 GLU 55 9.422 3.984 5.990 400 1HG GLU 55 HG2 GLU 55 10.256 2.844 3.319 401 2HG GLU 55 HG1 GLU 55 10.210 4.546 3.697 402 H CYS 56 H CYS 56 6.953 1.541 4.734 403 HA CYS 56 HA CYS 56 5.486 1.908 7.292 404 1HB CYS 56 HB2 CYS 56 4.378 1.719 4.510 405 2HB CYS 56 HB1 CYS 56 3.549 2.318 5.938 406 H ASN 57 H ASN 57 6.536 -0.481 5.189 407 HA ASN 57 HA ASN 57 5.976 -2.535 4.566 408 1HB ASN 57 HB2 ASN 57 5.220 -2.408 7.398 409 2HB ASN 57 HB1 ASN 57 4.905 -3.932 6.515 410 1HD2 ASN 57 HD21 ASN 57 7.330 -3.530 4.884 411 2HD2 ASN 57 HD22 ASN 57 8.604 -3.946 5.953 412 H PHE 58 H PHE 58 4.447 -1.220 3.181 413 HA PHE 58 HA PHE 58 1.816 -2.408 3.529 414 1HB PHE 58 HB2 PHE 58 0.611 -0.482 3.650 415 2HB PHE 58 HB1 PHE 58 2.115 0.239 4.176 416 HD1 PHE 58 HD1 PHE 58 3.333 1.745 2.675 417 HD2 PHE 58 HD2 PHE 58 -0.283 -0.078 1.484 418 HE1 PHE 58 HE1 PHE 58 3.129 3.388 0.770 419 HE2 PHE 58 HE2 PHE 58 -0.501 1.582 -0.383 420 HZ PHE 58 HZ PHE 58 1.226 3.269 -0.723 421 H LEU 59 H LEU 59 1.138 -3.337 1.801 422 HA LEU 59 HA LEU 59 2.662 -3.026 -0.653 423 1HB LEU 59 HB2 LEU 59 1.005 -5.215 0.499 424 2HB LEU 59 HB1 LEU 59 1.016 -5.033 -1.244 425 HG LEU 59 HG LEU 59 3.585 -5.331 0.276 426 1HD1 LEU 59 HD11 LEU 59 1.830 -7.397 -1.014 427 2HD1 LEU 59 HD12 LEU 59 2.042 -7.210 0.729 428 3HD1 LEU 59 HD13 LEU 59 3.416 -7.690 -0.283 429 1HD2 LEU 59 HD21 LEU 59 4.312 -6.076 -1.956 430 2HD2 LEU 59 HD22 LEU 59 3.682 -4.434 -2.010 431 3HD2 LEU 59 HD23 LEU 59 2.701 -5.767 -2.582 432 H THR 60 H THR 60 1.639 -2.218 -2.436 433 HA THR 60 HA THR 60 -1.147 -1.458 -2.001 434 HB THR 60 HB THR 60 -0.135 0.540 -1.771 435 HG1 THR 60 HG1 THR 60 -1.637 1.090 -3.339 436 1HG2 THR 60 HG21 THR 60 1.773 1.397 -3.039 437 2HG2 THR 60 HG22 THR 60 1.786 -0.075 -4.006 438 3HG2 THR 60 HG23 THR 60 2.122 -0.145 -2.278 439 H LYS 61 H LYS 61 -2.418 -1.066 -3.761 440 HA LYS 61 HA LYS 61 -2.645 -3.120 -5.628 441 1HB LYS 61 HB2 LYS 61 -4.452 -1.726 -4.704 442 2HB LYS 61 HB1 LYS 61 -3.839 -0.355 -5.604 443 1HG LYS 61 HG2 LYS 61 -4.333 -1.533 -7.698 444 2HG LYS 61 HG1 LYS 61 -4.974 -2.883 -6.757 445 1HD LYS 61 HD2 LYS 61 -6.619 -1.322 -5.735 446 2HD LYS 61 HD1 LYS 61 -6.021 -0.055 -6.801 447 1HE LYS 61 HE2 LYS 61 -8.024 -1.016 -7.747 448 2HE LYS 61 HE1 LYS 61 -6.624 -1.435 -8.738 449 1HZ LYS 61 HZ1 LYS 61 -7.896 -3.223 -6.742 450 2HZ LYS 61 HZ2 LYS 61 -6.610 -3.641 -7.732 451 3HZ LYS 61 HZ3 LYS 61 -8.124 -3.315 -8.400 452 H ARG 62 H ARG 62 -0.757 -0.292 -5.689 453 HA ARG 62 HA ARG 62 -0.357 -0.480 -8.585 454 1HB ARG 62 HB2 ARG 62 -0.564 1.932 -8.716 455 2HB ARG 62 HB1 ARG 62 -2.037 1.206 -8.078 456 1HG ARG 62 HG2 ARG 62 -1.023 1.707 -5.764 457 2HG ARG 62 HG1 ARG 62 0.036 2.803 -6.647 458 1HD ARG 62 HD2 ARG 62 -1.787 4.087 -5.910 459 2HD ARG 62 HD1 ARG 62 -2.039 3.816 -7.632 460 HE ARG 62 HE ARG 62 -3.390 2.360 -5.464 461 1HH1 ARG 62 HH11 ARG 62 -3.345 3.470 -8.832 462 2HH1 ARG 62 HH12 ARG 62 -5.005 3.272 -9.072 463 1HH2 ARG 62 HH21 ARG 62 -5.627 2.115 -5.764 464 2HH2 ARG 62 HH22 ARG 62 -6.376 2.506 -7.277 465 H TYR 63 H TYR 63 1.527 1.078 -9.128 466 HA TYR 63 HA TYR 63 3.686 0.583 -7.195 467 1HB TYR 63 HB2 TYR 63 5.230 0.889 -9.147 468 2HB TYR 63 HB1 TYR 63 4.101 -0.441 -9.353 469 HD1 TYR 63 HD1 TYR 63 5.272 2.714 -10.667 470 HD2 TYR 63 HD2 TYR 63 2.110 -0.124 -10.847 471 HE1 TYR 63 HE1 TYR 63 4.513 3.694 -12.784 472 HE2 TYR 63 HE2 TYR 63 1.348 0.843 -12.962 473 HH TYR 63 HH TYR 63 1.489 3.036 -14.060 474 H ASP 64 H ASP 64 1.869 3.057 -8.662 475 HA ASP 64 HA ASP 64 3.732 5.209 -8.402 476 1HB ASP 64 HB2 ASP 64 1.690 6.579 -8.792 477 2HB ASP 64 HB1 ASP 64 2.073 5.417 -10.080 478 H ALA 65 H ALA 65 1.488 3.746 -6.336 479 HA ALA 65 HA ALA 65 1.012 5.818 -4.460 480 1HB ALA 65 HB1 ALA 65 -0.294 3.804 -4.394 481 2HB ALA 65 HB2 ALA 65 0.559 3.946 -2.852 482 3HB ALA 65 HB3 ALA 65 1.143 2.848 -4.104 483 H LEU 66 H LEU 66 3.673 3.770 -4.993 484 HA LEU 66 HA LEU 66 5.048 4.373 -2.527 485 1HB LEU 66 HB2 LEU 66 6.078 3.173 -5.047 486 2HB LEU 66 HB1 LEU 66 6.950 3.209 -3.528 487 HG LEU 66 HG LEU 66 6.193 1.050 -3.656 488 1HD1 LEU 66 HD11 LEU 66 4.480 0.759 -1.958 489 2HD1 LEU 66 HD12 LEU 66 4.041 2.456 -2.139 490 3HD1 LEU 66 HD13 LEU 66 5.638 2.024 -1.502 491 1HD2 LEU 66 HD21 LEU 66 3.538 2.071 -4.598 492 2HD2 LEU 66 HD22 LEU 66 3.946 0.372 -4.331 493 3HD2 LEU 66 HD23 LEU 66 4.779 1.307 -5.581 494 H SER 67 H SER 67 4.909 5.520 -5.732 495 HA SER 67 HA SER 67 7.332 7.048 -5.747 496 1HB SER 67 HB2 SER 67 4.893 6.769 -7.333 497 2HB SER 67 HB1 SER 67 6.020 8.052 -7.779 498 HG SER 67 HG SER 67 7.390 5.769 -7.497 499 H GLU 68 H GLU 68 3.903 7.743 -5.501 500 HA GLU 68 HA GLU 68 4.374 10.479 -4.925 501 1HB GLU 68 HB2 GLU 68 1.754 9.293 -4.169 502 2HB GLU 68 HB1 GLU 68 2.170 10.810 -4.919 503 1HG GLU 68 HG2 GLU 68 2.932 9.379 -6.938 504 2HG GLU 68 HG1 GLU 68 1.933 8.169 -6.217 505 H HIS 69 H HIS 69 4.401 7.693 -3.161 506 HA HIS 69 HA HIS 69 3.519 8.275 -0.623 507 1HB HIS 69 HB2 HIS 69 4.505 6.159 -1.599 508 2HB HIS 69 HB1 HIS 69 6.073 6.831 -1.052 509 HD1 HIS 69 HD1 HIS 69 2.645 6.027 0.383 510 HD2 HIS 69 HD2 HIS 69 6.655 5.975 1.321 511 HE1 HIS 69 HE1 HIS 69 2.779 5.058 2.705 512 H ASN 70 H ASN 70 6.941 8.820 -1.695 513 HA ASN 70 HA ASN 70 7.568 10.358 0.672 514 1HB ASN 70 HB2 ASN 70 9.686 10.818 -0.492 515 2HB ASN 70 HB1 ASN 70 9.343 9.104 -0.400 516 1HD2 ASN 70 HD21 ASN 70 11.116 10.131 -2.106 517 2HD2 ASN 70 HD22 ASN 70 10.509 9.938 -3.752 518 H LEU 71 H LEU 71 5.947 11.064 -2.100 519 HA LEU 71 HA LEU 71 6.620 13.845 -2.192 520 1HB LEU 71 HB2 LEU 71 5.888 13.091 -4.257 521 2HB LEU 71 HB1 LEU 71 4.723 11.996 -3.562 522 HG LEU 71 HG LEU 71 3.182 13.773 -3.211 523 1HD1 LEU 71 HD11 LEU 71 5.279 15.566 -4.513 524 2HD1 LEU 71 HD12 LEU 71 4.750 15.666 -2.834 525 3HD1 LEU 71 HD13 LEU 71 3.629 16.067 -4.137 526 1HD2 LEU 71 HD21 LEU 71 4.299 13.733 -6.000 527 2HD2 LEU 71 HD22 LEU 71 2.701 14.332 -5.561 528 3HD2 LEU 71 HD23 LEU 71 3.101 12.634 -5.314 529 H LYS 72 H LYS 72 3.870 11.948 -1.063 530 HA LYS 72 HA LYS 72 2.984 14.304 0.426 531 1HB LYS 72 HB2 LYS 72 0.794 12.697 0.393 532 2HB LYS 72 HB1 LYS 72 1.058 14.061 -0.716 533 1HG LYS 72 HG2 LYS 72 2.200 12.281 -2.166 534 2HG LYS 72 HG1 LYS 72 1.458 11.090 -1.150 535 1HD LYS 72 HD2 LYS 72 0.082 13.201 -2.802 536 2HD LYS 72 HD1 LYS 72 0.071 11.458 -3.070 537 1HE LYS 72 HE2 LYS 72 -1.205 11.126 -1.039 538 2HE LYS 72 HE1 LYS 72 -1.115 12.837 -0.665 539 1HZ LYS 72 HZ1 LYS 72 -3.268 12.312 -1.679 540 2HZ LYS 72 HZ2 LYS 72 -2.505 11.715 -3.061 541 3HZ LYS 72 HZ3 LYS 72 -2.383 13.325 -2.675 542 H TYR 73 H TYR 73 3.473 10.928 0.777 543 HA TYR 73 HA TYR 73 2.501 10.824 3.499 544 1HB TYR 73 HB2 TYR 73 3.888 8.826 1.755 545 2HB TYR 73 HB1 TYR 73 3.366 8.440 3.396 546 HD1 TYR 73 HD1 TYR 73 1.510 7.065 3.367 547 HD2 TYR 73 HD2 TYR 73 1.812 10.068 0.379 548 HE1 TYR 73 HE1 TYR 73 -0.651 6.354 2.413 549 HE2 TYR 73 HE2 TYR 73 -0.288 9.399 -0.544 550 HH TYR 73 HH TYR 73 -2.414 7.364 1.111 551 H HIS 74 H HIS 74 5.689 10.284 1.923 552 HA HIS 74 HA HIS 74 6.968 11.069 4.511 553 1HB HIS 74 HB2 HIS 74 8.109 9.336 2.281 554 2HB HIS 74 HB1 HIS 74 9.023 9.857 3.683 555 HD1 HIS 74 HD1 HIS 74 9.089 8.124 5.565 556 HD2 HIS 74 HD2 HIS 74 5.988 7.552 2.884 557 HE1 HIS 74 HE1 HIS 74 8.179 5.864 6.082 558 HA PRO 75 HA PRO 75 7.907 14.289 1.244 559 1HB PRO 75 HB2 PRO 75 7.249 16.475 2.655 560 2HB PRO 75 HB1 PRO 75 6.030 15.493 1.823 561 1HG PRO 75 HG2 PRO 75 6.851 15.404 4.719 562 2HG PRO 75 HG1 PRO 75 5.211 15.439 4.033 563 1HD PRO 75 HD2 PRO 75 6.374 13.157 4.845 564 2HD PRO 75 HD1 PRO 75 5.279 13.241 3.452 565 H GLY 76 H GLY 76 9.694 15.442 0.960 566 1HA GLY 76 HA2 GLY 76 11.235 16.934 2.563 567 2HA GLY 76 HA1 GLY 76 11.738 15.317 3.015 568 H GLU 77 H GLU 77 11.483 14.152 0.394 569 HA GLU 77 HA GLU 77 13.047 15.550 -1.539 570 1HB GLU 77 HB2 GLU 77 15.021 14.105 -1.462 571 2HB GLU 77 HB1 GLU 77 14.869 15.036 0.020 572 1HG GLU 77 HG2 GLU 77 14.034 13.108 1.193 573 2HG GLU 77 HG1 GLU 77 14.002 12.179 -0.306 574 H GLU 78 H GLU 78 13.785 13.854 -3.260 575 HA GLU 78 HA GLU 78 11.781 11.729 -3.333 576 1HB GLU 78 HB2 GLU 78 11.253 13.440 -5.007 577 2HB GLU 78 HB1 GLU 78 12.933 13.362 -5.555 578 1HG GLU 78 HG2 GLU 78 11.597 12.151 -7.196 579 2HG GLU 78 HG1 GLU 78 12.514 10.999 -6.219 580 H ASN 79 H ASN 79 13.155 10.135 -2.558 581 HA ASN 79 HA ASN 79 15.098 9.115 -4.430 582 1HB ASN 79 HB2 ASN 79 15.980 9.857 -1.609 583 2HB ASN 79 HB1 ASN 79 16.934 8.917 -2.743 584 1HD2 ASN 79 HD21 ASN 79 15.668 11.959 -1.952 585 2HD2 ASN 79 HD22 ASN 79 16.531 12.964 -3.046 586 H PHE 80 H PHE 80 13.722 7.430 -4.525 587 HA PHE 80 HA PHE 80 13.521 5.762 -2.139 588 1HB PHE 80 HB2 PHE 80 11.686 6.319 -4.363 589 2HB PHE 80 HB1 PHE 80 11.923 4.605 -4.047 590 HD1 PHE 80 HD1 PHE 80 11.621 3.873 -1.581 591 HD2 PHE 80 HD2 PHE 80 10.206 7.533 -3.198 592 HE1 PHE 80 HE1 PHE 80 9.886 3.911 0.110 593 HE2 PHE 80 HE2 PHE 80 8.438 7.585 -1.408 594 HZ PHE 80 HZ PHE 80 8.291 5.773 0.200 595 H LYS 81 H LYS 81 14.181 3.684 -2.219 596 HA LYS 81 HA LYS 81 15.901 2.942 -4.488 597 1HB LYS 81 HB2 LYS 81 17.454 2.118 -2.971 598 2HB LYS 81 HB1 LYS 81 16.645 3.333 -1.968 599 1HG LYS 81 HG2 LYS 81 15.281 1.702 -0.934 600 2HG LYS 81 HG1 LYS 81 15.891 0.444 -2.003 601 1HD LYS 81 HD2 LYS 81 18.194 1.017 -1.043 602 2HD LYS 81 HD1 LYS 81 17.278 1.866 0.216 603 1HE LYS 81 HE2 LYS 81 15.971 -0.190 0.583 604 2HE LYS 81 HE1 LYS 81 17.011 -0.993 -0.584 605 1HZ LYS 81 HZ1 LYS 81 17.692 -1.395 1.765 606 2HZ LYS 81 HZ2 LYS 81 17.989 0.256 1.948 607 3HZ LYS 81 HZ3 LYS 81 18.901 -0.641 0.875 608 H LEU 82 H LEU 82 16.034 0.412 -4.647 609 HA LEU 82 HA LEU 82 13.405 -0.681 -4.089 610 1HB LEU 82 HB2 LEU 82 13.369 -1.811 -6.277 611 2HB LEU 82 HB1 LEU 82 13.319 -0.073 -6.428 612 HG LEU 82 HG LEU 82 15.893 -1.584 -6.757 613 1HD1 LEU 82 HD11 LEU 82 14.251 -2.565 -8.311 614 2HD1 LEU 82 HD12 LEU 82 15.436 -1.603 -9.193 615 3HD1 LEU 82 HD13 LEU 82 13.827 -0.953 -8.889 616 1HD2 LEU 82 HD21 LEU 82 14.906 1.055 -7.867 617 2HD2 LEU 82 HD22 LEU 82 16.490 0.340 -8.172 618 3HD2 LEU 82 HD23 LEU 82 16.053 0.854 -6.540 619 H THR 83 H THR 83 13.560 -2.450 -2.951 620 HA THR 83 HA THR 83 15.867 -4.147 -3.336 621 HB THR 83 HB THR 83 16.419 -2.883 -1.412 622 HG1 THR 83 HG1 THR 83 17.022 -4.540 -0.430 623 1HG2 THR 83 HG21 THR 83 14.188 -1.981 -0.868 624 2HG2 THR 83 HG22 THR 83 15.008 -2.606 0.558 625 3HG2 THR 83 HG23 THR 83 13.733 -3.556 -0.210 626 H MET 84 H MET 84 14.981 -6.171 -3.896 627 HA MET 84 HA MET 84 12.171 -6.530 -3.082 628 1HB MET 84 HB2 MET 84 12.738 -6.891 -5.451 629 2HB MET 84 HB1 MET 84 13.923 -8.088 -4.946 630 1HG MET 84 HG2 MET 84 12.133 -9.499 -4.085 631 2HG MET 84 HG1 MET 84 10.944 -8.311 -4.621 632 1HE MET 84 HE1 MET 84 9.692 -10.209 -5.957 633 2HE MET 84 HE2 MET 84 10.906 -11.407 -5.493 634 3HE MET 84 HE3 MET 84 10.458 -11.215 -7.186 635 H VAL 85 H VAL 85 12.163 -7.233 -1.075 636 HA VAL 85 HA VAL 85 13.106 -9.905 -0.663 637 HB VAL 85 HB VAL 85 13.853 -9.061 1.755 638 1HG1 VAL 85 HG11 VAL 85 16.176 -8.839 0.959 639 2HG1 VAL 85 HG12 VAL 85 15.571 -8.712 -0.700 640 3HG1 VAL 85 HG13 VAL 85 15.347 -10.204 0.209 641 1HG2 VAL 85 HG21 VAL 85 14.402 -6.631 0.043 642 2HG2 VAL 85 HG22 VAL 85 14.950 -6.867 1.706 643 3HG2 VAL 85 HG23 VAL 85 13.226 -6.710 1.354 644 H LYS 86 H LYS 86 11.027 -10.749 -0.266 645 HA LYS 86 HA LYS 86 9.776 -9.488 2.034 646 1HB LYS 86 HB2 LYS 86 8.679 -8.780 -0.222 647 2HB LYS 86 HB1 LYS 86 8.036 -10.420 -0.231 648 1HG LYS 86 HG2 LYS 86 6.366 -8.983 0.599 649 2HG LYS 86 HG1 LYS 86 6.977 -9.946 1.938 650 1HD LYS 86 HD2 LYS 86 8.213 -8.178 2.853 651 2HD LYS 86 HD1 LYS 86 8.193 -7.284 1.350 652 1HE LYS 86 HE2 LYS 86 6.007 -6.442 1.715 653 2HE LYS 86 HE1 LYS 86 5.617 -7.701 2.879 654 1HZ LYS 86 HZ1 LYS 86 7.650 -5.575 3.221 655 2HZ LYS 86 HZ2 LYS 86 7.209 -6.732 4.375 656 3HZ LYS 86 HZ3 LYS 86 6.083 -5.575 3.922 657 H ARG 87 H ARG 87 9.699 -10.936 3.521 658 HA ARG 87 HA ARG 87 9.321 -13.687 2.654 659 1HB ARG 87 HB2 ARG 87 11.081 -12.711 4.930 660 2HB ARG 87 HB1 ARG 87 10.740 -14.400 4.586 661 1HG ARG 87 HG2 ARG 87 12.844 -14.088 3.607 662 2HG ARG 87 HG1 ARG 87 11.738 -13.911 2.251 663 1HD ARG 87 HD2 ARG 87 13.322 -12.165 2.018 664 2HD ARG 87 HD1 ARG 87 11.854 -11.408 2.622 665 HE ARG 87 HE ARG 87 13.899 -12.198 4.541 666 1HH1 ARG 87 HH11 ARG 87 12.269 -9.470 2.911 667 2HH1 ARG 87 HH12 ARG 87 12.996 -8.299 3.883 668 1HH2 ARG 87 HH21 ARG 87 14.907 -10.540 5.832 669 2HH2 ARG 87 HH22 ARG 87 14.551 -8.905 5.579 670 H ASN 88 H ASN 88 8.046 -14.997 3.902 671 HA ASN 88 HA ASN 88 6.397 -15.642 5.252 672 1HB ASN 88 HB2 ASN 88 7.684 -14.603 7.167 673 2HB ASN 88 HB1 ASN 88 6.813 -13.100 6.890 674 1HD2 ASN 88 HD21 ASN 88 5.913 -13.120 8.960 675 2HD2 ASN 88 HD22 ASN 88 4.675 -14.206 9.430 676 H ASN 89 H ASN 89 6.188 -13.872 2.964 677 HA ASN 89 HA ASN 89 3.350 -13.243 3.236 678 1HB ASN 89 HB2 ASN 89 5.361 -11.225 2.171 679 2HB ASN 89 HB1 ASN 89 3.623 -11.075 2.002 680 1HD2 ASN 89 HD21 ASN 89 6.358 -10.783 4.133 681 2HD2 ASN 89 HD22 ASN 89 5.508 -10.022 5.404 682 H GLN 90 H GLN 90 5.595 -12.261 0.696 683 HA GLN 90 HA GLN 90 5.399 -14.460 -1.002 684 1HB GLN 90 HB2 GLN 90 4.149 -13.465 -2.820 685 2HB GLN 90 HB1 GLN 90 3.115 -13.404 -1.385 686 1HG GLN 90 HG2 GLN 90 4.741 -11.084 -2.273 687 2HG GLN 90 HG1 GLN 90 3.172 -11.394 -2.997 688 1HE2 GLN 90 HE21 GLN 90 4.915 -10.216 -0.338 689 2HE2 GLN 90 HE22 GLN 90 3.527 -9.693 0.582 690 H THR 91 H THR 91 6.533 -13.579 -3.163 691 HA THR 91 HA THR 91 8.561 -11.812 -2.124 692 HB THR 91 HB THR 91 9.870 -12.554 -4.140 693 HG1 THR 91 HG1 THR 91 9.044 -14.540 -5.070 694 1HG2 THR 91 HG21 THR 91 10.378 -14.765 -3.249 695 2HG2 THR 91 HG22 THR 91 8.840 -14.783 -2.401 696 3HG2 THR 91 HG23 THR 91 10.085 -13.648 -1.910 697 H ILE 92 H ILE 92 8.305 -9.791 -2.414 698 HA ILE 92 HA ILE 92 7.455 -8.708 -4.895 699 HB ILE 92 HB ILE 92 6.045 -6.998 -3.639 700 1HG1 ILE 92 HG12 ILE 92 4.957 -8.156 -1.570 701 2HG1 ILE 92 HG11 ILE 92 6.479 -9.006 -1.542 702 1HG2 ILE 92 HG21 ILE 92 4.999 -8.561 -5.062 703 2HG2 ILE 92 HG22 ILE 92 4.046 -8.456 -3.580 704 3HG2 ILE 92 HG23 ILE 92 5.112 -9.838 -3.857 705 1HD1 ILE 92 HD11 ILE 92 6.517 -7.013 -0.121 706 2HD1 ILE 92 HD12 ILE 92 6.323 -6.015 -1.569 707 3HD1 ILE 92 HD13 ILE 92 7.748 -7.021 -1.373 708 H PHE 93 H PHE 93 7.897 -6.283 -5.010 709 HA PHE 93 HA PHE 93 10.674 -6.019 -4.166 710 1HB PHE 93 HB2 PHE 93 8.892 -4.359 -5.948 711 2HB PHE 93 HB1 PHE 93 10.583 -4.023 -5.672 712 HD1 PHE 93 HD1 PHE 93 12.243 -5.230 -6.809 713 HD2 PHE 93 HD2 PHE 93 8.166 -6.297 -7.246 714 HE1 PHE 93 HE1 PHE 93 12.827 -6.613 -8.784 715 HE2 PHE 93 HE2 PHE 93 8.716 -7.684 -9.202 716 HZ PHE 93 HZ PHE 93 11.051 -7.841 -9.979 717 H GLU 94 H GLU 94 11.200 -4.698 -2.446 718 HA GLU 94 HA GLU 94 9.114 -3.053 -1.317 719 1HB GLU 94 HB2 GLU 94 11.789 -3.803 -0.105 720 2HB GLU 94 HB1 GLU 94 10.407 -3.096 0.702 721 1HG GLU 94 HG2 GLU 94 9.221 -5.267 -0.043 722 2HG GLU 94 HG1 GLU 94 10.878 -5.895 -0.093 723 H GLN 95 H GLN 95 9.454 -0.914 -0.992 724 HA GLN 95 HA GLN 95 11.769 0.218 -2.413 725 1HB GLN 95 HB2 GLN 95 9.371 0.360 -3.449 726 2HB GLN 95 HB1 GLN 95 9.098 1.590 -2.219 727 1HG GLN 95 HG2 GLN 95 10.937 2.890 -3.068 728 2HG GLN 95 HG1 GLN 95 11.311 1.633 -4.238 729 1HE2 GLN 95 HE21 GLN 95 9.161 4.222 -3.385 730 2HE2 GLN 95 HE22 GLN 95 8.464 4.376 -4.948 731 H THR 96 H THR 96 13.097 1.161 -0.958 732 HA THR 96 HA THR 96 11.942 2.283 1.516 733 HB THR 96 HB THR 96 14.794 1.915 1.573 734 HG1 THR 96 HG1 THR 96 14.214 -0.563 1.692 735 1HG2 THR 96 HG21 THR 96 14.202 0.558 3.565 736 2HG2 THR 96 HG22 THR 96 12.495 0.707 3.128 737 3HG2 THR 96 HG23 THR 96 13.409 2.127 3.551 738 H ILE 97 H ILE 97 13.175 4.131 2.410 739 HA ILE 97 HA ILE 97 14.249 5.852 0.273 740 HB ILE 97 HB ILE 97 13.240 6.819 2.967 741 1HG1 ILE 97 HG12 ILE 97 11.525 6.806 0.522 742 2HG1 ILE 97 HG11 ILE 97 11.571 5.340 1.484 743 1HG2 ILE 97 HG21 ILE 97 14.601 8.245 1.383 744 2HG2 ILE 97 HG22 ILE 97 13.028 8.878 1.763 745 3HG2 ILE 97 HG23 ILE 97 13.298 8.078 0.205 746 1HD1 ILE 97 HD11 ILE 97 10.449 8.033 2.139 747 2HD1 ILE 97 HD12 ILE 97 10.918 6.900 3.411 748 3HD1 ILE 97 HD13 ILE 97 9.710 6.431 2.235 749 H ASN 98 H ASN 98 16.038 7.108 0.856 750 HA ASN 98 HA ASN 98 17.784 5.766 2.761 751 1HB ASN 98 HB2 ASN 98 19.549 7.173 1.550 752 2HB ASN 98 HB1 ASN 98 18.798 5.882 0.608 753 1HD2 ASN 98 HD21 ASN 98 17.313 9.043 1.323 754 2HD2 ASN 98 HD22 ASN 98 17.320 9.591 -0.279 755 H ASP 99 H ASP 99 15.599 7.994 3.170 756 HA ASP 99 HA ASP 99 17.188 9.601 4.999 757 1HB ASP 99 HB2 ASP 99 17.346 10.542 2.667 758 2HB ASP 99 HB1 ASP 99 15.670 10.941 2.838 759 H LEU 100 H LEU 100 14.109 9.563 3.213 760 HA LEU 100 HA LEU 100 12.576 10.707 5.355 761 1HB LEU 100 HB2 LEU 100 11.540 9.295 2.913 762 2HB LEU 100 HB1 LEU 100 10.797 10.539 3.880 763 HG LEU 100 HG LEU 100 13.304 11.278 2.476 764 1HD1 LEU 100 HD11 LEU 100 10.578 11.030 1.252 765 2HD1 LEU 100 HD12 LEU 100 12.004 10.092 0.776 766 3HD1 LEU 100 HD13 LEU 100 11.954 11.835 0.503 767 1HD2 LEU 100 HD21 LEU 100 10.682 12.606 2.937 768 2HD2 LEU 100 HD22 LEU 100 12.143 13.346 2.313 769 3HD2 LEU 100 HD23 LEU 100 12.084 12.793 4.010 770 H THR 101 H THR 101 13.992 8.008 5.434 771 HA THR 101 HA THR 101 12.493 5.750 5.538 772 HB THR 101 HB THR 101 14.752 6.544 7.329 773 HG1 THR 101 HG1 THR 101 15.085 5.562 4.715 774 1HG2 THR 101 HG21 THR 101 14.163 3.969 5.829 775 2HG2 THR 101 HG22 THR 101 13.874 4.209 7.553 776 3HG2 THR 101 HG23 THR 101 15.524 4.235 6.918 777 H PHE 102 H PHE 102 12.377 8.426 7.680 778 HA PHE 102 HA PHE 102 11.614 7.108 10.092 779 1HB PHE 102 HB2 PHE 102 10.931 9.372 10.870 780 2HB PHE 102 HB1 PHE 102 12.557 9.345 10.206 781 HD1 PHE 102 HD1 PHE 102 13.081 10.520 8.158 782 HD2 PHE 102 HD2 PHE 102 9.124 10.525 9.716 783 HE1 PHE 102 HE1 PHE 102 12.490 12.391 6.662 784 HE2 PHE 102 HE2 PHE 102 8.525 12.378 8.223 785 HZ PHE 102 HZ PHE 102 10.206 13.310 6.688 Start of MODEL 3 1 HA MET 1 HA MET 1 -11.948 -8.446 -26.991 2 1HB MET 1 HB2 MET 1 -13.128 -9.003 -24.903 3 2HB MET 1 HB1 MET 1 -11.423 -8.710 -24.596 4 1HG MET 1 HG2 MET 1 -11.920 -6.516 -23.727 5 2HG MET 1 HG1 MET 1 -13.627 -6.708 -24.125 6 1HE MET 1 HE1 MET 1 -13.505 -6.753 -20.204 7 2HE MET 1 HE2 MET 1 -14.219 -5.991 -21.623 8 3HE MET 1 HE3 MET 1 -12.495 -5.810 -21.299 9 H ALA 2 H ALA 2 -14.237 -8.839 -27.223 10 HA ALA 2 HA ALA 2 -15.786 -6.362 -27.603 11 1HB ALA 2 HB1 ALA 2 -15.275 -7.556 -29.692 12 2HB ALA 2 HB2 ALA 2 -17.002 -7.594 -29.338 13 3HB ALA 2 HB3 ALA 2 -16.009 -9.019 -29.027 14 H HIS 3 H HIS 3 -15.499 -7.909 -25.183 15 HA HIS 3 HA HIS 3 -18.205 -8.985 -24.875 16 1HB HIS 3 HB2 HIS 3 -15.712 -9.756 -23.344 17 2HB HIS 3 HB1 HIS 3 -17.333 -10.332 -22.982 18 HD1 HIS 3 HD1 HIS 3 -18.337 -12.126 -24.650 19 HD2 HIS 3 HD2 HIS 3 -14.417 -10.990 -25.410 20 HE1 HIS 3 HE1 HIS 3 -17.421 -13.823 -26.243 21 H HIS 4 H HIS 4 -19.423 -8.138 -23.310 22 HA HIS 4 HA HIS 4 -18.382 -5.836 -21.943 23 1HB HIS 4 HB2 HIS 4 -20.594 -5.665 -23.019 24 2HB HIS 4 HB1 HIS 4 -21.195 -6.977 -22.020 25 HD1 HIS 4 HD1 HIS 4 -20.055 -3.336 -21.699 26 HD2 HIS 4 HD2 HIS 4 -22.240 -6.215 -19.638 27 HE1 HIS 4 HE1 HIS 4 -21.116 -2.153 -19.764 28 H HIS 5 H HIS 5 -16.927 -6.976 -20.692 29 HA HIS 5 HA HIS 5 -17.800 -8.810 -18.642 30 1HB HIS 5 HB2 HIS 5 -15.523 -8.921 -19.700 31 2HB HIS 5 HB1 HIS 5 -15.158 -7.350 -19.010 32 HD1 HIS 5 HD1 HIS 5 -13.817 -7.493 -16.877 33 HD2 HIS 5 HD2 HIS 5 -16.101 -10.902 -17.543 34 HE1 HIS 5 HE1 HIS 5 -13.296 -9.048 -14.994 35 H HIS 6 H HIS 6 -17.897 -8.302 -16.383 36 HA HIS 6 HA HIS 6 -18.840 -5.673 -15.892 37 1HB HIS 6 HB2 HIS 6 -19.696 -7.719 -14.690 38 2HB HIS 6 HB1 HIS 6 -18.148 -7.817 -13.863 39 HD1 HIS 6 HD1 HIS 6 -18.600 -7.101 -11.478 40 HD2 HIS 6 HD2 HIS 6 -20.563 -4.717 -14.257 41 HE1 HIS 6 HE1 HIS 6 -19.770 -5.315 -10.164 42 H HIS 7 H HIS 7 -17.683 -3.976 -15.463 43 HA HIS 7 HA HIS 7 -14.855 -4.195 -15.170 44 1HB HIS 7 HB2 HIS 7 -14.867 -1.705 -15.178 45 2HB HIS 7 HB1 HIS 7 -15.658 -2.415 -16.576 46 HD1 HIS 7 HD1 HIS 7 -16.243 -0.096 -13.728 47 HD2 HIS 7 HD2 HIS 7 -18.497 -2.125 -16.564 48 HE1 HIS 7 HE1 HIS 7 -18.493 1.011 -13.757 49 H HIS 8 H HIS 8 -13.686 -2.919 -13.549 50 HA HIS 8 HA HIS 8 -14.594 -3.737 -10.974 51 1HB HIS 8 HB2 HIS 8 -12.420 -2.851 -10.133 52 2HB HIS 8 HB1 HIS 8 -12.235 -4.011 -11.435 53 HD1 HIS 8 HD1 HIS 8 -10.454 -3.307 -13.057 54 HD2 HIS 8 HD2 HIS 8 -12.260 -0.051 -11.210 55 HE1 HIS 8 HE1 HIS 8 -9.241 -1.270 -13.880 56 H ASN 9 H ASN 9 -14.071 -2.077 -9.123 57 HA ASN 9 HA ASN 9 -16.134 -0.122 -9.182 58 1HB ASN 9 HB2 ASN 9 -15.331 -1.292 -7.138 59 2HB ASN 9 HB1 ASN 9 -13.799 -0.450 -7.273 60 1HD2 ASN 9 HD21 ASN 9 -17.074 0.949 -7.735 61 2HD2 ASN 9 HD22 ASN 9 -16.938 1.987 -6.370 62 H GLN 10 H GLN 10 -16.018 2.057 -9.653 63 HA GLN 10 HA GLN 10 -14.114 3.128 -11.316 64 1HB GLN 10 HB2 GLN 10 -15.926 4.577 -9.370 65 2HB GLN 10 HB1 GLN 10 -14.982 5.388 -10.600 66 1HG GLN 10 HG2 GLN 10 -17.255 5.209 -11.339 67 2HG GLN 10 HG1 GLN 10 -16.256 4.155 -12.330 68 1HE2 GLN 10 HE21 GLN 10 -18.047 2.945 -12.917 69 2HE2 GLN 10 HE22 GLN 10 -18.804 1.841 -11.816 70 H GLN 11 H GLN 11 -12.054 3.601 -11.006 71 HA GLN 11 HA GLN 11 -11.222 4.076 -8.263 72 1HB GLN 11 HB2 GLN 11 -10.294 2.062 -9.426 73 2HB GLN 11 HB1 GLN 11 -9.491 3.149 -10.549 74 1HG GLN 11 HG2 GLN 11 -7.958 2.442 -8.813 75 2HG GLN 11 HG1 GLN 11 -8.276 4.175 -8.702 76 1HE2 GLN 11 HE21 GLN 11 -10.502 1.676 -7.647 77 2HE2 GLN 11 HE22 GLN 11 -10.407 2.069 -5.971 78 H ASN 12 H ASN 12 -11.478 6.198 -8.130 79 HA ASN 12 HA ASN 12 -9.965 7.902 -9.958 80 1HB ASN 12 HB2 ASN 12 -12.223 8.642 -9.732 81 2HB ASN 12 HB1 ASN 12 -12.168 8.509 -7.980 82 1HD2 ASN 12 HD21 ASN 12 -11.194 10.401 -10.732 83 2HD2 ASN 12 HD22 ASN 12 -10.728 11.803 -9.850 84 H LYS 13 H LYS 13 -10.269 6.963 -6.600 85 HA LYS 13 HA LYS 13 -8.520 8.978 -5.686 86 1HB LYS 13 HB2 LYS 13 -8.473 7.795 -3.506 87 2HB LYS 13 HB1 LYS 13 -10.068 8.201 -4.090 88 1HG LYS 13 HG2 LYS 13 -10.501 5.882 -4.639 89 2HG LYS 13 HG1 LYS 13 -8.830 5.455 -4.263 90 1HD LYS 13 HD2 LYS 13 -9.131 5.979 -1.951 91 2HD LYS 13 HD1 LYS 13 -10.703 6.705 -2.258 92 1HE LYS 13 HE2 LYS 13 -10.083 3.784 -2.707 93 2HE LYS 13 HE1 LYS 13 -10.757 4.427 -1.212 94 1HZ LYS 13 HZ1 LYS 13 -12.652 5.251 -2.496 95 2HZ LYS 13 HZ2 LYS 13 -12.513 3.588 -2.606 96 3HZ LYS 13 HZ3 LYS 13 -12.046 4.547 -3.901 97 H LYS 14 H LYS 14 -7.952 5.559 -6.345 98 HA LYS 14 HA LYS 14 -6.266 4.318 -6.581 99 1HB LYS 14 HB2 LYS 14 -4.222 5.052 -7.858 100 2HB LYS 14 HB1 LYS 14 -5.734 5.461 -8.621 101 1HG LYS 14 HG2 LYS 14 -4.369 7.329 -8.973 102 2HG LYS 14 HG1 LYS 14 -5.410 7.794 -7.635 103 1HD LYS 14 HD2 LYS 14 -3.260 8.510 -7.017 104 2HD LYS 14 HD1 LYS 14 -3.545 7.017 -6.113 105 1HE LYS 14 HE2 LYS 14 -1.313 6.940 -6.972 106 2HE LYS 14 HE1 LYS 14 -2.280 5.783 -7.880 107 1HZ LYS 14 HZ1 LYS 14 -1.471 8.497 -8.738 108 2HZ LYS 14 HZ2 LYS 14 -2.482 7.532 -9.650 109 3HZ LYS 14 HZ3 LYS 14 -0.875 7.084 -9.417 110 H VAL 15 H VAL 15 -5.176 6.933 -4.744 111 HA VAL 15 HA VAL 15 -4.771 5.413 -2.543 112 HB VAL 15 HB VAL 15 -2.660 4.786 -4.033 113 1HG1 VAL 15 HG11 VAL 15 -1.771 7.419 -2.975 114 2HG1 VAL 15 HG12 VAL 15 -1.873 6.918 -4.673 115 3HG1 VAL 15 HG13 VAL 15 -0.704 6.154 -3.576 116 1HG2 VAL 15 HG21 VAL 15 -1.337 4.511 -2.010 117 2HG2 VAL 15 HG22 VAL 15 -3.057 4.062 -1.850 118 3HG2 VAL 15 HG23 VAL 15 -2.484 5.604 -1.204 119 H GLU 16 H GLU 16 -5.224 6.900 -0.948 120 HA GLU 16 HA GLU 16 -4.945 9.673 -1.806 121 1HB GLU 16 HB2 GLU 16 -6.617 8.594 0.452 122 2HB GLU 16 HB1 GLU 16 -6.629 10.246 -0.158 123 1HG GLU 16 HG2 GLU 16 -7.356 9.358 -2.349 124 2HG GLU 16 HG1 GLU 16 -7.449 7.765 -1.594 125 H GLY 17 H GLY 17 -5.079 8.523 1.550 126 1HA GLY 17 HA2 GLY 17 -2.310 9.300 1.750 127 2HA GLY 17 HA1 GLY 17 -3.479 10.115 2.826 128 H GLY 18 H GLY 18 -4.271 6.982 2.168 129 1HA GLY 18 HA2 GLY 18 -2.905 6.166 4.608 130 2HA GLY 18 HA1 GLY 18 -4.521 5.566 4.202 131 H TYR 19 H TYR 19 -3.711 3.435 4.432 132 HA TYR 19 HA TYR 19 -1.831 2.540 2.319 133 1HB TYR 19 HB2 TYR 19 -2.622 1.128 4.834 134 2HB TYR 19 HB1 TYR 19 -1.241 0.786 3.787 135 HD1 TYR 19 HD1 TYR 19 -2.131 2.082 6.859 136 HD2 TYR 19 HD2 TYR 19 0.379 2.979 3.542 137 HE1 TYR 19 HE1 TYR 19 -0.813 3.517 8.275 138 HE2 TYR 19 HE2 TYR 19 1.744 4.441 4.969 139 HH TYR 19 HH TYR 19 1.566 5.673 6.977 140 H GLU 20 H GLU 20 -2.634 1.745 0.721 141 HA GLU 20 HA GLU 20 -5.214 0.435 0.877 142 1HB GLU 20 HB2 GLU 20 -4.778 1.954 -1.066 143 2HB GLU 20 HB1 GLU 20 -3.386 0.976 -1.499 144 1HG GLU 20 HG2 GLU 20 -5.037 -1.014 -1.592 145 2HG GLU 20 HG1 GLU 20 -6.288 0.216 -1.635 146 H CYS 21 H CYS 21 -5.291 -1.630 0.671 147 HA CYS 21 HA CYS 21 -2.859 -3.267 0.634 148 1HB CYS 21 HB2 CYS 21 -5.716 -4.191 0.525 149 2HB CYS 21 HB1 CYS 21 -4.304 -5.176 0.882 150 H LYS 22 H LYS 22 -2.085 -4.151 -1.206 151 HA LYS 22 HA LYS 22 -2.938 -3.703 -3.805 152 1HB LYS 22 HB2 LYS 22 -0.728 -4.579 -3.139 153 2HB LYS 22 HB1 LYS 22 -1.454 -6.151 -2.819 154 1HG LYS 22 HG2 LYS 22 -2.239 -5.913 -5.319 155 2HG LYS 22 HG1 LYS 22 -0.894 -4.780 -5.411 156 1HD LYS 22 HD2 LYS 22 -0.078 -6.927 -6.094 157 2HD LYS 22 HD1 LYS 22 0.578 -6.602 -4.487 158 1HE LYS 22 HE2 LYS 22 -1.116 -7.980 -3.477 159 2HE LYS 22 HE1 LYS 22 -1.885 -8.246 -5.043 160 1HZ LYS 22 HZ1 LYS 22 0.739 -9.296 -4.092 161 2HZ LYS 22 HZ2 LYS 22 0.268 -9.297 -5.700 162 3HZ LYS 22 HZ3 LYS 22 -0.649 -10.138 -4.567 163 H TYR 23 H TYR 23 -4.169 -5.913 -1.514 164 HA TYR 23 HA TYR 23 -5.620 -7.401 -3.556 165 1HB TYR 23 HB2 TYR 23 -5.844 -8.856 -1.170 166 2HB TYR 23 HB1 TYR 23 -4.866 -9.257 -2.573 167 HD1 TYR 23 HD1 TYR 23 -2.492 -9.002 -2.526 168 HD2 TYR 23 HD2 TYR 23 -4.803 -7.750 0.810 169 HE1 TYR 23 HE1 TYR 23 -0.445 -8.833 -1.196 170 HE2 TYR 23 HE2 TYR 23 -2.748 -7.575 2.164 171 HH TYR 23 HH TYR 23 -0.440 -8.603 2.128 172 H CYS 24 H CYS 24 -6.209 -4.843 -1.703 173 HA CYS 24 HA CYS 24 -8.972 -5.230 -1.938 174 1HB CYS 24 HB2 CYS 24 -9.735 -5.294 0.380 175 2HB CYS 24 HB1 CYS 24 -8.492 -6.498 0.202 176 H THR 25 H THR 25 -9.501 -3.287 -2.779 177 HA THR 25 HA THR 25 -7.988 -1.023 -1.942 178 HB THR 25 HB THR 25 -10.327 -1.142 -3.897 179 HG1 THR 25 HG1 THR 25 -7.559 -0.762 -4.382 180 1HG2 THR 25 HG21 THR 25 -10.037 1.126 -2.930 181 2HG2 THR 25 HG22 THR 25 -9.567 1.093 -4.630 182 3HG2 THR 25 HG23 THR 25 -8.331 1.088 -3.376 183 H PHE 26 H PHE 26 -8.625 -1.578 0.139 184 HA PHE 26 HA PHE 26 -10.711 0.198 1.089 185 1HB PHE 26 HB2 PHE 26 -9.955 -2.534 2.217 186 2HB PHE 26 HB1 PHE 26 -10.954 -1.360 3.063 187 HD1 PHE 26 HD1 PHE 26 -13.258 -1.039 2.459 188 HD2 PHE 26 HD2 PHE 26 -10.800 -3.716 0.266 189 HE1 PHE 26 HE1 PHE 26 -15.254 -1.992 1.387 190 HE2 PHE 26 HE2 PHE 26 -12.785 -4.679 -0.807 191 HZ PHE 26 HZ PHE 26 -15.020 -3.817 -0.251 192 H GLN 27 H GLN 27 -9.568 1.739 1.847 193 HA GLN 27 HA GLN 27 -6.819 1.172 2.608 194 1HB GLN 27 HB2 GLN 27 -6.780 2.493 0.689 195 2HB GLN 27 HB1 GLN 27 -8.126 3.494 1.225 196 1HG GLN 27 HG2 GLN 27 -6.693 4.562 2.857 197 2HG GLN 27 HG1 GLN 27 -5.434 3.383 2.457 198 1HE2 GLN 27 HE21 GLN 27 -4.180 3.774 0.959 199 2HE2 GLN 27 HE22 GLN 27 -4.093 5.119 -0.123 200 H THR 28 H THR 28 -5.992 1.956 4.413 201 HA THR 28 HA THR 28 -7.581 3.766 5.948 202 HB THR 28 HB THR 28 -8.208 1.518 6.797 203 HG1 THR 28 HG1 THR 28 -8.392 2.483 8.556 204 1HG2 THR 28 HG21 THR 28 -6.108 0.309 6.327 205 2HG2 THR 28 HG22 THR 28 -6.570 0.134 8.016 206 3HG2 THR 28 HG23 THR 28 -5.287 1.239 7.576 207 HA PRO 29 HA PRO 29 -3.419 5.407 6.245 208 1HB PRO 29 HB2 PRO 29 -4.078 7.534 7.800 209 2HB PRO 29 HB1 PRO 29 -4.327 7.481 6.048 210 1HG PRO 29 HG2 PRO 29 -6.272 6.967 8.259 211 2HG PRO 29 HG1 PRO 29 -6.505 7.904 6.769 212 1HD PRO 29 HD2 PRO 29 -7.423 5.388 7.014 213 2HD PRO 29 HD1 PRO 29 -6.755 5.971 5.464 214 H ASP 30 H ASP 30 -5.124 3.870 8.543 215 HA ASP 30 HA ASP 30 -3.253 4.422 10.739 216 1HB ASP 30 HB2 ASP 30 -5.920 3.737 10.798 217 2HB ASP 30 HB1 ASP 30 -5.128 2.216 10.767 218 H LEU 31 H LEU 31 -1.408 3.255 10.672 219 HA LEU 31 HA LEU 31 -1.000 1.084 9.019 220 1HB LEU 31 HB2 LEU 31 0.605 2.686 10.331 221 2HB LEU 31 HB1 LEU 31 0.517 1.450 11.565 222 HG LEU 31 HG LEU 31 2.529 1.084 10.312 223 1HD1 LEU 31 HD11 LEU 31 0.435 -0.831 9.417 224 2HD1 LEU 31 HD12 LEU 31 1.380 -0.969 10.899 225 3HD1 LEU 31 HD13 LEU 31 2.170 -1.155 9.312 226 1HD2 LEU 31 HD21 LEU 31 0.785 1.097 7.901 227 2HD2 LEU 31 HD22 LEU 31 2.531 0.782 7.898 228 3HD2 LEU 31 HD23 LEU 31 1.893 2.367 8.387 229 H ASN 32 H ASN 32 -1.919 1.292 12.473 230 HA ASN 32 HA ASN 32 -1.677 -1.407 13.063 231 1HB ASN 32 HB2 ASN 32 -2.008 0.423 14.743 232 2HB ASN 32 HB1 ASN 32 -3.635 0.565 14.032 233 1HD2 ASN 32 HD21 ASN 32 -5.220 -0.765 14.572 234 2HD2 ASN 32 HD22 ASN 32 -5.065 -1.976 15.770 235 H MET 33 H MET 33 -4.380 0.543 11.940 236 HA MET 33 HA MET 33 -6.213 -1.666 11.898 237 1HB MET 33 HB2 MET 33 -6.462 0.863 10.257 238 2HB MET 33 HB1 MET 33 -7.723 -0.301 10.593 239 1HG MET 33 HG2 MET 33 -6.308 1.361 12.596 240 2HG MET 33 HG1 MET 33 -7.928 1.689 11.968 241 1HE MET 33 HE1 MET 33 -8.926 1.810 14.405 242 2HE MET 33 HE2 MET 33 -7.321 1.543 15.089 243 3HE MET 33 HE3 MET 33 -8.689 0.573 15.637 244 H PHE 34 H PHE 34 -4.047 -0.221 9.604 245 HA PHE 34 HA PHE 34 -4.840 -1.720 7.377 246 1HB PHE 34 HB2 PHE 34 -3.324 0.120 7.044 247 2HB PHE 34 HB1 PHE 34 -2.140 -0.562 8.119 248 HD1 PHE 34 HD1 PHE 34 -3.873 -1.194 4.869 249 HD2 PHE 34 HD2 PHE 34 -0.477 -1.966 7.317 250 HE1 PHE 34 HE1 PHE 34 -2.793 -2.346 2.995 251 HE2 PHE 34 HE2 PHE 34 0.613 -3.128 5.435 252 HZ PHE 34 HZ PHE 34 -0.556 -3.318 3.271 253 H THR 35 H THR 35 -2.253 -2.437 9.690 254 HA THR 35 HA THR 35 -1.821 -4.985 8.476 255 HB THR 35 HB THR 35 0.111 -3.990 9.555 256 HG1 THR 35 HG1 THR 35 -0.638 -6.441 9.924 257 1HG2 THR 35 HG21 THR 35 0.259 -3.767 12.022 258 2HG2 THR 35 HG22 THR 35 -1.458 -4.209 12.125 259 3HG2 THR 35 HG23 THR 35 -0.970 -2.729 11.294 260 H PHE 36 H PHE 36 -3.849 -3.860 10.983 261 HA PHE 36 HA PHE 36 -4.360 -6.314 12.229 262 1HB PHE 36 HB2 PHE 36 -4.960 -4.328 13.409 263 2HB PHE 36 HB1 PHE 36 -5.911 -3.704 12.108 264 HD1 PHE 36 HD1 PHE 36 -5.894 -7.056 13.691 265 HD2 PHE 36 HD2 PHE 36 -8.025 -3.493 12.934 266 HE1 PHE 36 HE1 PHE 36 -7.882 -8.017 14.837 267 HE2 PHE 36 HE2 PHE 36 -10.028 -4.425 14.042 268 HZ PHE 36 HZ PHE 36 -9.949 -6.694 14.993 269 H HIS 37 H HIS 37 -6.221 -4.555 9.757 270 HA HIS 37 HA HIS 37 -7.987 -6.737 9.489 271 1HB HIS 37 HB2 HIS 37 -9.204 -5.464 7.911 272 2HB HIS 37 HB1 HIS 37 -8.388 -4.247 8.887 273 HD1 HIS 37 HD1 HIS 37 -6.867 -2.614 7.655 274 HD2 HIS 37 HD2 HIS 37 -8.150 -5.786 5.302 275 HE1 HIS 37 HE1 HIS 37 -6.238 -2.011 5.269 276 H VAL 38 H VAL 38 -4.988 -5.919 8.044 277 HA VAL 38 HA VAL 38 -5.169 -7.680 5.824 278 HB VAL 38 HB VAL 38 -2.820 -6.425 7.214 279 1HG1 VAL 38 HG11 VAL 38 -2.749 -8.189 4.742 280 2HG1 VAL 38 HG12 VAL 38 -2.066 -8.592 6.315 281 3HG1 VAL 38 HG13 VAL 38 -1.375 -7.271 5.367 282 1HG2 VAL 38 HG21 VAL 38 -4.000 -6.023 4.471 283 2HG2 VAL 38 HG22 VAL 38 -2.582 -5.187 5.103 284 3HG2 VAL 38 HG23 VAL 38 -4.158 -4.942 5.854 285 H ASP 39 H ASP 39 -3.533 -7.972 8.975 286 HA ASP 39 HA ASP 39 -2.649 -10.602 8.445 287 1HB ASP 39 HB2 ASP 39 -1.515 -9.088 10.003 288 2HB ASP 39 HB1 ASP 39 -2.917 -9.107 11.048 289 H SER 40 H SER 40 -5.597 -9.351 9.490 290 HA SER 40 HA SER 40 -6.555 -11.810 10.666 291 1HB SER 40 HB2 SER 40 -7.337 -9.632 11.530 292 2HB SER 40 HB1 SER 40 -8.020 -9.257 9.954 293 HG SER 40 HG SER 40 -9.593 -10.743 10.242 294 H GLU 41 H GLU 41 -7.141 -9.913 7.676 295 HA GLU 41 HA GLU 41 -8.961 -12.055 6.845 296 1HB GLU 41 HB2 GLU 41 -8.593 -9.317 5.649 297 2HB GLU 41 HB1 GLU 41 -9.832 -10.484 5.207 298 1HG GLU 41 HG2 GLU 41 -9.530 -9.080 7.855 299 2HG GLU 41 HG1 GLU 41 -10.796 -8.819 6.659 300 H HIS 42 H HIS 42 -6.139 -10.289 5.629 301 HA HIS 42 HA HIS 42 -5.682 -12.443 3.766 302 1HB HIS 42 HB2 HIS 42 -4.738 -10.389 2.385 303 2HB HIS 42 HB1 HIS 42 -6.347 -11.036 2.064 304 HD1 HIS 42 HD1 HIS 42 -8.320 -9.423 2.875 305 HD2 HIS 42 HD2 HIS 42 -4.518 -7.819 3.379 306 HE1 HIS 42 HE1 HIS 42 -8.672 -6.997 3.367 307 HA PRO 43 HA PRO 43 -1.953 -11.229 6.308 308 1HB PRO 43 HB2 PRO 43 -1.401 -13.706 7.272 309 2HB PRO 43 HB1 PRO 43 -2.506 -12.599 8.091 310 1HG PRO 43 HG2 PRO 43 -3.106 -14.895 6.283 311 2HG PRO 43 HG1 PRO 43 -3.912 -14.424 7.791 312 1HD PRO 43 HD2 PRO 43 -4.943 -13.845 5.339 313 2HD PRO 43 HD1 PRO 43 -5.161 -12.791 6.749 314 H ASN 44 H ASN 44 -2.687 -13.753 4.055 315 HA ASN 44 HA ASN 44 -0.056 -13.559 2.856 316 1HB ASN 44 HB2 ASN 44 0.215 -15.534 4.226 317 2HB ASN 44 HB1 ASN 44 -1.348 -16.163 3.712 318 1HD2 ASN 44 HD21 ASN 44 1.949 -15.632 2.793 319 2HD2 ASN 44 HD22 ASN 44 1.924 -16.663 1.392 320 H VAL 45 H VAL 45 -0.385 -13.115 0.815 321 HA VAL 45 HA VAL 45 -2.511 -14.436 -0.678 322 HB VAL 45 HB VAL 45 -1.873 -11.514 -1.122 323 1HG1 VAL 45 HG11 VAL 45 -3.031 -12.678 -2.903 324 2HG1 VAL 45 HG12 VAL 45 -4.053 -11.432 -2.169 325 3HG1 VAL 45 HG13 VAL 45 -4.322 -13.123 -1.774 326 1HG2 VAL 45 HG21 VAL 45 -2.608 -11.608 1.149 327 2HG2 VAL 45 HG22 VAL 45 -4.054 -12.514 0.681 328 3HG2 VAL 45 HG23 VAL 45 -3.838 -10.833 0.145 329 H VAL 46 H VAL 46 -1.711 -14.781 -2.864 330 HA VAL 46 HA VAL 46 0.994 -13.847 -3.094 331 HB VAL 46 HB VAL 46 1.211 -16.125 -2.369 332 1HG1 VAL 46 HG11 VAL 46 -0.494 -16.929 -4.717 333 2HG1 VAL 46 HG12 VAL 46 -0.938 -17.008 -3.014 334 3HG1 VAL 46 HG13 VAL 46 0.349 -18.042 -3.640 335 1HG2 VAL 46 HG21 VAL 46 1.866 -15.945 -5.313 336 2HG2 VAL 46 HG22 VAL 46 2.518 -17.144 -4.203 337 3HG2 VAL 46 HG23 VAL 46 2.902 -15.438 -3.977 338 H LEU 47 H LEU 47 1.546 -12.926 -4.977 339 HA LEU 47 HA LEU 47 0.458 -13.723 -7.479 340 1HB LEU 47 HB2 LEU 47 -1.283 -12.157 -6.584 341 2HB LEU 47 HB1 LEU 47 -0.069 -10.903 -6.494 342 HG LEU 47 HG LEU 47 0.165 -11.036 -8.976 343 1HD1 LEU 47 HD11 LEU 47 -0.580 -13.308 -9.334 344 2HD1 LEU 47 HD12 LEU 47 -1.567 -12.184 -10.265 345 3HD1 LEU 47 HD13 LEU 47 -2.197 -12.884 -8.772 346 1HD2 LEU 47 HD21 LEU 47 -2.613 -10.475 -7.947 347 2HD2 LEU 47 HD22 LEU 47 -1.945 -9.897 -9.473 348 3HD2 LEU 47 HD23 LEU 47 -1.259 -9.344 -7.943 349 H ASN 48 H ASN 48 1.591 -12.591 -9.213 350 HA ASN 48 HA ASN 48 4.245 -12.964 -9.030 351 1HB ASN 48 HB2 ASN 48 2.867 -11.179 -11.012 352 2HB ASN 48 HB1 ASN 48 4.519 -11.752 -11.169 353 1HD2 ASN 48 HD21 ASN 48 4.176 -12.887 -13.012 354 2HD2 ASN 48 HD22 ASN 48 3.216 -14.314 -13.090 355 H SER 49 H SER 49 3.406 -9.577 -9.815 356 HA SER 49 HA SER 49 5.723 -8.831 -8.181 357 1HB SER 49 HB2 SER 49 6.243 -7.212 -10.081 358 2HB SER 49 HB1 SER 49 6.562 -8.920 -10.372 359 HG SER 49 HG SER 49 5.320 -8.725 -12.013 360 H SER 50 H SER 50 5.550 -7.024 -6.947 361 HA SER 50 HA SER 50 3.825 -4.900 -7.628 362 1HB SER 50 HB2 SER 50 2.224 -6.511 -6.567 363 2HB SER 50 HB1 SER 50 3.245 -6.533 -5.133 364 HG SER 50 HG SER 50 1.891 -4.268 -6.188 365 H TYR 51 H TYR 51 3.937 -3.315 -5.728 366 HA TYR 51 HA TYR 51 6.660 -3.274 -4.666 367 1HB TYR 51 HB2 TYR 51 5.013 -1.277 -6.075 368 2HB TYR 51 HB1 TYR 51 6.039 -0.729 -4.780 369 HD1 TYR 51 HD1 TYR 51 6.991 -3.425 -7.197 370 HD2 TYR 51 HD2 TYR 51 7.476 0.629 -6.023 371 HE1 TYR 51 HE1 TYR 51 8.869 -3.187 -8.772 372 HE2 TYR 51 HE2 TYR 51 9.354 0.866 -7.578 373 HH TYR 51 HH TYR 51 10.919 -0.415 -8.708 374 H VAL 52 H VAL 52 6.862 -2.660 -2.633 375 HA VAL 52 HA VAL 52 4.474 -1.841 -1.126 376 HB VAL 52 HB VAL 52 4.842 -4.258 -0.833 377 1HG1 VAL 52 HG11 VAL 52 7.174 -4.277 -1.344 378 2HG1 VAL 52 HG12 VAL 52 6.795 -5.103 0.168 379 3HG1 VAL 52 HG13 VAL 52 7.501 -3.486 0.205 380 1HG2 VAL 52 HG21 VAL 52 5.120 -4.412 1.582 381 2HG2 VAL 52 HG22 VAL 52 4.011 -3.137 1.085 382 3HG2 VAL 52 HG23 VAL 52 5.644 -2.719 1.613 383 H CYS 53 H CYS 53 4.895 -0.396 0.493 384 HA CYS 53 HA CYS 53 7.538 0.902 0.567 385 1HB CYS 53 HB2 CYS 53 5.581 2.332 0.623 386 2HB CYS 53 HB1 CYS 53 4.915 1.456 1.987 387 H VAL 54 H VAL 54 8.960 -0.419 1.623 388 HA VAL 54 HA VAL 54 8.387 -2.272 3.599 389 HB VAL 54 HB VAL 54 10.916 -1.018 4.119 390 1HG1 VAL 54 HG11 VAL 54 10.363 -3.295 4.654 391 2HG1 VAL 54 HG12 VAL 54 11.769 -3.152 3.558 392 3HG1 VAL 54 HG13 VAL 54 10.179 -3.572 2.906 393 1HG2 VAL 54 HG21 VAL 54 11.906 -1.664 1.906 394 2HG2 VAL 54 HG22 VAL 54 11.002 -0.166 2.012 395 3HG2 VAL 54 HG23 VAL 54 10.260 -1.549 1.256 396 H GLU 55 H GLU 55 8.862 1.130 3.805 397 HA GLU 55 HA GLU 55 9.463 1.354 6.501 398 1HB GLU 55 HB2 GLU 55 7.915 3.378 4.884 399 2HB GLU 55 HB1 GLU 55 8.933 3.688 6.281 400 1HG GLU 55 HG2 GLU 55 9.913 2.702 3.607 401 2HG GLU 55 HG1 GLU 55 9.948 4.373 4.149 402 H CYS 56 H CYS 56 6.537 1.229 4.695 403 HA CYS 56 HA CYS 56 4.849 1.421 7.135 404 1HB CYS 56 HB2 CYS 56 3.933 1.471 4.285 405 2HB CYS 56 HB1 CYS 56 3.050 2.011 5.713 406 H ASN 57 H ASN 57 6.113 -0.847 5.051 407 HA ASN 57 HA ASN 57 5.648 -2.925 4.284 408 1HB ASN 57 HB2 ASN 57 4.514 -2.851 7.002 409 2HB ASN 57 HB1 ASN 57 4.447 -4.385 6.082 410 1HD2 ASN 57 HD21 ASN 57 7.123 -3.882 4.888 411 2HD2 ASN 57 HD22 ASN 57 8.193 -4.161 6.197 412 H PHE 58 H PHE 58 4.109 -1.393 2.893 413 HA PHE 58 HA PHE 58 1.448 -2.588 3.032 414 1HB PHE 58 HB2 PHE 58 0.306 -0.634 3.271 415 2HB PHE 58 HB1 PHE 58 1.833 0.038 3.801 416 HD1 PHE 58 HD1 PHE 58 3.033 1.589 2.393 417 HD2 PHE 58 HD2 PHE 58 -0.558 -0.195 1.056 418 HE1 PHE 58 HE1 PHE 58 2.895 3.247 0.535 419 HE2 PHE 58 HE2 PHE 58 -0.717 1.434 -0.772 420 HZ PHE 58 HZ PHE 58 1.011 3.164 -1.033 421 H LEU 59 H LEU 59 0.823 -3.417 1.220 422 HA LEU 59 HA LEU 59 2.423 -3.021 -1.184 423 1HB LEU 59 HB2 LEU 59 0.755 -5.188 -0.076 424 2HB LEU 59 HB1 LEU 59 0.705 -5.024 -1.809 425 HG LEU 59 HG LEU 59 3.277 -5.413 -0.263 426 1HD1 LEU 59 HD11 LEU 59 1.712 -7.303 0.011 427 2HD1 LEU 59 HD12 LEU 59 3.109 -7.723 -0.984 428 3HD1 LEU 59 HD13 LEU 59 1.550 -7.379 -1.745 429 1HD2 LEU 59 HD21 LEU 59 2.540 -5.652 -3.185 430 2HD2 LEU 59 HD22 LEU 59 4.090 -6.068 -2.505 431 3HD2 LEU 59 HD23 LEU 59 3.546 -4.392 -2.481 432 H THR 60 H THR 60 1.501 -2.197 -3.033 433 HA THR 60 HA THR 60 -1.318 -1.375 -2.813 434 HB THR 60 HB THR 60 -0.394 0.671 -2.517 435 HG1 THR 60 HG1 THR 60 0.210 1.185 -5.073 436 1HG2 THR 60 HG21 THR 60 1.951 -0.067 -4.262 437 2HG2 THR 60 HG22 THR 60 1.907 -0.138 -2.506 438 3HG2 THR 60 HG23 THR 60 1.790 1.412 -3.310 439 H LYS 61 H LYS 61 -2.502 -1.068 -4.766 440 HA LYS 61 HA LYS 61 -1.917 -3.086 -6.696 441 1HB LYS 61 HB2 LYS 61 -4.060 -0.957 -6.677 442 2HB LYS 61 HB1 LYS 61 -3.938 -2.207 -7.902 443 1HG LYS 61 HG2 LYS 61 -4.209 -3.913 -6.131 444 2HG LYS 61 HG1 LYS 61 -4.419 -2.609 -4.961 445 1HD LYS 61 HD2 LYS 61 -6.400 -1.837 -6.120 446 2HD LYS 61 HD1 LYS 61 -6.170 -3.052 -7.379 447 1HE LYS 61 HE2 LYS 61 -6.494 -4.832 -5.722 448 2HE LYS 61 HE1 LYS 61 -6.689 -3.623 -4.458 449 1HZ LYS 61 HZ1 LYS 61 -8.647 -2.807 -5.565 450 2HZ LYS 61 HZ2 LYS 61 -8.831 -4.459 -5.247 451 3HZ LYS 61 HZ3 LYS 61 -8.499 -3.943 -6.805 452 H ARG 62 H ARG 62 -1.095 0.197 -6.450 453 HA ARG 62 HA ARG 62 0.023 -0.019 -9.145 454 1HB ARG 62 HB2 ARG 62 -0.354 2.306 -9.723 455 2HB ARG 62 HB1 ARG 62 -1.875 1.522 -9.368 456 1HG ARG 62 HG2 ARG 62 -0.446 3.224 -7.349 457 2HG ARG 62 HG1 ARG 62 -1.554 3.900 -8.541 458 1HD ARG 62 HD2 ARG 62 -2.178 1.851 -6.426 459 2HD ARG 62 HD1 ARG 62 -2.665 3.548 -6.458 460 HE ARG 62 HE ARG 62 -3.666 2.648 -8.789 461 1HH1 ARG 62 HH11 ARG 62 -4.042 1.436 -5.485 462 2HH1 ARG 62 HH12 ARG 62 -5.520 0.783 -5.674 463 1HH2 ARG 62 HH21 ARG 62 -5.742 1.719 -9.172 464 2HH2 ARG 62 HH22 ARG 62 -6.565 0.920 -7.889 465 H TYR 63 H TYR 63 1.978 0.713 -9.510 466 HA TYR 63 HA TYR 63 3.817 0.829 -7.418 467 1HB TYR 63 HB2 TYR 63 5.471 1.381 -9.135 468 2HB TYR 63 HB1 TYR 63 4.378 0.131 -9.714 469 HD1 TYR 63 HD1 TYR 63 2.598 0.738 -11.392 470 HD2 TYR 63 HD2 TYR 63 5.648 3.479 -10.250 471 HE1 TYR 63 HE1 TYR 63 2.126 2.097 -13.386 472 HE2 TYR 63 HE2 TYR 63 5.177 4.838 -12.241 473 HH TYR 63 HH TYR 63 2.405 4.363 -14.141 474 H ASP 64 H ASP 64 1.963 3.305 -8.957 475 HA ASP 64 HA ASP 64 3.295 5.675 -8.524 476 1HB ASP 64 HB2 ASP 64 0.377 5.115 -8.061 477 2HB ASP 64 HB1 ASP 64 1.088 6.709 -8.129 478 H ALA 65 H ALA 65 1.380 3.856 -6.217 479 HA ALA 65 HA ALA 65 1.175 5.883 -4.358 480 1HB ALA 65 HB1 ALA 65 1.004 2.919 -4.019 481 2HB ALA 65 HB2 ALA 65 -0.321 4.051 -4.293 482 3HB ALA 65 HB3 ALA 65 0.565 4.082 -2.774 483 H LEU 66 H LEU 66 3.819 3.799 -5.025 484 HA LEU 66 HA LEU 66 5.166 4.246 -2.506 485 1HB LEU 66 HB2 LEU 66 6.237 3.109 -5.055 486 2HB LEU 66 HB1 LEU 66 7.057 3.073 -3.508 487 HG LEU 66 HG LEU 66 6.262 0.929 -3.737 488 1HD1 LEU 66 HD11 LEU 66 4.492 0.616 -2.113 489 2HD1 LEU 66 HD12 LEU 66 4.088 2.327 -2.238 490 3HD1 LEU 66 HD13 LEU 66 5.656 1.838 -1.573 491 1HD2 LEU 66 HD21 LEU 66 4.924 1.297 -5.702 492 2HD2 LEU 66 HD22 LEU 66 3.666 2.054 -4.737 493 3HD2 LEU 66 HD23 LEU 66 4.028 0.332 -4.526 494 H SER 67 H SER 67 5.214 5.461 -5.772 495 HA SER 67 HA SER 67 7.634 6.996 -5.590 496 1HB SER 67 HB2 SER 67 5.269 6.757 -7.320 497 2HB SER 67 HB1 SER 67 6.454 8.016 -7.668 498 HG SER 67 HG SER 67 7.227 6.303 -8.798 499 H GLU 68 H GLU 68 4.241 7.633 -5.457 500 HA GLU 68 HA GLU 68 4.576 10.399 -4.860 501 1HB GLU 68 HB2 GLU 68 2.003 9.096 -4.182 502 2HB GLU 68 HB1 GLU 68 2.365 10.608 -5.001 503 1HG GLU 68 HG2 GLU 68 3.150 9.265 -6.979 504 2HG GLU 68 HG1 GLU 68 2.566 7.884 -6.150 505 H HIS 69 H HIS 69 4.592 7.557 -3.156 506 HA HIS 69 HA HIS 69 3.528 8.079 -0.657 507 1HB HIS 69 HB2 HIS 69 4.645 5.971 -1.556 508 2HB HIS 69 HB1 HIS 69 6.131 6.658 -0.882 509 HD1 HIS 69 HD1 HIS 69 2.705 5.494 0.199 510 HD2 HIS 69 HD2 HIS 69 6.467 6.254 1.652 511 HE1 HIS 69 HE1 HIS 69 2.667 4.673 2.588 512 H ASN 70 H ASN 70 7.020 8.587 -1.408 513 HA ASN 70 HA ASN 70 7.447 10.146 0.953 514 1HB ASN 70 HB2 ASN 70 9.657 10.641 -0.073 515 2HB ASN 70 HB1 ASN 70 9.312 8.927 0.094 516 1HD2 ASN 70 HD21 ASN 70 11.183 9.992 -1.470 517 2HD2 ASN 70 HD22 ASN 70 10.816 9.644 -3.153 518 H LEU 71 H LEU 71 6.051 10.868 -1.899 519 HA LEU 71 HA LEU 71 6.673 13.679 -1.917 520 1HB LEU 71 HB2 LEU 71 6.140 12.969 -4.059 521 2HB LEU 71 HB1 LEU 71 4.969 11.814 -3.477 522 HG LEU 71 HG LEU 71 3.341 13.563 -3.186 523 1HD1 LEU 71 HD11 LEU 71 3.752 15.843 -4.033 524 2HD1 LEU 71 HD12 LEU 71 5.412 15.406 -4.429 525 3HD1 LEU 71 HD13 LEU 71 4.894 15.463 -2.744 526 1HD2 LEU 71 HD21 LEU 71 4.584 13.568 -5.923 527 2HD2 LEU 71 HD22 LEU 71 2.939 14.068 -5.544 528 3HD2 LEU 71 HD23 LEU 71 3.433 12.395 -5.289 529 H LYS 72 H LYS 72 3.874 11.703 -1.058 530 HA LYS 72 HA LYS 72 2.762 14.035 0.306 531 1HB LYS 72 HB2 LYS 72 0.627 12.339 0.063 532 2HB LYS 72 HB1 LYS 72 0.959 13.701 -1.027 533 1HG LYS 72 HG2 LYS 72 2.317 11.963 -2.337 534 2HG LYS 72 HG1 LYS 72 1.527 10.753 -1.374 535 1HD LYS 72 HD2 LYS 72 0.214 12.743 -3.226 536 2HD LYS 72 HD1 LYS 72 0.395 11.011 -3.481 537 1HE LYS 72 HE2 LYS 72 -1.035 10.661 -1.444 538 2HE LYS 72 HE1 LYS 72 -1.303 12.397 -1.426 539 1HZ LYS 72 HZ1 LYS 72 -2.267 12.240 -3.638 540 2HZ LYS 72 HZ2 LYS 72 -3.105 11.259 -2.566 541 3HZ LYS 72 HZ3 LYS 72 -2.030 10.579 -3.659 542 H TYR 73 H TYR 73 3.314 10.670 0.732 543 HA TYR 73 HA TYR 73 2.094 10.551 3.347 544 1HB TYR 73 HB2 TYR 73 3.701 8.590 1.748 545 2HB TYR 73 HB1 TYR 73 3.043 8.190 3.337 546 HD1 TYR 73 HD1 TYR 73 1.179 6.838 3.204 547 HD2 TYR 73 HD2 TYR 73 1.792 9.725 0.160 548 HE1 TYR 73 HE1 TYR 73 -0.894 6.118 2.064 549 HE2 TYR 73 HE2 TYR 73 -0.235 9.006 -0.948 550 HH TYR 73 HH TYR 73 -2.417 6.905 0.642 551 H HIS 74 H HIS 74 5.428 10.046 2.085 552 HA HIS 74 HA HIS 74 6.437 10.877 4.757 553 1HB HIS 74 HB2 HIS 74 7.779 9.116 2.678 554 2HB HIS 74 HB1 HIS 74 8.540 9.590 4.186 555 HD1 HIS 74 HD1 HIS 74 6.020 8.734 6.047 556 HD2 HIS 74 HD2 HIS 74 7.775 6.503 3.029 557 HE1 HIS 74 HE1 HIS 74 5.392 6.349 6.513 558 HA PRO 75 HA PRO 75 7.678 14.042 1.528 559 1HB PRO 75 HB2 PRO 75 6.851 16.242 2.793 560 2HB PRO 75 HB1 PRO 75 5.705 15.203 1.928 561 1HG PRO 75 HG2 PRO 75 6.357 15.218 4.869 562 2HG PRO 75 HG1 PRO 75 4.754 15.248 4.098 563 1HD PRO 75 HD2 PRO 75 5.847 12.954 5.013 564 2HD PRO 75 HD1 PRO 75 4.853 13.031 3.544 565 H GLY 76 H GLY 76 9.385 15.440 1.485 566 1HA GLY 76 HA2 GLY 76 10.757 16.852 3.215 567 2HA GLY 76 HA1 GLY 76 11.201 15.245 3.777 568 H GLU 77 H GLU 77 11.397 13.954 1.309 569 HA GLU 77 HA GLU 77 13.153 15.366 -0.453 570 1HB GLU 77 HB2 GLU 77 15.073 13.848 -0.101 571 2HB GLU 77 HB1 GLU 77 14.739 14.777 1.349 572 1HG GLU 77 HG2 GLU 77 14.982 12.774 2.365 573 2HG GLU 77 HG1 GLU 77 13.314 12.554 1.825 574 H GLU 78 H GLU 78 13.924 13.560 -2.130 575 HA GLU 78 HA GLU 78 11.760 11.592 -2.260 576 1HB GLU 78 HB2 GLU 78 11.176 13.599 -3.601 577 2HB GLU 78 HB1 GLU 78 12.675 13.358 -4.488 578 1HG GLU 78 HG2 GLU 78 11.846 11.233 -5.314 579 2HG GLU 78 HG1 GLU 78 10.326 11.480 -4.443 580 H ASN 79 H ASN 79 13.327 10.033 -1.671 581 HA ASN 79 HA ASN 79 14.986 9.071 -3.875 582 1HB ASN 79 HB2 ASN 79 15.947 9.709 -1.114 583 2HB ASN 79 HB1 ASN 79 16.944 8.817 -2.288 584 1HD2 ASN 79 HD21 ASN 79 15.726 11.761 -1.215 585 2HD2 ASN 79 HD22 ASN 79 16.453 12.877 -2.316 586 H PHE 80 H PHE 80 13.661 7.270 -3.935 587 HA PHE 80 HA PHE 80 13.519 5.629 -1.521 588 1HB PHE 80 HB2 PHE 80 11.741 6.052 -3.802 589 2HB PHE 80 HB1 PHE 80 12.033 4.356 -3.479 590 HD1 PHE 80 HD1 PHE 80 11.595 3.559 -1.078 591 HD2 PHE 80 HD2 PHE 80 10.136 7.234 -2.582 592 HE1 PHE 80 HE1 PHE 80 9.791 3.518 0.587 593 HE2 PHE 80 HE2 PHE 80 8.346 7.214 -0.866 594 HZ PHE 80 HZ PHE 80 8.168 5.345 0.686 595 H LYS 81 H LYS 81 14.139 3.445 -1.613 596 HA LYS 81 HA LYS 81 15.950 2.756 -3.815 597 1HB LYS 81 HB2 LYS 81 17.451 1.909 -2.254 598 2HB LYS 81 HB1 LYS 81 16.618 3.073 -1.224 599 1HG LYS 81 HG2 LYS 81 15.218 1.390 -0.300 600 2HG LYS 81 HG1 LYS 81 15.815 0.199 -1.443 601 1HD LYS 81 HD2 LYS 81 18.114 0.688 -0.413 602 2HD LYS 81 HD1 LYS 81 17.154 1.432 0.883 603 1HE LYS 81 HE2 LYS 81 15.909 -0.632 1.196 604 2HE LYS 81 HE1 LYS 81 16.800 -1.365 -0.135 605 1HZ LYS 81 HZ1 LYS 81 18.818 -1.232 1.156 606 2HZ LYS 81 HZ2 LYS 81 17.669 -2.047 2.049 607 3HZ LYS 81 HZ3 LYS 81 18.030 -0.442 2.418 608 H LEU 82 H LEU 82 15.988 0.253 -4.073 609 HA LEU 82 HA LEU 82 13.404 -0.845 -3.332 610 1HB LEU 82 HB2 LEU 82 13.207 -2.021 -5.479 611 2HB LEU 82 HB1 LEU 82 13.137 -0.288 -5.669 612 HG LEU 82 HG LEU 82 15.701 -1.768 -6.139 613 1HD1 LEU 82 HD11 LEU 82 13.943 -2.853 -7.517 614 2HD1 LEU 82 HD12 LEU 82 15.052 -1.925 -8.525 615 3HD1 LEU 82 HD13 LEU 82 13.459 -1.272 -8.137 616 1HD2 LEU 82 HD21 LEU 82 15.748 0.688 -6.033 617 2HD2 LEU 82 HD22 LEU 82 14.549 0.764 -7.327 618 3HD2 LEU 82 HD23 LEU 82 16.149 0.102 -7.646 619 H THR 83 H THR 83 13.405 -2.831 -2.584 620 HA THR 83 HA THR 83 15.735 -4.482 -2.915 621 HB THR 83 HB THR 83 16.256 -3.371 -0.876 622 HG1 THR 83 HG1 THR 83 15.531 -5.235 0.706 623 1HG2 THR 83 HG21 THR 83 14.739 -3.134 1.044 624 2HG2 THR 83 HG22 THR 83 13.483 -3.981 0.147 625 3HG2 THR 83 HG23 THR 83 14.030 -2.399 -0.403 626 H MET 84 H MET 84 14.902 -6.563 -3.389 627 HA MET 84 HA MET 84 11.985 -6.819 -2.984 628 1HB MET 84 HB2 MET 84 12.917 -7.161 -5.257 629 2HB MET 84 HB1 MET 84 13.949 -8.416 -4.600 630 1HG MET 84 HG2 MET 84 11.981 -9.782 -4.102 631 2HG MET 84 HG1 MET 84 10.945 -8.524 -4.793 632 1HE MET 84 HE1 MET 84 10.948 -11.614 -5.877 633 2HE MET 84 HE2 MET 84 10.829 -11.281 -7.604 634 3HE MET 84 HE3 MET 84 9.888 -10.332 -6.456 635 H VAL 85 H VAL 85 11.763 -7.508 -0.960 636 HA VAL 85 HA VAL 85 12.570 -10.208 -0.435 637 HB VAL 85 HB VAL 85 13.068 -9.398 2.062 638 1HG1 VAL 85 HG11 VAL 85 15.475 -9.243 1.528 639 2HG1 VAL 85 HG12 VAL 85 15.055 -9.070 -0.183 640 3HG1 VAL 85 HG13 VAL 85 14.692 -10.570 0.664 641 1HG2 VAL 85 HG21 VAL 85 13.849 -6.959 0.440 642 2HG2 VAL 85 HG22 VAL 85 14.256 -7.231 2.133 643 3HG2 VAL 85 HG23 VAL 85 12.568 -7.018 1.652 644 H LYS 86 H LYS 86 10.459 -11.041 -0.207 645 HA LYS 86 HA LYS 86 8.951 -9.715 1.882 646 1HB LYS 86 HB2 LYS 86 8.147 -8.977 -0.487 647 2HB LYS 86 HB1 LYS 86 7.462 -10.614 -0.536 648 1HG LYS 86 HG2 LYS 86 5.797 -9.091 0.054 649 2HG LYS 86 HG1 LYS 86 6.150 -10.133 1.417 650 1HD LYS 86 HD2 LYS 86 7.344 -8.474 2.602 651 2HD LYS 86 HD1 LYS 86 7.594 -7.503 1.162 652 1HE LYS 86 HE2 LYS 86 5.377 -6.651 1.246 653 2HE LYS 86 HE1 LYS 86 4.866 -7.859 2.439 654 1HZ LYS 86 HZ1 LYS 86 6.431 -6.806 3.963 655 2HZ LYS 86 HZ2 LYS 86 5.257 -5.714 3.392 656 3HZ LYS 86 HZ3 LYS 86 6.856 -5.707 2.761 657 H ARG 87 H ARG 87 8.443 -11.161 3.316 658 HA ARG 87 HA ARG 87 8.577 -13.909 2.373 659 1HB ARG 87 HB2 ARG 87 9.302 -12.829 5.110 660 2HB ARG 87 HB1 ARG 87 9.352 -14.521 4.641 661 1HG ARG 87 HG2 ARG 87 11.608 -13.833 4.461 662 2HG ARG 87 HG1 ARG 87 10.992 -13.771 2.810 663 1HD ARG 87 HD2 ARG 87 12.331 -11.797 3.228 664 2HD ARG 87 HD1 ARG 87 10.644 -11.352 3.017 665 HE ARG 87 HE ARG 87 11.377 -11.742 5.754 666 1HH1 ARG 87 HH11 ARG 87 11.214 -9.248 3.165 667 2HH1 ARG 87 HH12 ARG 87 11.373 -7.965 4.238 668 1HH2 ARG 87 HH21 ARG 87 11.523 -9.921 7.190 669 2HH2 ARG 87 HH22 ARG 87 11.566 -8.336 6.582 670 H ASN 88 H ASN 88 7.149 -15.409 3.124 671 HA ASN 88 HA ASN 88 5.189 -16.307 3.757 672 1HB ASN 88 HB2 ASN 88 5.904 -15.609 6.023 673 2HB ASN 88 HB1 ASN 88 5.115 -14.054 5.800 674 1HD2 ASN 88 HD21 ASN 88 3.708 -17.186 4.816 675 2HD2 ASN 88 HD22 ASN 88 2.439 -17.137 5.973 676 H ASN 89 H ASN 89 5.261 -14.359 1.682 677 HA ASN 89 HA ASN 89 2.401 -13.869 1.452 678 1HB ASN 89 HB2 ASN 89 4.454 -11.649 1.122 679 2HB ASN 89 HB1 ASN 89 2.830 -11.552 0.470 680 1HD2 ASN 89 HD21 ASN 89 4.815 -11.416 3.302 681 2HD2 ASN 89 HD22 ASN 89 3.570 -10.867 4.372 682 H GLN 90 H GLN 90 4.935 -12.433 -0.458 683 HA GLN 90 HA GLN 90 5.233 -14.465 -2.365 684 1HB GLN 90 HB2 GLN 90 4.464 -13.212 -4.251 685 2HB GLN 90 HB1 GLN 90 3.070 -13.404 -3.172 686 1HG GLN 90 HG2 GLN 90 4.726 -10.940 -3.144 687 2HG GLN 90 HG1 GLN 90 3.592 -11.180 -4.463 688 1HE2 GLN 90 HE21 GLN 90 4.004 -10.396 -1.173 689 2HE2 GLN 90 HE22 GLN 90 2.349 -10.019 -0.816 690 H THR 91 H THR 91 6.875 -13.480 -3.955 691 HA THR 91 HA THR 91 8.291 -11.520 -2.411 692 HB THR 91 HB THR 91 10.184 -12.012 -4.064 693 HG1 THR 91 HG1 THR 91 9.391 -14.539 -4.488 694 1HG2 THR 91 HG21 THR 91 10.215 -12.774 -1.713 695 2HG2 THR 91 HG22 THR 91 10.879 -14.013 -2.759 696 3HG2 THR 91 HG23 THR 91 9.240 -14.166 -2.152 697 H ILE 92 H ILE 92 8.092 -9.611 -2.759 698 HA ILE 92 HA ILE 92 7.581 -8.476 -5.320 699 HB ILE 92 HB ILE 92 5.988 -6.846 -4.115 700 1HG1 ILE 92 HG12 ILE 92 4.664 -8.126 -2.287 701 2HG1 ILE 92 HG11 ILE 92 6.152 -9.042 -2.161 702 1HG2 ILE 92 HG21 ILE 92 5.154 -8.305 -5.784 703 2HG2 ILE 92 HG22 ILE 92 4.041 -8.315 -4.408 704 3HG2 ILE 92 HG23 ILE 92 5.155 -9.663 -4.663 705 1HD1 ILE 92 HD11 ILE 92 7.441 -7.120 -1.647 706 2HD1 ILE 92 HD12 ILE 92 6.061 -7.164 -0.558 707 3HD1 ILE 92 HD13 ILE 92 6.080 -6.057 -1.927 708 H PHE 93 H PHE 93 7.985 -6.070 -5.250 709 HA PHE 93 HA PHE 93 10.673 -5.919 -4.133 710 1HB PHE 93 HB2 PHE 93 9.125 -4.106 -5.974 711 2HB PHE 93 HB1 PHE 93 10.815 -3.904 -5.583 712 HD1 PHE 93 HD1 PHE 93 12.453 -5.419 -6.509 713 HD2 PHE 93 HD2 PHE 93 8.340 -5.740 -7.534 714 HE1 PHE 93 HE1 PHE 93 13.054 -6.810 -8.465 715 HE2 PHE 93 HE2 PHE 93 8.922 -7.131 -9.478 716 HZ PHE 93 HZ PHE 93 11.288 -7.666 -9.944 717 H GLU 94 H GLU 94 11.009 -4.828 -2.286 718 HA GLU 94 HA GLU 94 8.922 -3.132 -1.253 719 1HB GLU 94 HB2 GLU 94 11.446 -4.112 0.122 720 2HB GLU 94 HB1 GLU 94 10.080 -3.302 0.858 721 1HG GLU 94 HG2 GLU 94 8.819 -5.379 -0.168 722 2HG GLU 94 HG1 GLU 94 10.394 -6.132 0.123 723 H GLN 95 H GLN 95 9.304 -1.046 -0.838 724 HA GLN 95 HA GLN 95 11.755 0.033 -2.026 725 1HB GLN 95 HB2 GLN 95 9.455 0.266 -3.234 726 2HB GLN 95 HB1 GLN 95 9.109 1.469 -1.995 727 1HG GLN 95 HG2 GLN 95 10.960 2.789 -2.673 728 2HG GLN 95 HG1 GLN 95 11.513 1.524 -3.767 729 1HE2 GLN 95 HE21 GLN 95 9.247 4.102 -3.233 730 2HE2 GLN 95 HE22 GLN 95 8.684 4.180 -4.862 731 H THR 96 H THR 96 13.001 0.927 -0.500 732 HA THR 96 HA THR 96 11.764 1.990 1.982 733 HB THR 96 HB THR 96 14.612 1.515 2.152 734 HG1 THR 96 HG1 THR 96 12.931 -0.420 1.050 735 1HG2 THR 96 HG21 THR 96 12.199 0.296 3.536 736 2HG2 THR 96 HG22 THR 96 13.108 1.668 4.107 737 3HG2 THR 96 HG23 THR 96 13.860 0.066 4.054 738 H ILE 97 H ILE 97 12.925 3.858 2.962 739 HA ILE 97 HA ILE 97 14.104 5.615 0.872 740 HB ILE 97 HB ILE 97 12.985 6.592 3.517 741 1HG1 ILE 97 HG12 ILE 97 11.400 6.536 0.997 742 2HG1 ILE 97 HG11 ILE 97 11.395 5.100 2.005 743 1HG2 ILE 97 HG21 ILE 97 12.736 8.633 2.265 744 2HG2 ILE 97 HG22 ILE 97 13.166 7.836 0.756 745 3HG2 ILE 97 HG23 ILE 97 14.380 8.064 2.005 746 1HD1 ILE 97 HD11 ILE 97 10.639 6.716 3.860 747 2HD1 ILE 97 HD12 ILE 97 9.565 6.145 2.625 748 3HD1 ILE 97 HD13 ILE 97 10.182 7.789 2.500 749 H ASN 98 H ASN 98 15.838 6.929 1.486 750 HA ASN 98 HA ASN 98 17.576 5.690 3.482 751 1HB ASN 98 HB2 ASN 98 19.341 7.084 2.266 752 2HB ASN 98 HB1 ASN 98 18.635 5.754 1.347 753 1HD2 ASN 98 HD21 ASN 98 17.079 8.922 1.920 754 2HD2 ASN 98 HD22 ASN 98 17.105 9.398 0.301 755 H ASP 99 H ASP 99 15.366 7.870 3.767 756 HA ASP 99 HA ASP 99 16.916 9.660 5.494 757 1HB ASP 99 HB2 ASP 99 16.873 10.527 3.124 758 2HB ASP 99 HB1 ASP 99 15.163 10.738 3.329 759 H LEU 100 H LEU 100 13.814 9.414 3.852 760 HA LEU 100 HA LEU 100 12.226 10.361 6.063 761 1HB LEU 100 HB2 LEU 100 11.231 9.015 3.535 762 2HB LEU 100 HB1 LEU 100 10.438 10.158 4.577 763 HG LEU 100 HG LEU 100 12.898 11.118 3.289 764 1HD1 LEU 100 HD11 LEU 100 11.407 11.740 1.317 765 2HD1 LEU 100 HD12 LEU 100 10.374 10.386 1.833 766 3HD1 LEU 100 HD13 LEU 100 12.062 10.130 1.376 767 1HD2 LEU 100 HD21 LEU 100 10.169 12.278 3.664 768 2HD2 LEU 100 HD22 LEU 100 11.612 13.127 3.150 769 3HD2 LEU 100 HD23 LEU 100 11.507 12.485 4.805 770 H THR 101 H THR 101 13.827 7.838 6.103 771 HA THR 101 HA THR 101 12.413 5.463 6.144 772 HB THR 101 HB THR 101 14.690 6.196 7.961 773 HG1 THR 101 HG1 THR 101 15.036 5.447 5.272 774 1HG2 THR 101 HG21 THR 101 13.821 3.883 8.009 775 2HG2 THR 101 HG22 THR 101 15.462 3.957 7.367 776 3HG2 THR 101 HG23 THR 101 14.092 3.767 6.271 777 H PHE 102 H PHE 102 12.711 8.065 8.490 778 HA PHE 102 HA PHE 102 11.176 6.498 10.455 779 1HB PHE 102 HB2 PHE 102 13.043 8.818 10.942 780 2HB PHE 102 HB1 PHE 102 12.177 7.917 12.180 781 HD1 PHE 102 HD1 PHE 102 15.090 8.070 10.084 782 HD2 PHE 102 HD2 PHE 102 12.763 5.531 12.558 783 HE1 PHE 102 HE1 PHE 102 16.975 6.512 10.237 784 HE2 PHE 102 HE2 PHE 102 14.648 3.956 12.727 785 HZ PHE 102 HZ PHE 102 16.757 4.447 11.562 Start of MODEL 4 1 HA MET 1 HA MET 1 -31.962 14.171 1.060 2 1HB MET 1 HB2 MET 1 -33.508 14.252 3.030 3 2HB MET 1 HB1 MET 1 -32.841 12.665 2.730 4 1HG MET 1 HG2 MET 1 -31.208 13.095 4.566 5 2HG MET 1 HG1 MET 1 -32.060 14.603 4.894 6 1HE MET 1 HE1 MET 1 -32.443 13.912 7.412 7 2HE MET 1 HE2 MET 1 -31.543 12.426 7.108 8 3HE MET 1 HE3 MET 1 -33.112 12.357 7.907 9 H ALA 2 H ALA 2 -30.607 15.642 4.089 10 HA ALA 2 HA ALA 2 -31.498 18.175 2.997 11 1HB ALA 2 HB1 ALA 2 -32.245 17.604 5.269 12 2HB ALA 2 HB2 ALA 2 -31.245 19.056 5.238 13 3HB ALA 2 HB3 ALA 2 -30.561 17.526 5.786 14 H HIS 3 H HIS 3 -28.730 17.462 5.139 15 HA HIS 3 HA HIS 3 -27.216 19.280 3.479 16 1HB HIS 3 HB2 HIS 3 -25.469 19.305 5.172 17 2HB HIS 3 HB1 HIS 3 -27.029 19.523 5.940 18 HD1 HIS 3 HD1 HIS 3 -23.981 18.016 6.661 19 HD2 HIS 3 HD2 HIS 3 -27.907 16.673 6.838 20 HE1 HIS 3 HE1 HIS 3 -23.986 16.101 8.284 21 H HIS 4 H HIS 4 -27.314 15.875 4.134 22 HA HIS 4 HA HIS 4 -24.989 15.399 2.496 23 1HB HIS 4 HB2 HIS 4 -27.042 13.481 3.635 24 2HB HIS 4 HB1 HIS 4 -25.682 12.981 2.653 25 HD1 HIS 4 HD1 HIS 4 -26.231 12.062 5.680 26 HD2 HIS 4 HD2 HIS 4 -23.541 14.965 4.393 27 HE1 HIS 4 HE1 HIS 4 -24.452 12.187 7.433 28 H HIS 5 H HIS 5 -25.375 16.147 0.546 29 HA HIS 5 HA HIS 5 -27.329 14.661 -0.983 30 1HB HIS 5 HB2 HIS 5 -28.071 16.716 -2.234 31 2HB HIS 5 HB1 HIS 5 -28.603 16.643 -0.565 32 HD1 HIS 5 HD1 HIS 5 -28.146 18.719 0.823 33 HD2 HIS 5 HD2 HIS 5 -25.875 18.590 -2.661 34 HE1 HIS 5 HE1 HIS 5 -26.965 20.918 0.681 35 H HIS 6 H HIS 6 -24.438 16.612 -0.926 36 HA HIS 6 HA HIS 6 -23.846 15.705 -3.617 37 1HB HIS 6 HB2 HIS 6 -23.524 18.096 -3.271 38 2HB HIS 6 HB1 HIS 6 -22.506 17.794 -1.875 39 HD1 HIS 6 HD1 HIS 6 -22.433 17.552 -5.671 40 HD2 HIS 6 HD2 HIS 6 -19.857 17.356 -2.415 41 HE1 HIS 6 HE1 HIS 6 -20.103 17.578 -6.615 42 H HIS 7 H HIS 7 -23.314 13.601 -3.305 43 HA HIS 7 HA HIS 7 -20.846 13.199 -1.803 44 1HB HIS 7 HB2 HIS 7 -23.054 11.210 -2.409 45 2HB HIS 7 HB1 HIS 7 -21.465 10.733 -1.843 46 HD1 HIS 7 HD1 HIS 7 -21.430 10.307 0.616 47 HD2 HIS 7 HD2 HIS 7 -24.210 13.222 -0.421 48 HE1 HIS 7 HE1 HIS 7 -22.604 10.950 2.747 49 H HIS 8 H HIS 8 -19.324 13.482 -3.209 50 HA HIS 8 HA HIS 8 -19.639 12.516 -5.949 51 1HB HIS 8 HB2 HIS 8 -18.763 14.841 -5.448 52 2HB HIS 8 HB1 HIS 8 -17.343 14.087 -4.736 53 HD1 HIS 8 HD1 HIS 8 -15.537 13.151 -6.417 54 HD2 HIS 8 HD2 HIS 8 -18.946 14.700 -8.220 55 HE1 HIS 8 HE1 HIS 8 -15.018 13.302 -8.851 56 H ASN 9 H ASN 9 -18.428 11.642 -2.975 57 HA ASN 9 HA ASN 9 -17.339 9.892 -2.134 58 1HB ASN 9 HB2 ASN 9 -16.716 9.031 -4.988 59 2HB ASN 9 HB1 ASN 9 -16.232 8.128 -3.557 60 1HD2 ASN 9 HD21 ASN 9 -17.906 7.347 -5.784 61 2HD2 ASN 9 HD22 ASN 9 -19.427 6.894 -5.101 62 H GLN 10 H GLN 10 -15.709 10.436 -1.035 63 HA GLN 10 HA GLN 10 -13.790 12.274 -2.073 64 1HB GLN 10 HB2 GLN 10 -13.717 10.776 0.550 65 2HB GLN 10 HB1 GLN 10 -12.791 12.211 0.145 66 1HG GLN 10 HG2 GLN 10 -15.783 12.043 0.433 67 2HG GLN 10 HG1 GLN 10 -14.664 12.741 1.594 68 1HE2 GLN 10 HE21 GLN 10 -13.023 14.116 -0.438 69 2HE2 GLN 10 HE22 GLN 10 -14.027 15.401 -1.003 70 H GLN 11 H GLN 11 -13.978 8.912 -1.484 71 HA GLN 11 HA GLN 11 -11.250 8.210 -1.605 72 1HB GLN 11 HB2 GLN 11 -13.561 6.447 -2.444 73 2HB GLN 11 HB1 GLN 11 -11.980 5.931 -1.901 74 1HG GLN 11 HG2 GLN 11 -13.386 5.468 -0.102 75 2HG GLN 11 HG1 GLN 11 -12.632 6.995 0.352 76 1HE2 GLN 11 HE21 GLN 11 -15.571 5.460 -0.728 77 2HE2 GLN 11 HE22 GLN 11 -16.623 6.759 -0.304 78 H ASN 12 H ASN 12 -10.065 8.717 -3.324 79 HA ASN 12 HA ASN 12 -11.126 8.707 -5.997 80 1HB ASN 12 HB2 ASN 12 -8.380 9.187 -4.872 81 2HB ASN 12 HB1 ASN 12 -8.647 9.082 -6.604 82 1HD2 ASN 12 HD21 ASN 12 -9.159 10.907 -3.737 83 2HD2 ASN 12 HD22 ASN 12 -9.711 12.358 -4.508 84 H LYS 13 H LYS 13 -9.570 7.638 -7.680 85 HA LYS 13 HA LYS 13 -9.497 4.794 -7.069 86 1HB LYS 13 HB2 LYS 13 -9.062 4.439 -9.446 87 2HB LYS 13 HB1 LYS 13 -10.440 5.503 -9.241 88 1HG LYS 13 HG2 LYS 13 -8.994 7.432 -9.753 89 2HG LYS 13 HG1 LYS 13 -7.648 6.321 -9.994 90 1HD LYS 13 HD2 LYS 13 -8.864 5.218 -11.796 91 2HD LYS 13 HD1 LYS 13 -10.232 6.304 -11.542 92 1HE LYS 13 HE2 LYS 13 -7.452 7.121 -12.376 93 2HE LYS 13 HE1 LYS 13 -8.853 7.009 -13.433 94 1HZ LYS 13 HZ1 LYS 13 -8.619 8.856 -11.112 95 2HZ LYS 13 HZ2 LYS 13 -9.913 8.783 -12.197 96 3HZ LYS 13 HZ3 LYS 13 -8.393 9.267 -12.719 97 H LYS 14 H LYS 14 -7.579 7.314 -6.654 98 HA LYS 14 HA LYS 14 -5.103 5.837 -7.041 99 1HB LYS 14 HB2 LYS 14 -5.776 8.718 -6.917 100 2HB LYS 14 HB1 LYS 14 -4.171 8.250 -6.381 101 1HG LYS 14 HG2 LYS 14 -5.349 7.546 -9.050 102 2HG LYS 14 HG1 LYS 14 -4.311 8.950 -8.754 103 1HD LYS 14 HD2 LYS 14 -3.457 6.174 -8.018 104 2HD LYS 14 HD1 LYS 14 -3.164 6.821 -9.653 105 1HE LYS 14 HE2 LYS 14 -2.202 7.911 -6.999 106 2HE LYS 14 HE1 LYS 14 -1.241 7.024 -8.170 107 1HZ LYS 14 HZ1 LYS 14 -1.527 8.831 -9.736 108 2HZ LYS 14 HZ2 LYS 14 -0.846 9.379 -8.287 109 3HZ LYS 14 HZ3 LYS 14 -2.447 9.709 -8.614 110 H VAL 15 H VAL 15 -3.582 7.239 -5.122 111 HA VAL 15 HA VAL 15 -4.610 5.828 -2.823 112 HB VAL 15 HB VAL 15 -2.352 5.453 -4.020 113 1HG1 VAL 15 HG11 VAL 15 -0.436 6.700 -3.071 114 2HG1 VAL 15 HG12 VAL 15 -1.628 7.831 -2.399 115 3HG1 VAL 15 HG13 VAL 15 -1.505 7.623 -4.143 116 1HG2 VAL 15 HG21 VAL 15 -1.258 4.735 -1.912 117 2HG2 VAL 15 HG22 VAL 15 -2.961 4.267 -1.993 118 3HG2 VAL 15 HG23 VAL 15 -2.467 5.642 -1.014 119 H GLU 16 H GLU 16 -5.072 6.955 -0.952 120 HA GLU 16 HA GLU 16 -5.225 9.809 -1.367 121 1HB GLU 16 HB2 GLU 16 -6.633 8.083 0.646 122 2HB GLU 16 HB1 GLU 16 -6.977 9.781 0.303 123 1HG GLU 16 HG2 GLU 16 -7.068 7.632 -1.741 124 2HG GLU 16 HG1 GLU 16 -8.502 8.089 -0.800 125 H GLY 17 H GLY 17 -5.059 8.166 1.776 126 1HA GLY 17 HA2 GLY 17 -2.470 9.420 2.205 127 2HA GLY 17 HA1 GLY 17 -3.787 9.970 3.249 128 H GLY 18 H GLY 18 -4.322 6.814 2.598 129 1HA GLY 18 HA2 GLY 18 -2.893 6.045 5.038 130 2HA GLY 18 HA1 GLY 18 -4.441 5.381 4.514 131 H TYR 19 H TYR 19 -3.701 3.292 4.664 132 HA TYR 19 HA TYR 19 -1.687 2.443 2.653 133 1HB TYR 19 HB2 TYR 19 -2.570 0.928 5.067 134 2HB TYR 19 HB1 TYR 19 -1.118 0.683 4.098 135 HD1 TYR 19 HD1 TYR 19 0.353 3.049 4.040 136 HD2 TYR 19 HD2 TYR 19 -2.170 1.663 7.163 137 HE1 TYR 19 HE1 TYR 19 1.550 4.479 5.644 138 HE2 TYR 19 HE2 TYR 19 -1.016 3.042 8.751 139 HH TYR 19 HH TYR 19 0.893 5.564 7.852 140 H GLU 20 H GLU 20 -2.387 1.767 1.059 141 HA GLU 20 HA GLU 20 -4.973 0.511 0.933 142 1HB GLU 20 HB2 GLU 20 -4.347 2.068 -0.843 143 2HB GLU 20 HB1 GLU 20 -2.877 1.156 -1.149 144 1HG GLU 20 HG2 GLU 20 -4.304 -0.814 -1.728 145 2HG GLU 20 HG1 GLU 20 -5.702 0.249 -1.624 146 H CYS 21 H CYS 21 -5.116 -1.533 0.452 147 HA CYS 21 HA CYS 21 -2.798 -3.316 0.645 148 1HB CYS 21 HB2 CYS 21 -5.684 -3.990 0.151 149 2HB CYS 21 HB1 CYS 21 -4.398 -5.146 0.421 150 H LYS 22 H LYS 22 -1.845 -4.108 -1.102 151 HA LYS 22 HA LYS 22 -2.428 -3.680 -3.811 152 1HB LYS 22 HB2 LYS 22 -0.230 -4.276 -3.201 153 2HB LYS 22 HB1 LYS 22 -0.796 -5.636 -2.253 154 1HG LYS 22 HG2 LYS 22 -1.171 -5.756 -5.182 155 2HG LYS 22 HG1 LYS 22 0.469 -5.925 -4.550 156 1HD LYS 22 HD2 LYS 22 -0.318 -7.718 -3.050 157 2HD LYS 22 HD1 LYS 22 -1.938 -7.551 -3.743 158 1HE LYS 22 HE2 LYS 22 -1.106 -8.150 -5.884 159 2HE LYS 22 HE1 LYS 22 0.542 -8.241 -5.267 160 1HZ LYS 22 HZ1 LYS 22 -1.735 -9.982 -4.493 161 2HZ LYS 22 HZ2 LYS 22 -0.172 -10.095 -3.818 162 3HZ LYS 22 HZ3 LYS 22 -0.426 -10.441 -5.446 163 H TYR 23 H TYR 23 -3.932 -5.689 -1.617 164 HA TYR 23 HA TYR 23 -5.122 -7.320 -3.701 165 1HB TYR 23 HB2 TYR 23 -5.567 -8.747 -1.399 166 2HB TYR 23 HB1 TYR 23 -4.241 -9.036 -2.516 167 HD1 TYR 23 HD1 TYR 23 -1.977 -8.493 -1.914 168 HD2 TYR 23 HD2 TYR 23 -5.152 -7.499 0.697 169 HE1 TYR 23 HE1 TYR 23 -0.349 -8.002 -0.147 170 HE2 TYR 23 HE2 TYR 23 -3.529 -7.006 2.474 171 HH TYR 23 HH TYR 23 -1.178 -7.756 3.026 172 H CYS 24 H CYS 24 -5.878 -4.637 -2.096 173 HA CYS 24 HA CYS 24 -8.583 -4.929 -2.651 174 1HB CYS 24 HB2 CYS 24 -9.653 -4.889 -0.481 175 2HB CYS 24 HB1 CYS 24 -8.489 -6.212 -0.507 176 H THR 25 H THR 25 -9.163 -2.942 -3.320 177 HA THR 25 HA THR 25 -7.571 -0.786 -2.333 178 HB THR 25 HB THR 25 -9.832 -0.650 -4.375 179 HG1 THR 25 HG1 THR 25 -6.997 -0.709 -4.609 180 1HG2 THR 25 HG21 THR 25 -7.651 1.352 -3.691 181 2HG2 THR 25 HG22 THR 25 -9.360 1.543 -3.302 182 3HG2 THR 25 HG23 THR 25 -8.833 1.527 -4.985 183 H PHE 26 H PHE 26 -8.322 -1.437 -0.289 184 HA PHE 26 HA PHE 26 -10.401 0.359 0.687 185 1HB PHE 26 HB2 PHE 26 -11.164 -2.021 0.937 186 2HB PHE 26 HB1 PHE 26 -9.669 -2.393 1.783 187 HD1 PHE 26 HD1 PHE 26 -9.423 -1.930 4.105 188 HD2 PHE 26 HD2 PHE 26 -12.824 -0.482 1.986 189 HE1 PHE 26 HE1 PHE 26 -10.480 -1.313 6.235 190 HE2 PHE 26 HE2 PHE 26 -13.889 0.139 4.117 191 HZ PHE 26 HZ PHE 26 -12.715 -0.275 6.245 192 H GLN 27 H GLN 27 -9.309 1.869 1.674 193 HA GLN 27 HA GLN 27 -6.606 1.232 2.515 194 1HB GLN 27 HB2 GLN 27 -6.495 2.648 0.668 195 2HB GLN 27 HB1 GLN 27 -7.810 3.665 1.249 196 1HG GLN 27 HG2 GLN 27 -6.394 4.551 2.978 197 2HG GLN 27 HG1 GLN 27 -5.168 3.354 2.540 198 1HE2 GLN 27 HE21 GLN 27 -3.847 3.781 1.109 199 2HE2 GLN 27 HE22 GLN 27 -3.720 5.203 0.125 200 H THR 28 H THR 28 -5.849 1.919 4.430 201 HA THR 28 HA THR 28 -7.440 3.714 5.975 202 HB THR 28 HB THR 28 -8.336 1.552 6.720 203 HG1 THR 28 HG1 THR 28 -8.097 1.880 8.850 204 1HG2 THR 28 HG21 THR 28 -6.387 0.129 6.180 205 2HG2 THR 28 HG22 THR 28 -6.936 -0.113 7.839 206 3HG2 THR 28 HG23 THR 28 -5.506 0.849 7.529 207 HA PRO 29 HA PRO 29 -3.210 5.096 6.742 208 1HB PRO 29 HB2 PRO 29 -3.927 7.203 8.333 209 2HB PRO 29 HB1 PRO 29 -3.986 7.239 6.566 210 1HG PRO 29 HG2 PRO 29 -6.193 6.734 8.515 211 2HG PRO 29 HG1 PRO 29 -6.189 7.749 7.061 212 1HD PRO 29 HD2 PRO 29 -7.284 5.310 7.036 213 2HD PRO 29 HD1 PRO 29 -6.392 5.914 5.626 214 H ASP 30 H ASP 30 -5.361 3.708 8.896 215 HA ASP 30 HA ASP 30 -3.584 4.004 11.168 216 1HB ASP 30 HB2 ASP 30 -6.205 2.512 10.838 217 2HB ASP 30 HB1 ASP 30 -5.282 2.586 12.331 218 H LEU 31 H LEU 31 -1.775 2.837 10.821 219 HA LEU 31 HA LEU 31 -1.360 0.689 9.229 220 1HB LEU 31 HB2 LEU 31 0.216 2.179 10.678 221 2HB LEU 31 HB1 LEU 31 0.033 0.920 11.873 222 HG LEU 31 HG LEU 31 2.113 0.573 10.716 223 1HD1 LEU 31 HD11 LEU 31 0.997 -1.474 11.293 224 2HD1 LEU 31 HD12 LEU 31 1.827 -1.663 9.735 225 3HD1 LEU 31 HD13 LEU 31 0.077 -1.386 9.794 226 1HD2 LEU 31 HD21 LEU 31 0.508 0.535 8.196 227 2HD2 LEU 31 HD22 LEU 31 2.253 0.245 8.315 228 3HD2 LEU 31 HD23 LEU 31 1.565 1.826 8.738 229 H ASN 32 H ASN 32 -2.271 0.633 12.691 230 HA ASN 32 HA ASN 32 -2.203 -2.093 13.084 231 1HB ASN 32 HB2 ASN 32 -2.604 -0.404 14.933 232 2HB ASN 32 HB1 ASN 32 -4.223 -0.215 14.244 233 1HD2 ASN 32 HD21 ASN 32 -2.842 -3.355 14.255 234 2HD2 ASN 32 HD22 ASN 32 -3.873 -3.931 15.490 235 H MET 33 H MET 33 -4.796 -0.044 11.877 236 HA MET 33 HA MET 33 -6.622 -2.205 11.829 237 1HB MET 33 HB2 MET 33 -6.874 0.430 10.363 238 2HB MET 33 HB1 MET 33 -8.180 -0.676 10.763 239 1HG MET 33 HG2 MET 33 -6.469 0.802 12.704 240 2HG MET 33 HG1 MET 33 -8.103 1.269 12.240 241 1HE MET 33 HE1 MET 33 -6.951 0.774 15.263 242 2HE MET 33 HE2 MET 33 -8.337 -0.034 16.001 243 3HE MET 33 HE3 MET 33 -8.587 1.345 14.931 244 H PHE 34 H PHE 34 -4.377 -0.727 9.646 245 HA PHE 34 HA PHE 34 -5.232 -1.917 7.252 246 1HB PHE 34 HB2 PHE 34 -3.650 -0.096 7.147 247 2HB PHE 34 HB1 PHE 34 -2.526 -0.926 8.182 248 HD1 PHE 34 HD1 PHE 34 -4.231 -1.393 4.873 249 HD2 PHE 34 HD2 PHE 34 -0.745 -2.034 7.243 250 HE1 PHE 34 HE1 PHE 34 -3.081 -2.336 2.927 251 HE2 PHE 34 HE2 PHE 34 0.408 -2.980 5.288 252 HZ PHE 34 HZ PHE 34 -0.764 -3.136 3.125 253 H THR 35 H THR 35 -2.704 -2.892 9.522 254 HA THR 35 HA THR 35 -2.312 -5.327 8.114 255 HB THR 35 HB THR 35 -0.385 -4.412 9.228 256 HG1 THR 35 HG1 THR 35 -0.782 -6.588 10.911 257 1HG2 THR 35 HG21 THR 35 -1.907 -4.744 11.810 258 2HG2 THR 35 HG22 THR 35 -1.406 -3.231 11.055 259 3HG2 THR 35 HG23 THR 35 -0.194 -4.340 11.698 260 H PHE 36 H PHE 36 -4.298 -4.399 10.776 261 HA PHE 36 HA PHE 36 -4.939 -6.989 11.657 262 1HB PHE 36 HB2 PHE 36 -5.523 -5.301 13.159 263 2HB PHE 36 HB1 PHE 36 -6.307 -4.324 11.929 264 HD1 PHE 36 HD1 PHE 36 -6.642 -7.752 13.408 265 HD2 PHE 36 HD2 PHE 36 -8.588 -4.235 12.043 266 HE1 PHE 36 HE1 PHE 36 -8.810 -8.705 14.071 267 HE2 PHE 36 HE2 PHE 36 -10.763 -5.179 12.694 268 HZ PHE 36 HZ PHE 36 -10.871 -7.420 13.709 269 H HIS 37 H HIS 37 -6.597 -4.812 9.351 270 HA HIS 37 HA HIS 37 -8.483 -6.820 8.809 271 1HB HIS 37 HB2 HIS 37 -9.550 -5.357 7.330 272 2HB HIS 37 HB1 HIS 37 -8.660 -4.238 8.350 273 HD1 HIS 37 HD1 HIS 37 -7.137 -2.622 7.138 274 HD2 HIS 37 HD2 HIS 37 -8.415 -5.767 4.758 275 HE1 HIS 37 HE1 HIS 37 -6.484 -2.005 4.758 276 H VAL 38 H VAL 38 -5.350 -6.166 7.611 277 HA VAL 38 HA VAL 38 -5.480 -7.835 5.342 278 HB VAL 38 HB VAL 38 -3.147 -7.021 7.067 279 1HG1 VAL 38 HG11 VAL 38 -1.662 -7.919 5.285 280 2HG1 VAL 38 HG12 VAL 38 -3.084 -8.561 4.457 281 3HG1 VAL 38 HG13 VAL 38 -2.630 -9.189 6.041 282 1HG2 VAL 38 HG21 VAL 38 -4.071 -5.222 5.762 283 2HG2 VAL 38 HG22 VAL 38 -4.005 -6.194 4.298 284 3HG2 VAL 38 HG23 VAL 38 -2.511 -5.675 5.077 285 H ASP 39 H ASP 39 -4.303 -8.468 8.639 286 HA ASP 39 HA ASP 39 -3.783 -11.216 8.267 287 1HB ASP 39 HB2 ASP 39 -2.896 -9.875 10.160 288 2HB ASP 39 HB1 ASP 39 -4.517 -9.760 10.816 289 H SER 40 H SER 40 -6.635 -9.510 8.861 290 HA SER 40 HA SER 40 -8.181 -11.799 9.688 291 1HB SER 40 HB2 SER 40 -8.650 -9.592 10.646 292 2HB SER 40 HB1 SER 40 -8.991 -8.961 9.047 293 HG SER 40 HG SER 40 -10.756 -9.772 10.571 294 H GLU 41 H GLU 41 -8.018 -9.696 6.824 295 HA GLU 41 HA GLU 41 -10.105 -11.339 5.611 296 1HB GLU 41 HB2 GLU 41 -8.995 -8.669 4.769 297 2HB GLU 41 HB1 GLU 41 -10.278 -9.525 3.928 298 1HG GLU 41 HG2 GLU 41 -11.688 -9.409 5.895 299 2HG GLU 41 HG1 GLU 41 -10.373 -8.643 6.788 300 H HIS 42 H HIS 42 -6.776 -10.338 4.991 301 HA HIS 42 HA HIS 42 -6.620 -12.383 2.943 302 1HB HIS 42 HB2 HIS 42 -4.928 -10.295 2.087 303 2HB HIS 42 HB1 HIS 42 -6.341 -10.882 1.239 304 HD1 HIS 42 HD1 HIS 42 -8.500 -9.349 1.441 305 HD2 HIS 42 HD2 HIS 42 -5.157 -7.853 3.406 306 HE1 HIS 42 HE1 HIS 42 -9.045 -6.963 1.998 307 HA PRO 43 HA PRO 43 -3.210 -12.352 6.097 308 1HB PRO 43 HB2 PRO 43 -3.423 -14.941 6.914 309 2HB PRO 43 HB1 PRO 43 -4.382 -13.630 7.612 310 1HG PRO 43 HG2 PRO 43 -5.132 -15.589 5.480 311 2HG PRO 43 HG1 PRO 43 -6.076 -15.084 6.901 312 1HD PRO 43 HD2 PRO 43 -6.507 -14.078 4.430 313 2HD PRO 43 HD1 PRO 43 -6.706 -13.097 5.898 314 H ASN 44 H ASN 44 -4.103 -14.248 3.395 315 HA ASN 44 HA ASN 44 -1.335 -14.827 2.742 316 1HB ASN 44 HB2 ASN 44 -3.583 -16.860 2.583 317 2HB ASN 44 HB1 ASN 44 -2.069 -17.036 1.711 318 1HD2 ASN 44 HD21 ASN 44 -3.665 -17.312 4.736 319 2HD2 ASN 44 HD22 ASN 44 -2.343 -17.947 5.625 320 H VAL 45 H VAL 45 -0.880 -14.483 0.630 321 HA VAL 45 HA VAL 45 -3.104 -13.878 -1.188 322 HB VAL 45 HB VAL 45 -0.568 -12.246 -1.264 323 1HG1 VAL 45 HG11 VAL 45 -1.946 -10.547 -2.283 324 2HG1 VAL 45 HG12 VAL 45 -3.379 -11.521 -2.025 325 3HG1 VAL 45 HG13 VAL 45 -2.128 -12.073 -3.154 326 1HG2 VAL 45 HG21 VAL 45 -1.569 -10.516 0.117 327 2HG2 VAL 45 HG22 VAL 45 -1.315 -12.055 0.969 328 3HG2 VAL 45 HG23 VAL 45 -2.938 -11.602 0.447 329 H VAL 46 H VAL 46 -2.135 -13.791 -3.504 330 HA VAL 46 HA VAL 46 -0.224 -15.910 -3.567 331 HB VAL 46 HB VAL 46 -0.907 -16.358 -5.937 332 1HG1 VAL 46 HG11 VAL 46 -3.105 -17.296 -5.396 333 2HG1 VAL 46 HG12 VAL 46 -3.139 -16.336 -3.914 334 3HG1 VAL 46 HG13 VAL 46 -1.923 -17.597 -4.123 335 1HG2 VAL 46 HG21 VAL 46 -2.935 -15.291 -6.808 336 2HG2 VAL 46 HG22 VAL 46 -1.650 -14.114 -6.522 337 3HG2 VAL 46 HG23 VAL 46 -2.989 -14.247 -5.385 338 H LEU 47 H LEU 47 1.224 -15.931 -5.620 339 HA LEU 47 HA LEU 47 3.002 -13.721 -5.398 340 1HB LEU 47 HB2 LEU 47 3.036 -16.017 -7.350 341 2HB LEU 47 HB1 LEU 47 4.349 -14.903 -7.067 342 HG LEU 47 HG LEU 47 3.279 -16.872 -5.038 343 1HD1 LEU 47 HD11 LEU 47 5.378 -18.056 -5.422 344 2HD1 LEU 47 HD12 LEU 47 5.792 -16.907 -6.695 345 3HD1 LEU 47 HD13 LEU 47 4.404 -17.979 -6.889 346 1HD2 LEU 47 HD21 LEU 47 5.677 -15.043 -4.961 347 2HD2 LEU 47 HD22 LEU 47 5.307 -16.299 -3.784 348 3HD2 LEU 47 HD23 LEU 47 4.224 -14.920 -3.963 349 H ASN 48 H ASN 48 3.658 -12.210 -6.894 350 HA ASN 48 HA ASN 48 3.124 -12.037 -9.574 351 1HB ASN 48 HB2 ASN 48 1.423 -10.300 -9.767 352 2HB ASN 48 HB1 ASN 48 0.732 -11.559 -8.766 353 1HD2 ASN 48 HD21 ASN 48 0.299 -8.625 -9.072 354 2HD2 ASN 48 HD22 ASN 48 0.388 -7.973 -7.481 355 H SER 49 H SER 49 3.428 -9.399 -10.078 356 HA SER 49 HA SER 49 5.669 -8.602 -8.390 357 1HB SER 49 HB2 SER 49 6.137 -7.049 -10.311 358 2HB SER 49 HB1 SER 49 6.170 -8.758 -10.757 359 HG SER 49 HG SER 49 3.844 -7.182 -10.994 360 H SER 50 H SER 50 5.266 -6.994 -6.841 361 HA SER 50 HA SER 50 3.614 -4.783 -7.551 362 1HB SER 50 HB2 SER 50 3.140 -6.512 -5.121 363 2HB SER 50 HB1 SER 50 2.421 -4.934 -5.431 364 HG SER 50 HG SER 50 2.125 -6.578 -7.532 365 H TYR 51 H TYR 51 3.760 -3.190 -5.607 366 HA TYR 51 HA TYR 51 6.518 -3.183 -4.623 367 1HB TYR 51 HB2 TYR 51 4.958 -1.117 -6.065 368 2HB TYR 51 HB1 TYR 51 6.007 -0.596 -4.769 369 HD1 TYR 51 HD1 TYR 51 7.472 0.691 -6.025 370 HD2 TYR 51 HD2 TYR 51 6.801 -3.350 -7.147 371 HE1 TYR 51 HE1 TYR 51 9.354 0.825 -7.592 372 HE2 TYR 51 HE2 TYR 51 8.685 -3.224 -8.728 373 HH TYR 51 HH TYR 51 10.848 -0.517 -8.758 374 H VAL 52 H VAL 52 6.827 -2.516 -2.612 375 HA VAL 52 HA VAL 52 4.517 -1.653 -1.005 376 HB VAL 52 HB VAL 52 4.888 -4.065 -0.653 377 1HG1 VAL 52 HG11 VAL 52 7.205 -4.122 -1.267 378 2HG1 VAL 52 HG12 VAL 52 6.883 -4.898 0.284 379 3HG1 VAL 52 HG13 VAL 52 7.601 -3.289 0.245 380 1HG2 VAL 52 HG21 VAL 52 4.168 -2.852 1.302 381 2HG2 VAL 52 HG22 VAL 52 5.843 -2.471 1.706 382 3HG2 VAL 52 HG23 VAL 52 5.277 -4.144 1.757 383 H CYS 53 H CYS 53 4.999 -0.136 0.499 384 HA CYS 53 HA CYS 53 7.652 1.108 0.494 385 1HB CYS 53 HB2 CYS 53 5.695 2.531 0.608 386 2HB CYS 53 HB1 CYS 53 5.079 1.662 1.994 387 H VAL 54 H VAL 54 9.104 -0.240 1.520 388 HA VAL 54 HA VAL 54 8.594 -2.076 3.521 389 HB VAL 54 HB VAL 54 11.123 -0.791 3.989 390 1HG1 VAL 54 HG11 VAL 54 10.409 -3.358 2.773 391 2HG1 VAL 54 HG12 VAL 54 10.595 -3.075 4.524 392 3HG1 VAL 54 HG13 VAL 54 11.995 -2.947 3.419 393 1HG2 VAL 54 HG21 VAL 54 10.447 -1.388 1.135 394 2HG2 VAL 54 HG22 VAL 54 12.089 -1.398 1.751 395 3HG2 VAL 54 HG23 VAL 54 11.123 0.071 1.833 396 H GLU 55 H GLU 55 9.127 1.307 3.672 397 HA GLU 55 HA GLU 55 9.791 1.656 6.342 398 1HB GLU 55 HB2 GLU 55 8.163 3.586 4.706 399 2HB GLU 55 HB1 GLU 55 9.263 3.956 6.024 400 1HG GLU 55 HG2 GLU 55 10.105 2.825 3.362 401 2HG GLU 55 HG1 GLU 55 10.127 4.529 3.780 402 H CYS 56 H CYS 56 6.775 1.489 4.670 403 HA CYS 56 HA CYS 56 5.240 1.850 7.195 404 1HB CYS 56 HB2 CYS 56 4.218 1.713 4.385 405 2HB CYS 56 HB1 CYS 56 3.353 2.312 5.795 406 H ASN 57 H ASN 57 6.328 -0.493 5.063 407 HA ASN 57 HA ASN 57 5.705 -2.487 4.291 408 1HB ASN 57 HB2 ASN 57 4.910 -2.521 7.122 409 2HB ASN 57 HB1 ASN 57 4.668 -4.001 6.146 410 1HD2 ASN 57 HD21 ASN 57 7.165 -3.561 4.643 411 2HD2 ASN 57 HD22 ASN 57 8.393 -3.931 5.782 412 H PHE 58 H PHE 58 4.246 -1.166 2.954 413 HA PHE 58 HA PHE 58 1.574 -2.262 3.238 414 1HB PHE 58 HB2 PHE 58 0.414 -0.312 3.358 415 2HB PHE 58 HB1 PHE 58 1.918 0.379 3.937 416 HD1 PHE 58 HD1 PHE 58 3.198 1.856 2.481 417 HD2 PHE 58 HD2 PHE 58 -0.429 0.129 1.164 418 HE1 PHE 58 HE1 PHE 58 3.077 3.512 0.583 419 HE2 PHE 58 HE2 PHE 58 -0.556 1.756 -0.690 420 HZ PHE 58 HZ PHE 58 1.217 3.424 -0.978 421 H LEU 59 H LEU 59 0.919 -3.109 1.472 422 HA LEU 59 HA LEU 59 2.584 -2.843 -0.884 423 1HB LEU 59 HB2 LEU 59 0.972 -4.938 0.332 424 2HB LEU 59 HB1 LEU 59 0.731 -4.781 -1.389 425 HG LEU 59 HG LEU 59 3.422 -5.176 -0.125 426 1HD1 LEU 59 HD11 LEU 59 3.195 -7.496 -0.801 427 2HD1 LEU 59 HD12 LEU 59 1.625 -7.156 -1.524 428 3HD1 LEU 59 HD13 LEU 59 1.819 -7.084 0.225 429 1HD2 LEU 59 HD21 LEU 59 3.500 -4.135 -2.349 430 2HD2 LEU 59 HD22 LEU 59 2.425 -5.369 -2.983 431 3HD2 LEU 59 HD23 LEU 59 4.037 -5.808 -2.454 432 H THR 60 H THR 60 1.813 -1.940 -2.684 433 HA THR 60 HA THR 60 -1.055 -1.537 -2.883 434 HB THR 60 HB THR 60 -0.289 0.601 -2.264 435 HG1 THR 60 HG1 THR 60 -1.682 0.759 -3.996 436 1HG2 THR 60 HG21 THR 60 1.903 0.389 -4.334 437 2HG2 THR 60 HG22 THR 60 2.098 0.151 -2.606 438 3HG2 THR 60 HG23 THR 60 1.659 1.732 -3.205 439 H LYS 61 H LYS 61 -1.777 -1.274 -5.077 440 HA LYS 61 HA LYS 61 -0.255 -3.165 -6.711 441 1HB LYS 61 HB2 LYS 61 -2.411 -3.716 -7.743 442 2HB LYS 61 HB1 LYS 61 -2.406 -3.979 -6.006 443 1HG LYS 61 HG2 LYS 61 -3.492 -1.646 -5.860 444 2HG LYS 61 HG1 LYS 61 -3.773 -1.820 -7.585 445 1HD LYS 61 HD2 LYS 61 -4.778 -3.708 -5.439 446 2HD LYS 61 HD1 LYS 61 -5.737 -2.459 -6.211 447 1HE LYS 61 HE2 LYS 61 -6.350 -4.500 -7.245 448 2HE LYS 61 HE1 LYS 61 -5.311 -3.673 -8.398 449 1HZ LYS 61 HZ1 LYS 61 -3.516 -5.165 -7.846 450 2HZ LYS 61 HZ2 LYS 61 -4.882 -6.109 -8.131 451 3HZ LYS 61 HZ3 LYS 61 -4.386 -5.821 -6.562 452 H ARG 62 H ARG 62 -0.793 0.097 -6.657 453 HA ARG 62 HA ARG 62 -1.038 0.246 -9.590 454 1HB ARG 62 HB2 ARG 62 -1.637 2.557 -9.374 455 2HB ARG 62 HB1 ARG 62 -2.681 1.542 -8.394 456 1HG ARG 62 HG2 ARG 62 -1.452 2.188 -6.399 457 2HG ARG 62 HG1 ARG 62 -0.375 3.189 -7.382 458 1HD ARG 62 HD2 ARG 62 -2.195 4.463 -6.272 459 2HD ARG 62 HD1 ARG 62 -2.186 4.605 -8.030 460 HE ARG 62 HE ARG 62 -4.144 3.415 -8.136 461 1HH1 ARG 62 HH11 ARG 62 -3.043 3.597 -4.744 462 2HH1 ARG 62 HH12 ARG 62 -4.363 2.607 -4.246 463 1HH2 ARG 62 HH21 ARG 62 -5.941 2.132 -7.222 464 2HH2 ARG 62 HH22 ARG 62 -5.904 1.852 -5.518 465 H TYR 63 H TYR 63 1.404 0.388 -7.379 466 HA TYR 63 HA TYR 63 3.595 0.909 -7.497 467 1HB TYR 63 HB2 TYR 63 2.961 1.313 -10.408 468 2HB TYR 63 HB1 TYR 63 4.575 1.606 -9.775 469 HD1 TYR 63 HD1 TYR 63 1.966 -1.096 -9.450 470 HD2 TYR 63 HD2 TYR 63 6.046 -0.095 -10.136 471 HE1 TYR 63 HE1 TYR 63 2.508 -3.479 -9.694 472 HE2 TYR 63 HE2 TYR 63 6.589 -2.475 -10.376 473 HH TYR 63 HH TYR 63 4.196 -4.847 -10.703 474 H ASP 64 H ASP 64 1.709 3.468 -9.079 475 HA ASP 64 HA ASP 64 3.448 5.665 -8.661 476 1HB ASP 64 HB2 ASP 64 0.434 5.675 -8.500 477 2HB ASP 64 HB1 ASP 64 1.434 7.113 -8.531 478 H ALA 65 H ALA 65 1.429 4.047 -6.404 479 HA ALA 65 HA ALA 65 1.169 6.116 -4.539 480 1HB ALA 65 HB1 ALA 65 -0.316 4.263 -4.558 481 2HB ALA 65 HB2 ALA 65 0.516 4.271 -2.986 482 3HB ALA 65 HB3 ALA 65 0.999 3.148 -4.263 483 H LEU 66 H LEU 66 3.798 3.974 -5.167 484 HA LEU 66 HA LEU 66 5.118 4.444 -2.636 485 1HB LEU 66 HB2 LEU 66 6.213 3.303 -5.163 486 2HB LEU 66 HB1 LEU 66 7.020 3.283 -3.602 487 HG LEU 66 HG LEU 66 6.247 1.135 -3.833 488 1HD1 LEU 66 HD11 LEU 66 4.481 0.826 -2.193 489 2HD1 LEU 66 HD12 LEU 66 4.067 2.530 -2.345 490 3HD1 LEU 66 HD13 LEU 66 5.638 2.063 -1.668 491 1HD2 LEU 66 HD21 LEU 66 3.635 2.225 -4.817 492 2HD2 LEU 66 HD22 LEU 66 4.012 0.510 -4.599 493 3HD2 LEU 66 HD23 LEU 66 4.888 1.476 -5.795 494 H SER 67 H SER 67 5.114 5.684 -5.826 495 HA SER 67 HA SER 67 7.549 7.188 -5.719 496 1HB SER 67 HB2 SER 67 5.116 7.002 -7.347 497 2HB SER 67 HB1 SER 67 6.305 8.246 -7.750 498 HG SER 67 HG SER 67 6.351 6.024 -8.815 499 H GLU 68 H GLU 68 4.124 7.920 -5.586 500 HA GLU 68 HA GLU 68 4.465 10.641 -4.898 501 1HB GLU 68 HB2 GLU 68 1.969 9.307 -4.074 502 2HB GLU 68 HB1 GLU 68 2.267 10.823 -4.929 503 1HG GLU 68 HG2 GLU 68 2.872 9.433 -6.939 504 2HG GLU 68 HG1 GLU 68 2.324 8.083 -6.029 505 H HIS 69 H HIS 69 4.575 7.777 -3.229 506 HA HIS 69 HA HIS 69 3.599 8.237 -0.703 507 1HB HIS 69 HB2 HIS 69 4.764 6.185 -1.694 508 2HB HIS 69 HB1 HIS 69 6.229 6.936 -1.000 509 HD1 HIS 69 HD1 HIS 69 2.742 5.967 0.173 510 HD2 HIS 69 HD2 HIS 69 6.663 6.099 1.411 511 HE1 HIS 69 HE1 HIS 69 2.741 5.030 2.506 512 H ASN 70 H ASN 70 7.014 8.912 -1.597 513 HA ASN 70 HA ASN 70 7.419 10.421 0.820 514 1HB ASN 70 HB2 ASN 70 9.581 11.157 -0.144 515 2HB ASN 70 HB1 ASN 70 9.342 9.409 -0.123 516 1HD2 ASN 70 HD21 ASN 70 11.099 9.620 -1.503 517 2HD2 ASN 70 HD22 ASN 70 10.791 9.699 -3.239 518 H LEU 71 H LEU 71 5.918 11.195 -1.958 519 HA LEU 71 HA LEU 71 6.393 14.033 -1.923 520 1HB LEU 71 HB2 LEU 71 5.844 13.274 -4.056 521 2HB LEU 71 HB1 LEU 71 4.703 12.108 -3.448 522 HG LEU 71 HG LEU 71 3.073 13.820 -3.122 523 1HD1 LEU 71 HD11 LEU 71 5.134 15.670 -4.415 524 2HD1 LEU 71 HD12 LEU 71 4.589 15.772 -2.742 525 3HD1 LEU 71 HD13 LEU 71 3.466 16.121 -4.057 526 1HD2 LEU 71 HD21 LEU 71 3.110 12.652 -5.213 527 2HD2 LEU 71 HD22 LEU 71 4.281 13.787 -5.877 528 3HD2 LEU 71 HD23 LEU 71 2.645 14.326 -5.500 529 H LYS 72 H LYS 72 3.748 11.899 -1.006 530 HA LYS 72 HA LYS 72 2.575 14.130 0.457 531 1HB LYS 72 HB2 LYS 72 0.528 12.316 0.282 532 2HB LYS 72 HB1 LYS 72 0.727 13.719 -0.778 533 1HG LYS 72 HG2 LYS 72 2.105 12.109 -2.226 534 2HG LYS 72 HG1 LYS 72 1.429 10.822 -1.275 535 1HD LYS 72 HD2 LYS 72 -0.104 12.835 -2.916 536 2HD LYS 72 HD1 LYS 72 0.130 11.127 -3.290 537 1HE LYS 72 HE2 LYS 72 -1.158 10.549 -1.259 538 2HE LYS 72 HE1 LYS 72 -1.391 12.260 -0.953 539 1HZ LYS 72 HZ1 LYS 72 -3.305 11.267 -2.033 540 2HZ LYS 72 HZ2 LYS 72 -2.407 10.798 -3.346 541 3HZ LYS 72 HZ3 LYS 72 -2.635 12.447 -3.007 542 H TYR 73 H TYR 73 3.315 10.791 0.761 543 HA TYR 73 HA TYR 73 2.251 10.570 3.447 544 1HB TYR 73 HB2 TYR 73 3.781 8.697 1.695 545 2HB TYR 73 HB1 TYR 73 3.231 8.256 3.315 546 HD1 TYR 73 HD1 TYR 73 1.849 9.718 0.143 547 HD2 TYR 73 HD2 TYR 73 1.284 7.052 3.405 548 HE1 TYR 73 HE1 TYR 73 -0.234 8.995 -0.823 549 HE2 TYR 73 HE2 TYR 73 -0.839 6.328 2.432 550 HH TYR 73 HH TYR 73 -2.508 7.337 0.965 551 H HIS 74 H HIS 74 5.514 10.240 2.016 552 HA HIS 74 HA HIS 74 6.638 10.967 4.698 553 1HB HIS 74 HB2 HIS 74 7.937 9.380 2.460 554 2HB HIS 74 HB1 HIS 74 8.798 9.925 3.885 555 HD1 HIS 74 HD1 HIS 74 8.951 8.164 5.711 556 HD2 HIS 74 HD2 HIS 74 5.924 7.470 2.987 557 HE1 HIS 74 HE1 HIS 74 8.155 5.834 6.178 558 HA PRO 75 HA PRO 75 7.562 14.281 1.569 559 1HB PRO 75 HB2 PRO 75 6.753 16.393 2.971 560 2HB PRO 75 HB1 PRO 75 5.606 15.361 2.100 561 1HG PRO 75 HG2 PRO 75 6.357 15.279 5.015 562 2HG PRO 75 HG1 PRO 75 4.731 15.267 4.292 563 1HD PRO 75 HD2 PRO 75 5.947 12.991 5.076 564 2HD PRO 75 HD1 PRO 75 4.899 13.088 3.647 565 H GLY 76 H GLY 76 9.324 15.502 1.411 566 1HA GLY 76 HA2 GLY 76 10.691 17.014 3.098 567 2HA GLY 76 HA1 GLY 76 11.221 15.415 3.601 568 H GLU 77 H GLU 77 11.204 14.214 0.991 569 HA GLU 77 HA GLU 77 12.863 15.630 -0.806 570 1HB GLU 77 HB2 GLU 77 14.888 14.231 -0.522 571 2HB GLU 77 HB1 GLU 77 14.586 15.194 0.911 572 1HG GLU 77 HG2 GLU 77 14.964 13.246 2.015 573 2HG GLU 77 HG1 GLU 77 13.310 12.890 1.517 574 H GLU 78 H GLU 78 13.675 13.872 -2.471 575 HA GLU 78 HA GLU 78 11.639 11.767 -2.507 576 1HB GLU 78 HB2 GLU 78 10.974 13.715 -3.926 577 2HB GLU 78 HB1 GLU 78 12.457 13.429 -4.838 578 1HG GLU 78 HG2 GLU 78 11.679 11.224 -5.437 579 2HG GLU 78 HG1 GLU 78 10.179 11.490 -4.550 580 H ASN 79 H ASN 79 13.238 10.299 -1.922 581 HA ASN 79 HA ASN 79 14.920 9.356 -4.122 582 1HB ASN 79 HB2 ASN 79 15.878 10.054 -1.366 583 2HB ASN 79 HB1 ASN 79 16.876 9.149 -2.520 584 1HD2 ASN 79 HD21 ASN 79 15.556 12.112 -1.588 585 2HD2 ASN 79 HD22 ASN 79 16.300 13.202 -2.708 586 H PHE 80 H PHE 80 13.689 7.545 -4.220 587 HA PHE 80 HA PHE 80 13.503 5.856 -1.830 588 1HB PHE 80 HB2 PHE 80 11.722 6.416 -4.052 589 2HB PHE 80 HB1 PHE 80 11.960 4.696 -3.792 590 HD1 PHE 80 HD1 PHE 80 11.619 3.888 -1.349 591 HD2 PHE 80 HD2 PHE 80 10.120 7.551 -2.871 592 HE1 PHE 80 HE1 PHE 80 9.847 3.856 0.334 593 HE2 PHE 80 HE2 PHE 80 8.361 7.550 -1.139 594 HZ PHE 80 HZ PHE 80 8.220 5.680 0.444 595 H LYS 81 H LYS 81 14.168 3.743 -1.942 596 HA LYS 81 HA LYS 81 15.827 3.018 -4.265 597 1HB LYS 81 HB2 LYS 81 17.424 2.215 -2.776 598 2HB LYS 81 HB1 LYS 81 16.608 3.358 -1.699 599 1HG LYS 81 HG2 LYS 81 15.293 1.671 -0.718 600 2HG LYS 81 HG1 LYS 81 15.831 0.479 -1.888 601 1HD LYS 81 HD2 LYS 81 18.195 0.995 -0.991 602 2HD LYS 81 HD1 LYS 81 17.302 1.690 0.380 603 1HE LYS 81 HE2 LYS 81 16.148 -0.400 0.748 604 2HE LYS 81 HE1 LYS 81 16.913 -1.089 -0.684 605 1HZ LYS 81 HZ1 LYS 81 18.369 -0.236 1.780 606 2HZ LYS 81 HZ2 LYS 81 19.050 -0.942 0.408 607 3HZ LYS 81 HZ3 LYS 81 18.004 -1.829 1.369 608 H LEU 82 H LEU 82 15.784 0.527 -4.530 609 HA LEU 82 HA LEU 82 13.291 -0.554 -3.505 610 1HB LEU 82 HB2 LEU 82 12.819 -1.696 -5.626 611 2HB LEU 82 HB1 LEU 82 12.753 0.041 -5.784 612 HG LEU 82 HG LEU 82 15.198 -1.487 -6.554 613 1HD1 LEU 82 HD11 LEU 82 12.764 -0.864 -8.267 614 2HD1 LEU 82 HD12 LEU 82 13.289 -2.477 -7.781 615 3HD1 LEU 82 HD13 LEU 82 14.284 -1.516 -8.877 616 1HD2 LEU 82 HD21 LEU 82 15.564 0.412 -8.051 617 2HD2 LEU 82 HD22 LEU 82 15.348 0.967 -6.388 618 3HD2 LEU 82 HD23 LEU 82 14.030 1.116 -7.546 619 H THR 83 H THR 83 13.346 -2.545 -2.821 620 HA THR 83 HA THR 83 15.651 -4.182 -3.376 621 HB THR 83 HB THR 83 16.276 -3.084 -1.353 622 HG1 THR 83 HG1 THR 83 16.338 -5.500 -1.477 623 1HG2 THR 83 HG21 THR 83 14.092 -2.213 -0.655 624 2HG2 THR 83 HG22 THR 83 14.909 -3.005 0.693 625 3HG2 THR 83 HG23 THR 83 13.601 -3.833 -0.159 626 H MET 84 H MET 84 14.829 -6.289 -3.820 627 HA MET 84 HA MET 84 11.954 -6.520 -3.194 628 1HB MET 84 HB2 MET 84 12.671 -6.830 -5.543 629 2HB MET 84 HB1 MET 84 13.715 -8.133 -4.993 630 1HG MET 84 HG2 MET 84 11.790 -9.453 -4.358 631 2HG MET 84 HG1 MET 84 10.708 -8.146 -4.843 632 1HE MET 84 HE1 MET 84 10.537 -11.168 -5.968 633 2HE MET 84 HE2 MET 84 10.205 -10.854 -7.668 634 3HE MET 84 HE3 MET 84 9.400 -9.897 -6.417 635 H VAL 85 H VAL 85 11.807 -7.271 -1.211 636 HA VAL 85 HA VAL 85 12.622 -9.988 -0.821 637 HB VAL 85 HB VAL 85 13.252 -9.244 1.665 638 1HG1 VAL 85 HG11 VAL 85 14.741 -10.454 0.154 639 2HG1 VAL 85 HG12 VAL 85 15.625 -9.181 0.999 640 3HG1 VAL 85 HG13 VAL 85 15.115 -8.950 -0.680 641 1HG2 VAL 85 HG21 VAL 85 12.805 -6.833 1.286 642 2HG2 VAL 85 HG22 VAL 85 14.056 -6.797 0.047 643 3HG2 VAL 85 HG23 VAL 85 14.491 -7.114 1.722 644 H LYS 86 H LYS 86 10.525 -10.792 -0.548 645 HA LYS 86 HA LYS 86 9.216 -9.620 1.749 646 1HB LYS 86 HB2 LYS 86 8.235 -8.760 -0.518 647 2HB LYS 86 HB1 LYS 86 7.536 -10.380 -0.611 648 1HG LYS 86 HG2 LYS 86 5.926 -8.864 0.202 649 2HG LYS 86 HG1 LYS 86 6.375 -9.975 1.489 650 1HD LYS 86 HD2 LYS 86 7.607 -8.385 2.668 651 2HD LYS 86 HD1 LYS 86 7.874 -7.396 1.242 652 1HE LYS 86 HE2 LYS 86 5.710 -6.414 1.412 653 2HE LYS 86 HE1 LYS 86 5.142 -7.629 2.557 654 1HZ LYS 86 HZ1 LYS 86 7.262 -5.603 2.970 655 2HZ LYS 86 HZ2 LYS 86 6.804 -6.760 4.112 656 3HZ LYS 86 HZ3 LYS 86 5.696 -5.585 3.652 657 H ARG 87 H ARG 87 8.851 -11.173 3.134 658 HA ARG 87 HA ARG 87 8.836 -13.879 2.041 659 1HB ARG 87 HB2 ARG 87 10.033 -12.972 4.675 660 2HB ARG 87 HB1 ARG 87 9.987 -14.624 4.091 661 1HG ARG 87 HG2 ARG 87 12.183 -13.935 3.621 662 2HG ARG 87 HG1 ARG 87 11.339 -13.752 2.088 663 1HD ARG 87 HD2 ARG 87 12.709 -11.798 2.418 664 2HD ARG 87 HD1 ARG 87 11.022 -11.352 2.574 665 HE ARG 87 HE ARG 87 12.187 -11.997 5.088 666 1HH1 ARG 87 HH11 ARG 87 11.633 -9.282 2.819 667 2HH1 ARG 87 HH12 ARG 87 12.095 -8.102 3.927 668 1HH2 ARG 87 HH21 ARG 87 12.759 -10.341 6.594 669 2HH2 ARG 87 HH22 ARG 87 12.765 -8.699 6.159 670 H ASN 88 H ASN 88 7.490 -15.331 2.958 671 HA ASN 88 HA ASN 88 5.701 -16.212 4.013 672 1HB ASN 88 HB2 ASN 88 6.013 -13.886 5.931 673 2HB ASN 88 HB1 ASN 88 4.807 -15.142 6.131 674 1HD2 ASN 88 HD21 ASN 88 5.593 -15.801 8.034 675 2HD2 ASN 88 HD22 ASN 88 7.099 -16.617 8.265 676 H ASN 89 H ASN 89 5.542 -14.154 1.920 677 HA ASN 89 HA ASN 89 2.696 -13.632 2.176 678 1HB ASN 89 HB2 ASN 89 4.699 -11.453 1.538 679 2HB ASN 89 HB1 ASN 89 2.973 -11.299 1.268 680 1HD2 ASN 89 HD21 ASN 89 5.538 -11.217 3.554 681 2HD2 ASN 89 HD22 ASN 89 4.580 -10.738 4.904 682 H GLN 90 H GLN 90 4.964 -12.235 -0.089 683 HA GLN 90 HA GLN 90 4.877 -14.202 -2.039 684 1HB GLN 90 HB2 GLN 90 3.853 -12.897 -3.807 685 2HB GLN 90 HB1 GLN 90 2.662 -13.120 -2.517 686 1HG GLN 90 HG2 GLN 90 4.291 -10.655 -2.674 687 2HG GLN 90 HG1 GLN 90 2.979 -10.858 -3.825 688 1HE2 GLN 90 HE21 GLN 90 3.826 -10.196 -0.567 689 2HE2 GLN 90 HE22 GLN 90 2.238 -9.859 0.029 690 H THR 91 H THR 91 6.276 -13.260 -3.848 691 HA THR 91 HA THR 91 8.145 -11.499 -2.514 692 HB THR 91 HB THR 91 9.599 -12.154 -4.571 693 HG1 THR 91 HG1 THR 91 8.098 -13.181 -5.817 694 1HG2 THR 91 HG21 THR 91 10.365 -14.187 -3.376 695 2HG2 THR 91 HG22 THR 91 8.887 -14.164 -2.415 696 3HG2 THR 91 HG23 THR 91 10.059 -12.869 -2.244 697 H ILE 92 H ILE 92 7.985 -9.523 -2.800 698 HA ILE 92 HA ILE 92 7.307 -8.338 -5.298 699 HB ILE 92 HB ILE 92 5.831 -6.696 -4.000 700 1HG1 ILE 92 HG12 ILE 92 4.617 -7.947 -2.101 701 2HG1 ILE 92 HG11 ILE 92 6.105 -8.873 -2.037 702 1HG2 ILE 92 HG21 ILE 92 4.905 -9.526 -4.418 703 2HG2 ILE 92 HG22 ILE 92 4.848 -8.206 -5.590 704 3HG2 ILE 92 HG23 ILE 92 3.841 -8.154 -4.138 705 1HD1 ILE 92 HD11 ILE 92 7.429 -6.920 -1.636 706 2HD1 ILE 92 HD12 ILE 92 6.130 -6.979 -0.452 707 3HD1 ILE 92 HD13 ILE 92 6.033 -5.879 -1.821 708 H PHE 93 H PHE 93 7.794 -5.943 -5.254 709 HA PHE 93 HA PHE 93 10.521 -5.818 -4.227 710 1HB PHE 93 HB2 PHE 93 8.958 -3.950 -5.998 711 2HB PHE 93 HB1 PHE 93 10.662 -3.808 -5.642 712 HD1 PHE 93 HD1 PHE 93 12.236 -5.105 -6.781 713 HD2 PHE 93 HD2 PHE 93 8.086 -5.746 -7.413 714 HE1 PHE 93 HE1 PHE 93 12.753 -6.444 -8.805 715 HE2 PHE 93 HE2 PHE 93 8.576 -7.086 -9.411 716 HZ PHE 93 HZ PHE 93 10.915 -7.435 -10.112 717 H GLU 94 H GLU 94 10.981 -4.645 -2.442 718 HA GLU 94 HA GLU 94 8.927 -2.955 -1.335 719 1HB GLU 94 HB2 GLU 94 11.524 -3.861 -0.046 720 2HB GLU 94 HB1 GLU 94 10.140 -3.107 0.721 721 1HG GLU 94 HG2 GLU 94 8.910 -5.221 -0.206 722 2HG GLU 94 HG1 GLU 94 10.522 -5.926 -0.044 723 H GLN 95 H GLN 95 9.369 -0.849 -0.897 724 HA GLN 95 HA GLN 95 11.781 0.243 -2.197 725 1HB GLN 95 HB2 GLN 95 9.457 0.457 -3.376 726 2HB GLN 95 HB1 GLN 95 9.121 1.657 -2.131 727 1HG GLN 95 HG2 GLN 95 10.942 2.996 -2.836 728 2HG GLN 95 HG1 GLN 95 11.507 1.737 -3.926 729 1HE2 GLN 95 HE21 GLN 95 9.217 4.307 -3.395 730 2HE2 GLN 95 HE22 GLN 95 8.688 4.371 -5.038 731 H THR 96 H THR 96 13.077 1.108 -0.691 732 HA THR 96 HA THR 96 11.898 2.225 1.767 733 HB THR 96 HB THR 96 14.740 1.881 1.918 734 HG1 THR 96 HG1 THR 96 13.840 -0.660 1.778 735 1HG2 THR 96 HG21 THR 96 14.131 0.414 3.820 736 2HG2 THR 96 HG22 THR 96 12.451 0.427 3.279 737 3HG2 THR 96 HG23 THR 96 13.185 1.899 3.834 738 H ILE 97 H ILE 97 12.986 4.140 2.633 739 HA ILE 97 HA ILE 97 14.070 5.870 0.478 740 HB ILE 97 HB ILE 97 13.080 6.799 3.196 741 1HG1 ILE 97 HG12 ILE 97 11.392 6.895 0.752 742 2HG1 ILE 97 HG11 ILE 97 11.373 5.408 1.649 743 1HG2 ILE 97 HG21 ILE 97 14.455 8.273 1.656 744 2HG2 ILE 97 HG22 ILE 97 12.885 8.893 2.081 745 3HG2 ILE 97 HG23 ILE 97 13.139 8.167 0.485 746 1HD1 ILE 97 HD11 ILE 97 10.747 6.908 3.648 747 2HD1 ILE 97 HD12 ILE 97 9.579 6.493 2.430 748 3HD1 ILE 97 HD13 ILE 97 10.311 8.093 2.387 749 H ASN 98 H ASN 98 15.831 7.108 0.978 750 HA ASN 98 HA ASN 98 17.640 5.836 2.876 751 1HB ASN 98 HB2 ASN 98 19.365 7.207 1.595 752 2HB ASN 98 HB1 ASN 98 18.582 5.907 0.694 753 1HD2 ASN 98 HD21 ASN 98 17.224 9.145 1.404 754 2HD2 ASN 98 HD22 ASN 98 17.136 9.622 -0.218 755 H ASP 99 H ASP 99 15.466 8.005 3.357 756 HA ASP 99 HA ASP 99 17.115 9.731 5.040 757 1HB ASP 99 HB2 ASP 99 17.068 10.594 2.639 758 2HB ASP 99 HB1 ASP 99 15.406 11.010 2.957 759 H LEU 100 H LEU 100 13.927 9.556 3.510 760 HA LEU 100 HA LEU 100 12.482 10.623 5.813 761 1HB LEU 100 HB2 LEU 100 11.283 9.355 3.336 762 2HB LEU 100 HB1 LEU 100 10.623 10.538 4.426 763 HG LEU 100 HG LEU 100 13.016 11.428 2.996 764 1HD1 LEU 100 HD11 LEU 100 11.999 10.240 1.176 765 2HD1 LEU 100 HD12 LEU 100 11.527 11.917 1.010 766 3HD1 LEU 100 HD13 LEU 100 10.397 10.740 1.696 767 1HD2 LEU 100 HD21 LEU 100 10.279 12.544 3.343 768 2HD2 LEU 100 HD22 LEU 100 11.706 13.394 2.800 769 3HD2 LEU 100 HD23 LEU 100 11.601 12.823 4.487 770 H THR 101 H THR 101 13.926 8.012 5.820 771 HA THR 101 HA THR 101 12.387 5.750 5.701 772 HB THR 101 HB THR 101 14.633 6.352 7.625 773 HG1 THR 101 HG1 THR 101 14.777 5.409 4.955 774 1HG2 THR 101 HG21 THR 101 13.832 3.812 6.186 775 2HG2 THR 101 HG22 THR 101 13.574 4.128 7.906 776 3HG2 THR 101 HG23 THR 101 15.212 3.992 7.267 777 H PHE 102 H PHE 102 12.620 8.135 8.309 778 HA PHE 102 HA PHE 102 10.433 6.769 9.673 779 1HB PHE 102 HB2 PHE 102 12.956 7.756 10.968 780 2HB PHE 102 HB1 PHE 102 11.515 7.299 11.876 781 HD1 PHE 102 HD1 PHE 102 10.715 4.897 11.673 782 HD2 PHE 102 HD2 PHE 102 14.553 6.153 10.342 783 HE1 PHE 102 HE1 PHE 102 11.491 2.574 11.734 784 HE2 PHE 102 HE2 PHE 102 15.336 3.823 10.397 785 HZ PHE 102 HZ PHE 102 13.808 2.029 11.091 Start of MODEL 5 1 HA MET 1 HA MET 1 -14.744 16.464 -2.517 2 1HB MET 1 HB2 MET 1 -12.914 17.909 -1.856 3 2HB MET 1 HB1 MET 1 -13.310 19.054 -3.123 4 1HG MET 1 HG2 MET 1 -14.011 19.841 -0.906 5 2HG MET 1 HG1 MET 1 -15.371 19.648 -2.006 6 1HE MET 1 HE1 MET 1 -13.432 16.816 0.000 7 2HE MET 1 HE2 MET 1 -14.393 16.761 1.478 8 3HE MET 1 HE3 MET 1 -13.444 18.199 1.095 9 H ALA 2 H ALA 2 -14.707 19.040 -5.033 10 HA ALA 2 HA ALA 2 -17.509 19.475 -4.584 11 1HB ALA 2 HB1 ALA 2 -16.020 21.372 -4.961 12 2HB ALA 2 HB2 ALA 2 -17.253 21.278 -6.222 13 3HB ALA 2 HB3 ALA 2 -15.608 20.737 -6.551 14 H HIS 3 H HIS 3 -19.077 18.622 -5.632 15 HA HIS 3 HA HIS 3 -20.369 17.600 -7.092 16 1HB HIS 3 HB2 HIS 3 -19.600 19.003 -8.919 17 2HB HIS 3 HB1 HIS 3 -18.141 18.041 -9.110 18 HD1 HIS 3 HD1 HIS 3 -21.919 17.705 -9.602 19 HD2 HIS 3 HD2 HIS 3 -18.365 15.954 -10.852 20 HE1 HIS 3 HE1 HIS 3 -22.546 16.042 -11.373 21 H HIS 4 H HIS 4 -20.934 15.625 -7.024 22 HA HIS 4 HA HIS 4 -18.877 13.564 -7.279 23 1HB HIS 4 HB2 HIS 4 -19.507 13.957 -4.875 24 2HB HIS 4 HB1 HIS 4 -21.163 13.548 -5.283 25 HD1 HIS 4 HD1 HIS 4 -17.871 12.026 -4.447 26 HD2 HIS 4 HD2 HIS 4 -21.579 10.792 -5.862 27 HE1 HIS 4 HE1 HIS 4 -17.965 9.542 -4.085 28 H HIS 5 H HIS 5 -22.367 13.877 -6.840 29 HA HIS 5 HA HIS 5 -24.193 13.127 -7.827 30 1HB HIS 5 HB2 HIS 5 -23.353 14.456 -9.775 31 2HB HIS 5 HB1 HIS 5 -22.578 13.002 -10.395 32 HD1 HIS 5 HD1 HIS 5 -23.973 11.731 -12.055 33 HD2 HIS 5 HD2 HIS 5 -26.291 14.075 -9.529 34 HE1 HIS 5 HE1 HIS 5 -26.345 11.491 -12.859 35 H HIS 6 H HIS 6 -21.626 11.264 -9.310 36 HA HIS 6 HA HIS 6 -22.263 8.917 -7.914 37 1HB HIS 6 HB2 HIS 6 -24.082 8.667 -9.556 38 2HB HIS 6 HB1 HIS 6 -22.967 8.971 -10.880 39 HD1 HIS 6 HD1 HIS 6 -22.894 6.775 -12.107 40 HD2 HIS 6 HD2 HIS 6 -22.574 6.276 -7.995 41 HE1 HIS 6 HE1 HIS 6 -22.386 4.331 -11.732 42 H HIS 7 H HIS 7 -20.137 9.097 -7.366 43 HA HIS 7 HA HIS 7 -18.197 8.986 -9.521 44 1HB HIS 7 HB2 HIS 7 -17.681 10.513 -7.654 45 2HB HIS 7 HB1 HIS 7 -17.824 9.190 -6.515 46 HD1 HIS 7 HD1 HIS 7 -15.323 11.024 -8.457 47 HD2 HIS 7 HD2 HIS 7 -15.682 7.203 -6.858 48 HE1 HIS 7 HE1 HIS 7 -13.003 10.077 -8.377 49 H HIS 8 H HIS 8 -18.279 7.043 -10.359 50 HA HIS 8 HA HIS 8 -18.310 4.730 -8.616 51 1HB HIS 8 HB2 HIS 8 -19.655 5.010 -10.842 52 2HB HIS 8 HB1 HIS 8 -18.108 4.688 -11.621 53 HD1 HIS 8 HD1 HIS 8 -20.816 3.037 -9.646 54 HD2 HIS 8 HD2 HIS 8 -17.203 2.061 -11.440 55 HE1 HIS 8 HE1 HIS 8 -20.691 0.532 -9.621 56 H ASN 9 H ASN 9 -16.386 3.973 -7.951 57 HA ASN 9 HA ASN 9 -13.995 5.008 -9.280 58 1HB ASN 9 HB2 ASN 9 -12.786 4.570 -7.266 59 2HB ASN 9 HB1 ASN 9 -14.308 5.298 -6.786 60 1HD2 ASN 9 HD21 ASN 9 -12.540 3.763 -5.212 61 2HD2 ASN 9 HD22 ASN 9 -13.387 2.393 -4.604 62 H GLN 10 H GLN 10 -15.841 2.519 -9.758 63 HA GLN 10 HA GLN 10 -15.741 0.411 -10.469 64 1HB GLN 10 HB2 GLN 10 -13.987 -0.169 -12.164 65 2HB GLN 10 HB1 GLN 10 -14.787 1.354 -12.473 66 1HG GLN 10 HG2 GLN 10 -12.839 2.559 -11.661 67 2HG GLN 10 HG1 GLN 10 -12.057 1.036 -11.250 68 1HE2 GLN 10 HE21 GLN 10 -13.081 3.116 -13.823 69 2HE2 GLN 10 HE22 GLN 10 -12.167 2.379 -15.071 70 H GLN 11 H GLN 11 -14.864 0.782 -7.912 71 HA GLN 11 HA GLN 11 -14.127 -0.369 -6.155 72 1HB GLN 11 HB2 GLN 11 -13.715 -2.620 -8.137 73 2HB GLN 11 HB1 GLN 11 -13.583 -2.797 -6.393 74 1HG GLN 11 HG2 GLN 11 -16.057 -2.034 -7.935 75 2HG GLN 11 HG1 GLN 11 -15.745 -3.579 -7.149 76 1HE2 GLN 11 HE21 GLN 11 -16.606 -0.240 -6.677 77 2HE2 GLN 11 HE22 GLN 11 -17.062 -0.382 -5.031 78 H ASN 12 H ASN 12 -12.359 1.236 -7.814 79 HA ASN 12 HA ASN 12 -9.855 0.330 -6.603 80 1HB ASN 12 HB2 ASN 12 -9.654 0.081 -9.046 81 2HB ASN 12 HB1 ASN 12 -10.208 1.736 -9.270 82 1HD2 ASN 12 HD21 ASN 12 -8.358 2.318 -10.347 83 2HD2 ASN 12 HD22 ASN 12 -6.830 2.516 -9.576 84 H LYS 13 H LYS 13 -9.779 1.601 -4.903 85 HA LYS 13 HA LYS 13 -10.767 4.304 -4.872 86 1HB LYS 13 HB2 LYS 13 -10.811 2.841 -2.865 87 2HB LYS 13 HB1 LYS 13 -9.059 2.796 -2.886 88 1HG LYS 13 HG2 LYS 13 -9.041 5.256 -2.560 89 2HG LYS 13 HG1 LYS 13 -10.796 5.197 -2.389 90 1HD LYS 13 HD2 LYS 13 -10.535 3.646 -0.487 91 2HD LYS 13 HD1 LYS 13 -8.783 3.777 -0.655 92 1HE LYS 13 HE2 LYS 13 -9.509 5.256 1.107 93 2HE LYS 13 HE1 LYS 13 -8.977 6.218 -0.269 94 1HZ LYS 13 HZ1 LYS 13 -11.018 7.106 0.593 95 2HZ LYS 13 HZ2 LYS 13 -11.763 5.597 0.484 96 3HZ LYS 13 HZ3 LYS 13 -11.332 6.419 -0.919 97 H LYS 14 H LYS 14 -7.659 2.680 -4.630 98 HA LYS 14 HA LYS 14 -5.606 3.196 -5.051 99 1HB LYS 14 HB2 LYS 14 -6.375 3.798 -7.331 100 2HB LYS 14 HB1 LYS 14 -6.691 5.437 -6.805 101 1HG LYS 14 HG2 LYS 14 -3.928 4.245 -6.688 102 2HG LYS 14 HG1 LYS 14 -4.549 4.987 -8.156 103 1HD LYS 14 HD2 LYS 14 -4.847 7.084 -7.021 104 2HD LYS 14 HD1 LYS 14 -4.413 6.360 -5.479 105 1HE LYS 14 HE2 LYS 14 -2.160 5.918 -6.336 106 2HE LYS 14 HE1 LYS 14 -2.603 6.662 -7.865 107 1HZ LYS 14 HZ1 LYS 14 -2.679 8.088 -5.258 108 2HZ LYS 14 HZ2 LYS 14 -2.954 8.772 -6.767 109 3HZ LYS 14 HZ3 LYS 14 -1.423 8.218 -6.361 110 H VAL 15 H VAL 15 -4.198 3.900 -3.862 111 HA VAL 15 HA VAL 15 -4.264 5.180 -1.643 112 HB VAL 15 HB VAL 15 -2.128 4.469 -3.378 113 1HG1 VAL 15 HG11 VAL 15 -1.584 6.835 -3.675 114 2HG1 VAL 15 HG12 VAL 15 -0.360 6.037 -2.679 115 3HG1 VAL 15 HG13 VAL 15 -1.587 7.060 -1.928 116 1HG2 VAL 15 HG21 VAL 15 -2.247 5.114 -0.473 117 2HG2 VAL 15 HG22 VAL 15 -0.965 4.168 -1.242 118 3HG2 VAL 15 HG23 VAL 15 -2.632 3.551 -1.189 119 H GLU 16 H GLU 16 -4.971 6.932 -0.854 120 HA GLU 16 HA GLU 16 -4.310 9.408 -2.187 121 1HB GLU 16 HB2 GLU 16 -6.492 10.343 -1.414 122 2HB GLU 16 HB1 GLU 16 -6.623 9.079 -2.626 123 1HG GLU 16 HG2 GLU 16 -7.136 7.472 -0.879 124 2HG GLU 16 HG1 GLU 16 -7.031 8.747 0.325 125 H GLY 17 H GLY 17 -4.847 7.784 0.926 126 1HA GLY 17 HA2 GLY 17 -2.946 9.667 1.936 127 2HA GLY 17 HA1 GLY 17 -4.523 9.790 2.731 128 H GLY 18 H GLY 18 -5.023 6.994 2.864 129 1HA GLY 18 HA2 GLY 18 -3.125 6.327 4.983 130 2HA GLY 18 HA1 GLY 18 -4.679 5.557 4.656 131 H TYR 19 H TYR 19 -3.858 3.486 4.788 132 HA TYR 19 HA TYR 19 -1.873 2.753 2.737 133 1HB TYR 19 HB2 TYR 19 -2.710 1.170 5.142 134 2HB TYR 19 HB1 TYR 19 -1.275 0.932 4.141 135 HD1 TYR 19 HD1 TYR 19 -2.280 1.952 7.236 136 HD2 TYR 19 HD2 TYR 19 0.182 3.285 4.038 137 HE1 TYR 19 HE1 TYR 19 -1.114 3.354 8.775 138 HE2 TYR 19 HE2 TYR 19 1.419 4.732 5.590 139 HH TYR 19 HH TYR 19 1.027 5.822 7.683 140 H GLU 20 H GLU 20 -2.678 1.875 1.080 141 HA GLU 20 HA GLU 20 -5.234 0.480 1.291 142 1HB GLU 20 HB2 GLU 20 -5.055 2.387 -0.336 143 2HB GLU 20 HB1 GLU 20 -3.771 1.501 -1.133 144 1HG GLU 20 HG2 GLU 20 -5.416 -0.377 -1.483 145 2HG GLU 20 HG1 GLU 20 -6.672 0.747 -0.958 146 H CYS 21 H CYS 21 -5.050 -1.557 1.194 147 HA CYS 21 HA CYS 21 -2.629 -3.016 0.831 148 1HB CYS 21 HB2 CYS 21 -5.428 -4.067 0.522 149 2HB CYS 21 HB1 CYS 21 -3.981 -5.021 0.828 150 H LYS 22 H LYS 22 -1.986 -4.283 -0.905 151 HA LYS 22 HA LYS 22 -2.675 -3.497 -3.509 152 1HB LYS 22 HB2 LYS 22 -0.475 -4.413 -2.952 153 2HB LYS 22 HB1 LYS 22 -1.188 -5.944 -2.484 154 1HG LYS 22 HG2 LYS 22 -1.409 -4.897 -5.285 155 2HG LYS 22 HG1 LYS 22 0.031 -5.769 -4.754 156 1HD LYS 22 HD2 LYS 22 -1.305 -7.666 -4.210 157 2HD LYS 22 HD1 LYS 22 -2.791 -6.804 -4.597 158 1HE LYS 22 HE2 LYS 22 -1.966 -6.556 -6.944 159 2HE LYS 22 HE1 LYS 22 -0.591 -7.581 -6.523 160 1HZ LYS 22 HZ1 LYS 22 -2.372 -8.849 -7.583 161 2HZ LYS 22 HZ2 LYS 22 -3.442 -8.384 -6.380 162 3HZ LYS 22 HZ3 LYS 22 -2.153 -9.360 -5.994 163 H TYR 23 H TYR 23 -3.919 -5.907 -1.335 164 HA TYR 23 HA TYR 23 -5.307 -7.217 -3.510 165 1HB TYR 23 HB2 TYR 23 -5.743 -8.633 -1.088 166 2HB TYR 23 HB1 TYR 23 -4.814 -9.128 -2.491 167 HD1 TYR 23 HD1 TYR 23 -2.358 -8.505 -2.579 168 HD2 TYR 23 HD2 TYR 23 -4.686 -8.117 0.950 169 HE1 TYR 23 HE1 TYR 23 -0.309 -8.460 -1.249 170 HE2 TYR 23 HE2 TYR 23 -2.647 -8.068 2.301 171 HH TYR 23 HH TYR 23 -0.284 -8.859 2.088 172 H CYS 24 H CYS 24 -5.949 -4.830 -1.406 173 HA CYS 24 HA CYS 24 -8.719 -5.139 -1.954 174 1HB CYS 24 HB2 CYS 24 -9.554 -4.971 0.321 175 2HB CYS 24 HB1 CYS 24 -8.368 -6.266 0.260 176 H THR 25 H THR 25 -9.575 -3.187 -2.357 177 HA THR 25 HA THR 25 -7.686 -1.034 -2.435 178 HB THR 25 HB THR 25 -9.310 -1.702 -4.317 179 HG1 THR 25 HG1 THR 25 -8.131 0.398 -3.875 180 1HG2 THR 25 HG21 THR 25 -11.535 -0.643 -4.254 181 2HG2 THR 25 HG22 THR 25 -11.235 -0.118 -2.597 182 3HG2 THR 25 HG23 THR 25 -11.364 -1.837 -2.965 183 H PHE 26 H PHE 26 -9.549 -2.172 -0.112 184 HA PHE 26 HA PHE 26 -10.660 0.236 0.935 185 1HB PHE 26 HB2 PHE 26 -10.265 -2.486 2.212 186 2HB PHE 26 HB1 PHE 26 -11.174 -1.159 2.932 187 HD1 PHE 26 HD1 PHE 26 -13.245 -0.343 1.815 188 HD2 PHE 26 HD2 PHE 26 -11.244 -3.874 0.557 189 HE1 PHE 26 HE1 PHE 26 -15.258 -1.045 0.595 190 HE2 PHE 26 HE2 PHE 26 -13.258 -4.583 -0.664 191 HZ PHE 26 HZ PHE 26 -15.258 -3.172 -0.653 192 H GLN 27 H GLN 27 -9.568 1.696 1.847 193 HA GLN 27 HA GLN 27 -6.832 1.142 2.695 194 1HB GLN 27 HB2 GLN 27 -6.708 2.538 0.857 195 2HB GLN 27 HB1 GLN 27 -8.135 3.459 1.328 196 1HG GLN 27 HG2 GLN 27 -6.879 4.585 3.027 197 2HG GLN 27 HG1 GLN 27 -5.529 3.477 2.757 198 1HE2 GLN 27 HE21 GLN 27 -4.189 3.890 1.312 199 2HE2 GLN 27 HE22 GLN 27 -4.072 5.253 0.269 200 H THR 28 H THR 28 -6.075 1.918 4.575 201 HA THR 28 HA THR 28 -7.771 3.625 6.140 202 HB THR 28 HB THR 28 -8.397 1.351 6.833 203 HG1 THR 28 HG1 THR 28 -8.042 1.580 9.008 204 1HG2 THR 28 HG21 THR 28 -6.791 -0.140 7.959 205 2HG2 THR 28 HG22 THR 28 -5.503 1.000 7.629 206 3HG2 THR 28 HG23 THR 28 -6.307 0.177 6.294 207 HA PRO 29 HA PRO 29 -3.669 5.383 6.688 208 1HB PRO 29 HB2 PRO 29 -4.476 7.438 8.306 209 2HB PRO 29 HB1 PRO 29 -4.616 7.445 6.542 210 1HG PRO 29 HG2 PRO 29 -6.690 6.827 8.597 211 2HG PRO 29 HG1 PRO 29 -6.840 7.773 7.107 212 1HD PRO 29 HD2 PRO 29 -7.711 5.221 7.278 213 2HD PRO 29 HD1 PRO 29 -7.003 5.864 5.774 214 H ASP 30 H ASP 30 -5.518 3.827 8.945 215 HA ASP 30 HA ASP 30 -3.629 4.277 11.127 216 1HB ASP 30 HB2 ASP 30 -6.203 2.704 10.985 217 2HB ASP 30 HB1 ASP 30 -5.159 2.739 12.400 218 H LEU 31 H LEU 31 -1.858 3.086 11.013 219 HA LEU 31 HA LEU 31 -1.401 0.890 9.428 220 1HB LEU 31 HB2 LEU 31 0.148 2.465 10.854 221 2HB LEU 31 HB1 LEU 31 -0.006 1.211 12.063 222 HG LEU 31 HG LEU 31 2.063 0.866 10.897 223 1HD1 LEU 31 HD11 LEU 31 0.897 -1.199 11.400 224 2HD1 LEU 31 HD12 LEU 31 1.789 -1.342 9.870 225 3HD1 LEU 31 HD13 LEU 31 0.041 -1.057 9.865 226 1HD2 LEU 31 HD21 LEU 31 0.455 0.906 8.377 227 2HD2 LEU 31 HD22 LEU 31 2.198 0.596 8.481 228 3HD2 LEU 31 HD23 LEU 31 1.529 2.175 8.942 229 H ASN 32 H ASN 32 -2.413 1.060 12.854 230 HA ASN 32 HA ASN 32 -2.296 -1.600 13.563 231 1HB ASN 32 HB2 ASN 32 -2.872 0.547 14.944 232 2HB ASN 32 HB1 ASN 32 -4.509 0.201 14.369 233 1HD2 ASN 32 HD21 ASN 32 -4.121 -2.758 14.550 234 2HD2 ASN 32 HD22 ASN 32 -4.185 -3.057 16.223 235 H MET 33 H MET 33 -4.904 0.268 12.058 236 HA MET 33 HA MET 33 -6.711 -1.954 11.995 237 1HB MET 33 HB2 MET 33 -6.838 0.621 10.433 238 2HB MET 33 HB1 MET 33 -8.147 -0.533 10.627 239 1HG MET 33 HG2 MET 33 -6.820 1.032 12.769 240 2HG MET 33 HG1 MET 33 -8.411 1.397 12.085 241 1HE MET 33 HE1 MET 33 -9.593 -1.647 11.800 242 2HE MET 33 HE2 MET 33 -10.532 -0.270 12.370 243 3HE MET 33 HE3 MET 33 -10.488 -1.757 13.315 244 H PHE 34 H PHE 34 -4.404 -0.520 9.869 245 HA PHE 34 HA PHE 34 -5.097 -1.857 7.507 246 1HB PHE 34 HB2 PHE 34 -3.582 0.018 7.397 247 2HB PHE 34 HB1 PHE 34 -2.454 -0.745 8.482 248 HD1 PHE 34 HD1 PHE 34 -0.683 -1.956 7.659 249 HD2 PHE 34 HD2 PHE 34 -4.002 -1.182 5.100 250 HE1 PHE 34 HE1 PHE 34 0.563 -2.897 5.744 251 HE2 PHE 34 HE2 PHE 34 -2.766 -2.116 3.207 252 HZ PHE 34 HZ PHE 34 -0.485 -2.978 3.520 253 H THR 35 H THR 35 -2.627 -2.683 9.894 254 HA THR 35 HA THR 35 -2.084 -5.181 8.651 255 HB THR 35 HB THR 35 -0.287 -4.258 9.949 256 HG1 THR 35 HG1 THR 35 -0.365 -6.501 10.019 257 1HG2 THR 35 HG21 THR 35 -2.117 -4.404 12.340 258 2HG2 THR 35 HG22 THR 35 -1.546 -2.946 11.520 259 3HG2 THR 35 HG23 THR 35 -0.401 -3.969 12.395 260 H PHE 36 H PHE 36 -4.290 -4.174 11.101 261 HA PHE 36 HA PHE 36 -4.945 -6.724 12.070 262 1HB PHE 36 HB2 PHE 36 -5.625 -4.976 13.451 263 2HB PHE 36 HB1 PHE 36 -6.396 -4.079 12.156 264 HD1 PHE 36 HD1 PHE 36 -6.646 -7.509 13.606 265 HD2 PHE 36 HD2 PHE 36 -8.681 -4.006 12.350 266 HE1 PHE 36 HE1 PHE 36 -8.798 -8.538 14.247 267 HE2 PHE 36 HE2 PHE 36 -10.838 -5.016 12.978 268 HZ PHE 36 HZ PHE 36 -10.896 -7.290 13.925 269 H HIS 37 H HIS 37 -6.588 -4.700 9.636 270 HA HIS 37 HA HIS 37 -8.439 -6.754 9.103 271 1HB HIS 37 HB2 HIS 37 -9.439 -5.338 7.517 272 2HB HIS 37 HB1 HIS 37 -8.651 -4.223 8.628 273 HD1 HIS 37 HD1 HIS 37 -7.179 -2.492 7.556 274 HD2 HIS 37 HD2 HIS 37 -7.997 -5.682 5.053 275 HE1 HIS 37 HE1 HIS 37 -6.316 -1.813 5.263 276 H VAL 38 H VAL 38 -5.289 -6.071 7.951 277 HA VAL 38 HA VAL 38 -5.368 -7.717 5.662 278 HB VAL 38 HB VAL 38 -3.074 -6.748 7.354 279 1HG1 VAL 38 HG11 VAL 38 -1.536 -7.652 5.607 280 2HG1 VAL 38 HG12 VAL 38 -2.921 -8.397 4.803 281 3HG1 VAL 38 HG13 VAL 38 -2.440 -8.938 6.412 282 1HG2 VAL 38 HG21 VAL 38 -2.509 -5.452 5.342 283 2HG2 VAL 38 HG22 VAL 38 -4.128 -5.092 5.948 284 3HG2 VAL 38 HG23 VAL 38 -3.927 -6.123 4.534 285 H ASP 39 H ASP 39 -4.074 -8.346 8.941 286 HA ASP 39 HA ASP 39 -3.427 -11.031 8.309 287 1HB ASP 39 HB2 ASP 39 -2.444 -9.641 10.174 288 2HB ASP 39 HB1 ASP 39 -3.941 -9.907 11.060 289 H SER 40 H SER 40 -6.307 -9.490 9.236 290 HA SER 40 HA SER 40 -7.585 -11.873 10.238 291 1HB SER 40 HB2 SER 40 -8.014 -9.581 11.151 292 2HB SER 40 HB1 SER 40 -8.773 -9.166 9.623 293 HG SER 40 HG SER 40 -10.447 -9.798 10.722 294 H GLU 41 H GLU 41 -7.654 -9.906 7.295 295 HA GLU 41 HA GLU 41 -9.740 -11.692 6.226 296 1HB GLU 41 HB2 GLU 41 -8.852 -8.972 5.323 297 2HB GLU 41 HB1 GLU 41 -10.100 -9.935 4.538 298 1HG GLU 41 HG2 GLU 41 -11.496 -9.834 6.455 299 2HG GLU 41 HG1 GLU 41 -10.208 -9.117 7.418 300 H HIS 42 H HIS 42 -6.646 -10.275 5.321 301 HA HIS 42 HA HIS 42 -6.291 -12.382 3.368 302 1HB HIS 42 HB2 HIS 42 -4.966 -10.330 2.240 303 2HB HIS 42 HB1 HIS 42 -6.559 -10.811 1.682 304 HD1 HIS 42 HD1 HIS 42 -8.544 -9.134 2.547 305 HD2 HIS 42 HD2 HIS 42 -4.662 -7.818 3.298 306 HE1 HIS 42 HE1 HIS 42 -8.757 -6.730 3.131 307 HA PRO 43 HA PRO 43 -2.812 -11.787 6.481 308 1HB PRO 43 HB2 PRO 43 -2.443 -14.479 6.904 309 2HB PRO 43 HB1 PRO 43 -3.495 -13.459 7.891 310 1HG PRO 43 HG2 PRO 43 -4.194 -15.298 5.645 311 2HG PRO 43 HG1 PRO 43 -5.044 -15.024 7.176 312 1HD PRO 43 HD2 PRO 43 -5.901 -13.928 4.876 313 2HD PRO 43 HD1 PRO 43 -6.022 -13.073 6.431 314 H ASN 44 H ASN 44 -3.155 -14.196 3.959 315 HA ASN 44 HA ASN 44 -0.607 -13.424 2.847 316 1HB ASN 44 HB2 ASN 44 -0.276 -15.350 4.553 317 2HB ASN 44 HB1 ASN 44 -1.151 -16.344 3.391 318 1HD2 ASN 44 HD21 ASN 44 1.570 -16.514 4.360 319 2HD2 ASN 44 HD22 ASN 44 2.588 -16.413 2.974 320 H VAL 45 H VAL 45 -0.710 -13.661 0.638 321 HA VAL 45 HA VAL 45 -3.152 -14.816 -0.476 322 HB VAL 45 HB VAL 45 -3.236 -12.643 -1.945 323 1HG1 VAL 45 HG11 VAL 45 -4.688 -11.577 -0.311 324 2HG1 VAL 45 HG12 VAL 45 -4.024 -12.619 0.958 325 3HG1 VAL 45 HG13 VAL 45 -4.962 -13.325 -0.374 326 1HG2 VAL 45 HG21 VAL 45 -1.155 -11.707 -1.144 327 2HG2 VAL 45 HG22 VAL 45 -1.797 -11.707 0.504 328 3HG2 VAL 45 HG23 VAL 45 -2.528 -10.674 -0.718 329 H VAL 46 H VAL 46 -3.031 -14.194 -3.012 330 HA VAL 46 HA VAL 46 -0.415 -15.072 -3.818 331 HB VAL 46 HB VAL 46 -1.484 -16.309 -5.738 332 1HG1 VAL 46 HG11 VAL 46 -0.792 -17.511 -3.742 333 2HG1 VAL 46 HG12 VAL 46 -2.268 -18.212 -4.407 334 3HG1 VAL 46 HG13 VAL 46 -2.348 -17.173 -2.983 335 1HG2 VAL 46 HG21 VAL 46 -3.890 -16.838 -5.608 336 2HG2 VAL 46 HG22 VAL 46 -3.616 -15.110 -5.836 337 3HG2 VAL 46 HG23 VAL 46 -4.052 -15.731 -4.243 338 H LEU 47 H LEU 47 0.525 -14.061 -5.542 339 HA LEU 47 HA LEU 47 -0.833 -12.351 -7.339 340 1HB LEU 47 HB2 LEU 47 0.316 -10.220 -6.676 341 2HB LEU 47 HB1 LEU 47 -0.954 -10.724 -5.592 342 HG LEU 47 HG LEU 47 1.937 -11.284 -4.958 343 1HD1 LEU 47 HD11 LEU 47 1.944 -9.192 -3.684 344 2HD1 LEU 47 HD12 LEU 47 0.336 -8.811 -4.294 345 3HD1 LEU 47 HD13 LEU 47 1.708 -8.868 -5.401 346 1HD2 LEU 47 HD21 LEU 47 1.095 -11.234 -2.664 347 2HD2 LEU 47 HD22 LEU 47 0.210 -12.416 -3.631 348 3HD2 LEU 47 HD23 LEU 47 -0.521 -10.855 -3.262 349 H ASN 48 H ASN 48 0.721 -11.163 -8.734 350 HA ASN 48 HA ASN 48 2.904 -12.930 -9.424 351 1HB ASN 48 HB2 ASN 48 1.495 -11.945 -11.197 352 2HB ASN 48 HB1 ASN 48 2.019 -10.336 -10.722 353 1HD2 ASN 48 HD21 ASN 48 3.013 -9.770 -12.603 354 2HD2 ASN 48 HD22 ASN 48 4.411 -10.565 -13.209 355 H SER 49 H SER 49 2.877 -9.350 -9.241 356 HA SER 49 HA SER 49 5.017 -9.302 -7.380 357 1HB SER 49 HB2 SER 49 6.557 -8.009 -8.873 358 2HB SER 49 HB1 SER 49 6.338 -9.670 -9.411 359 HG SER 49 HG SER 49 4.514 -8.473 -10.715 360 H SER 50 H SER 50 5.254 -7.153 -6.468 361 HA SER 50 HA SER 50 3.662 -5.017 -7.392 362 1HB SER 50 HB2 SER 50 3.066 -6.548 -4.864 363 2HB SER 50 HB1 SER 50 2.443 -4.945 -5.228 364 HG SER 50 HG SER 50 1.951 -6.545 -7.297 365 H TYR 51 H TYR 51 3.904 -3.295 -5.568 366 HA TYR 51 HA TYR 51 6.641 -3.443 -4.520 367 1HB TYR 51 HB2 TYR 51 5.059 -1.201 -5.696 368 2HB TYR 51 HB1 TYR 51 6.319 -0.878 -4.522 369 HD1 TYR 51 HD1 TYR 51 7.738 0.372 -5.824 370 HD2 TYR 51 HD2 TYR 51 6.474 -3.427 -7.244 371 HE1 TYR 51 HE1 TYR 51 9.397 0.502 -7.655 372 HE2 TYR 51 HE2 TYR 51 8.104 -3.303 -9.073 373 HH TYR 51 HH TYR 51 9.229 -1.436 -10.315 374 H VAL 52 H VAL 52 6.980 -2.726 -2.476 375 HA VAL 52 HA VAL 52 4.648 -1.927 -0.885 376 HB VAL 52 HB VAL 52 5.139 -4.358 -0.497 377 1HG1 VAL 52 HG11 VAL 52 7.107 -5.019 0.684 378 2HG1 VAL 52 HG12 VAL 52 7.703 -3.383 0.640 379 3HG1 VAL 52 HG13 VAL 52 7.510 -4.305 -0.878 380 1HG2 VAL 52 HG21 VAL 52 5.767 -2.646 1.877 381 2HG2 VAL 52 HG22 VAL 52 5.324 -4.354 1.925 382 3HG2 VAL 52 HG23 VAL 52 4.171 -3.160 1.333 383 H CYS 53 H CYS 53 5.053 -0.284 0.454 384 HA CYS 53 HA CYS 53 7.674 1.001 0.443 385 1HB CYS 53 HB2 CYS 53 5.678 2.387 0.507 386 2HB CYS 53 HB1 CYS 53 5.078 1.538 1.915 387 H VAL 54 H VAL 54 9.136 -0.334 1.529 388 HA VAL 54 HA VAL 54 8.599 -2.085 3.598 389 HB VAL 54 HB VAL 54 11.150 -0.819 4.047 390 1HG1 VAL 54 HG11 VAL 54 12.017 -2.955 3.551 391 2HG1 VAL 54 HG12 VAL 54 10.484 -3.393 2.809 392 3HG1 VAL 54 HG13 VAL 54 10.564 -3.137 4.577 393 1HG2 VAL 54 HG21 VAL 54 10.497 -1.481 1.201 394 2HG2 VAL 54 HG22 VAL 54 12.136 -1.434 1.827 395 3HG2 VAL 54 HG23 VAL 54 11.131 0.013 1.862 396 H GLU 55 H GLU 55 9.194 1.288 3.630 397 HA GLU 55 HA GLU 55 9.738 1.830 6.291 398 1HB GLU 55 HB2 GLU 55 8.173 3.558 4.381 399 2HB GLU 55 HB1 GLU 55 9.083 4.114 5.768 400 1HG GLU 55 HG2 GLU 55 10.321 2.777 3.367 401 2HG GLU 55 HG1 GLU 55 10.164 4.518 3.557 402 H CYS 56 H CYS 56 6.743 1.513 4.600 403 HA CYS 56 HA CYS 56 5.167 1.927 7.122 404 1HB CYS 56 HB2 CYS 56 4.168 1.596 4.325 405 2HB CYS 56 HB1 CYS 56 3.253 2.219 5.691 406 H ASN 57 H ASN 57 6.278 -0.334 5.004 407 HA ASN 57 HA ASN 57 5.845 -2.335 4.264 408 1HB ASN 57 HB2 ASN 57 6.230 -2.567 6.866 409 2HB ASN 57 HB1 ASN 57 4.650 -3.283 6.801 410 1HD2 ASN 57 HD21 ASN 57 7.662 -3.387 5.476 411 2HD2 ASN 57 HD22 ASN 57 7.694 -5.099 5.204 412 H PHE 58 H PHE 58 4.366 -1.292 2.960 413 HA PHE 58 HA PHE 58 1.781 -2.428 3.379 414 1HB PHE 58 HB2 PHE 58 0.491 -0.507 3.391 415 2HB PHE 58 HB1 PHE 58 1.991 0.234 3.919 416 HD1 PHE 58 HD1 PHE 58 -0.381 -0.140 1.192 417 HD2 PHE 58 HD2 PHE 58 3.232 1.664 2.399 418 HE1 PHE 58 HE1 PHE 58 -0.511 1.426 -0.769 419 HE2 PHE 58 HE2 PHE 58 3.115 3.221 0.435 420 HZ PHE 58 HZ PHE 58 1.255 3.076 -1.117 421 H LEU 59 H LEU 59 1.032 -3.343 1.518 422 HA LEU 59 HA LEU 59 2.636 -3.046 -0.888 423 1HB LEU 59 HB2 LEU 59 0.932 -5.165 0.264 424 2HB LEU 59 HB1 LEU 59 0.866 -5.056 -1.476 425 HG LEU 59 HG LEU 59 3.458 -5.350 0.026 426 1HD1 LEU 59 HD11 LEU 59 1.730 -7.433 -1.314 427 2HD1 LEU 59 HD12 LEU 59 1.917 -7.256 0.432 428 3HD1 LEU 59 HD13 LEU 59 3.304 -7.714 -0.559 429 1HD2 LEU 59 HD21 LEU 59 3.633 -4.431 -2.228 430 2HD2 LEU 59 HD22 LEU 59 2.635 -5.731 -2.855 431 3HD2 LEU 59 HD23 LEU 59 4.224 -6.088 -2.199 432 H THR 60 H THR 60 1.795 -2.293 -2.756 433 HA THR 60 HA THR 60 -1.026 -1.534 -2.787 434 HB THR 60 HB THR 60 -0.133 0.571 -2.466 435 HG1 THR 60 HG1 THR 60 0.415 0.977 -5.060 436 1HG2 THR 60 HG21 THR 60 1.985 1.394 -3.451 437 2HG2 THR 60 HG22 THR 60 2.205 -0.191 -4.191 438 3HG2 THR 60 HG23 THR 60 2.180 -0.027 -2.432 439 H LYS 61 H LYS 61 -1.978 -1.340 -4.880 440 HA LYS 61 HA LYS 61 -1.053 -3.506 -6.563 441 1HB LYS 61 HB2 LYS 61 -3.427 -3.197 -5.681 442 2HB LYS 61 HB1 LYS 61 -3.586 -1.886 -6.833 443 1HG LYS 61 HG2 LYS 61 -3.365 -3.403 -8.678 444 2HG LYS 61 HG1 LYS 61 -2.947 -4.734 -7.596 445 1HD LYS 61 HD2 LYS 61 -5.172 -4.494 -6.519 446 2HD LYS 61 HD1 LYS 61 -5.591 -3.279 -7.727 447 1HE LYS 61 HE2 LYS 61 -5.348 -4.934 -9.495 448 2HE LYS 61 HE1 LYS 61 -4.823 -6.137 -8.321 449 1HZ LYS 61 HZ1 LYS 61 -7.029 -5.981 -7.267 450 2HZ LYS 61 HZ2 LYS 61 -7.136 -6.451 -8.872 451 3HZ LYS 61 HZ3 LYS 61 -7.499 -4.859 -8.437 452 H ARG 62 H ARG 62 -0.376 -0.327 -6.506 453 HA ARG 62 HA ARG 62 0.448 -0.487 -9.273 454 1HB ARG 62 HB2 ARG 62 -0.408 1.603 -10.034 455 2HB ARG 62 HB1 ARG 62 -1.755 0.808 -9.252 456 1HG ARG 62 HG2 ARG 62 -0.066 2.988 -8.044 457 2HG ARG 62 HG1 ARG 62 -1.617 3.253 -8.802 458 1HD ARG 62 HD2 ARG 62 -1.048 1.650 -6.322 459 2HD ARG 62 HD1 ARG 62 -1.784 3.251 -6.419 460 HE ARG 62 HE ARG 62 -3.372 1.544 -7.921 461 1HH1 ARG 62 HH11 ARG 62 -2.213 1.534 -4.583 462 2HH1 ARG 62 HH12 ARG 62 -3.793 1.307 -3.949 463 1HH2 ARG 62 HH21 ARG 62 -5.495 1.008 -6.986 464 2HH2 ARG 62 HH22 ARG 62 -5.620 0.895 -5.289 465 H TYR 63 H TYR 63 2.240 0.784 -9.805 466 HA TYR 63 HA TYR 63 4.094 0.866 -7.672 467 1HB TYR 63 HB2 TYR 63 5.740 1.547 -9.406 468 2HB TYR 63 HB1 TYR 63 4.836 0.100 -9.818 469 HD1 TYR 63 HD1 TYR 63 3.292 0.094 -11.696 470 HD2 TYR 63 HD2 TYR 63 5.381 3.645 -10.644 471 HE1 TYR 63 HE1 TYR 63 2.679 1.092 -13.853 472 HE2 TYR 63 HE2 TYR 63 4.769 4.654 -12.798 473 HH TYR 63 HH TYR 63 2.428 3.278 -14.866 474 H ASP 64 H ASP 64 2.223 3.381 -9.201 475 HA ASP 64 HA ASP 64 3.953 5.483 -8.531 476 1HB ASP 64 HB2 ASP 64 1.902 6.921 -8.765 477 2HB ASP 64 HB1 ASP 64 2.471 6.054 -10.208 478 H ALA 65 H ALA 65 1.562 3.905 -6.643 479 HA ALA 65 HA ALA 65 1.178 5.869 -4.659 480 1HB ALA 65 HB1 ALA 65 1.151 2.868 -4.367 481 2HB ALA 65 HB2 ALA 65 -0.234 3.901 -4.719 482 3HB ALA 65 HB3 ALA 65 0.548 3.985 -3.154 483 H LEU 66 H LEU 66 3.888 3.834 -5.244 484 HA LEU 66 HA LEU 66 5.174 4.318 -2.702 485 1HB LEU 66 HB2 LEU 66 6.320 3.189 -5.224 486 2HB LEU 66 HB1 LEU 66 7.087 3.175 -3.652 487 HG LEU 66 HG LEU 66 6.337 1.040 -3.903 488 1HD1 LEU 66 HD11 LEU 66 5.642 1.934 -1.741 489 2HD1 LEU 66 HD12 LEU 66 4.511 0.701 -2.323 490 3HD1 LEU 66 HD13 LEU 66 4.101 2.410 -2.474 491 1HD2 LEU 66 HD21 LEU 66 5.048 1.324 -5.897 492 2HD2 LEU 66 HD22 LEU 66 3.770 2.129 -5.002 493 3HD2 LEU 66 HD23 LEU 66 4.101 0.411 -4.714 494 H SER 67 H SER 67 5.189 5.621 -5.846 495 HA SER 67 HA SER 67 7.622 7.134 -5.604 496 1HB SER 67 HB2 SER 67 5.414 6.830 -7.482 497 2HB SER 67 HB1 SER 67 6.462 8.235 -7.673 498 HG SER 67 HG SER 67 8.182 6.486 -7.505 499 H GLU 68 H GLU 68 4.246 7.808 -5.492 500 HA GLU 68 HA GLU 68 4.590 10.573 -4.849 501 1HB GLU 68 HB2 GLU 68 2.047 9.239 -4.140 502 2HB GLU 68 HB1 GLU 68 2.387 10.782 -4.924 503 1HG GLU 68 HG2 GLU 68 3.117 9.465 -6.950 504 2HG GLU 68 HG1 GLU 68 2.528 8.079 -6.122 505 H HIS 69 H HIS 69 4.615 7.687 -3.225 506 HA HIS 69 HA HIS 69 3.595 8.154 -0.724 507 1HB HIS 69 HB2 HIS 69 4.660 6.061 -1.705 508 2HB HIS 69 HB1 HIS 69 6.183 6.741 -1.085 509 HD1 HIS 69 HD1 HIS 69 2.891 5.368 0.021 510 HD2 HIS 69 HD2 HIS 69 6.535 6.564 1.472 511 HE1 HIS 69 HE1 HIS 69 2.919 4.610 2.425 512 H ASN 70 H ASN 70 7.069 8.694 -1.555 513 HA ASN 70 HA ASN 70 7.578 10.174 0.828 514 1HB ASN 70 HB2 ASN 70 9.732 10.744 -0.249 515 2HB ASN 70 HB1 ASN 70 9.411 9.018 -0.144 516 1HD2 ASN 70 HD21 ASN 70 11.233 10.106 -1.722 517 2HD2 ASN 70 HD22 ASN 70 10.823 9.856 -3.401 518 H LEU 71 H LEU 71 5.978 11.017 -1.862 519 HA LEU 71 HA LEU 71 6.565 13.834 -1.735 520 1HB LEU 71 HB2 LEU 71 5.966 13.277 -3.890 521 2HB LEU 71 HB1 LEU 71 4.869 12.022 -3.381 522 HG LEU 71 HG LEU 71 3.185 13.669 -2.910 523 1HD1 LEU 71 HD11 LEU 71 5.188 15.661 -4.050 524 2HD1 LEU 71 HD12 LEU 71 4.630 15.620 -2.376 525 3HD1 LEU 71 HD13 LEU 71 3.509 16.040 -3.674 526 1HD2 LEU 71 HD21 LEU 71 4.370 13.890 -5.664 527 2HD2 LEU 71 HD22 LEU 71 2.722 14.339 -5.233 528 3HD2 LEU 71 HD23 LEU 71 3.244 12.663 -5.084 529 H LYS 72 H LYS 72 3.865 11.724 -0.872 530 HA LYS 72 HA LYS 72 2.829 13.913 0.770 531 1HB LYS 72 HB2 LYS 72 0.708 12.275 0.561 532 2HB LYS 72 HB1 LYS 72 0.973 13.703 -0.466 533 1HG LYS 72 HG2 LYS 72 2.169 12.062 -1.996 534 2HG LYS 72 HG1 LYS 72 1.476 10.779 -1.057 535 1HD LYS 72 HD2 LYS 72 -0.013 12.932 -2.557 536 2HD LYS 72 HD1 LYS 72 0.067 11.210 -2.941 537 1HE LYS 72 HE2 LYS 72 -1.170 10.687 -0.889 538 2HE LYS 72 HE1 LYS 72 -1.180 12.388 -0.454 539 1HZ LYS 72 HZ1 LYS 72 -2.533 12.857 -2.374 540 2HZ LYS 72 HZ2 LYS 72 -3.278 11.691 -1.409 541 3HZ LYS 72 HZ3 LYS 72 -2.510 11.239 -2.852 542 H TYR 73 H TYR 73 3.442 10.568 0.899 543 HA TYR 73 HA TYR 73 2.393 10.230 3.567 544 1HB TYR 73 HB2 TYR 73 3.851 8.424 1.692 545 2HB TYR 73 HB1 TYR 73 3.354 7.896 3.296 546 HD1 TYR 73 HD1 TYR 73 1.840 9.645 0.365 547 HD2 TYR 73 HD2 TYR 73 1.447 6.617 3.303 548 HE1 TYR 73 HE1 TYR 73 -0.271 9.027 -0.595 549 HE2 TYR 73 HE2 TYR 73 -0.723 5.974 2.337 550 HH TYR 73 HH TYR 73 -2.351 6.850 1.128 551 H HIS 74 H HIS 74 5.606 9.963 2.076 552 HA HIS 74 HA HIS 74 6.762 10.663 4.723 553 1HB HIS 74 HB2 HIS 74 8.021 9.029 2.508 554 2HB HIS 74 HB1 HIS 74 8.871 9.511 3.973 555 HD1 HIS 74 HD1 HIS 74 6.783 8.584 6.088 556 HD2 HIS 74 HD2 HIS 74 7.888 6.421 2.740 557 HE1 HIS 74 HE1 HIS 74 6.136 6.183 6.565 558 HA PRO 75 HA PRO 75 7.608 13.888 1.501 559 1HB PRO 75 HB2 PRO 75 6.765 16.028 2.815 560 2HB PRO 75 HB1 PRO 75 5.617 14.929 2.032 561 1HG PRO 75 HG2 PRO 75 6.445 15.003 4.927 562 2HG PRO 75 HG1 PRO 75 4.801 14.906 4.250 563 1HD PRO 75 HD2 PRO 75 6.171 12.726 5.127 564 2HD PRO 75 HD1 PRO 75 5.026 12.681 3.771 565 H GLY 76 H GLY 76 9.129 15.417 1.292 566 1HA GLY 76 HA2 GLY 76 10.584 16.948 2.803 567 2HA GLY 76 HA1 GLY 76 11.207 15.397 3.354 568 H GLU 77 H GLU 77 11.371 13.958 1.054 569 HA GLU 77 HA GLU 77 12.854 15.425 -0.928 570 1HB GLU 77 HB2 GLU 77 14.931 14.131 -0.610 571 2HB GLU 77 HB1 GLU 77 14.578 15.156 0.771 572 1HG GLU 77 HG2 GLU 77 14.987 13.338 2.017 573 2HG GLU 77 HG1 GLU 77 13.414 12.768 1.441 574 H GLU 78 H GLU 78 13.760 13.745 -2.540 575 HA GLU 78 HA GLU 78 11.829 11.555 -2.633 576 1HB GLU 78 HB2 GLU 78 11.071 13.418 -4.057 577 2HB GLU 78 HB1 GLU 78 12.640 13.305 -4.866 578 1HG GLU 78 HG2 GLU 78 12.100 11.117 -5.720 579 2HG GLU 78 HG1 GLU 78 10.577 11.104 -4.833 580 H ASN 79 H ASN 79 13.410 10.133 -2.011 581 HA ASN 79 HA ASN 79 15.146 9.218 -4.165 582 1HB ASN 79 HB2 ASN 79 16.042 9.873 -1.362 583 2HB ASN 79 HB1 ASN 79 17.053 9.004 -2.527 584 1HD2 ASN 79 HD21 ASN 79 15.626 11.954 -1.616 585 2HD2 ASN 79 HD22 ASN 79 16.466 13.070 -2.630 586 H PHE 80 H PHE 80 13.793 7.446 -4.241 587 HA PHE 80 HA PHE 80 13.658 5.746 -1.860 588 1HB PHE 80 HB2 PHE 80 11.854 6.236 -4.113 589 2HB PHE 80 HB1 PHE 80 12.136 4.531 -3.816 590 HD1 PHE 80 HD1 PHE 80 10.272 7.409 -2.902 591 HD2 PHE 80 HD2 PHE 80 11.724 3.719 -1.422 592 HE1 PHE 80 HE1 PHE 80 8.486 7.388 -1.184 593 HE2 PHE 80 HE2 PHE 80 9.951 3.681 0.261 594 HZ PHE 80 HZ PHE 80 8.324 5.520 0.381 595 H LYS 81 H LYS 81 14.290 3.593 -1.988 596 HA LYS 81 HA LYS 81 16.048 2.894 -4.245 597 1HB LYS 81 HB2 LYS 81 17.557 2.012 -2.701 598 2HB LYS 81 HB1 LYS 81 16.729 3.159 -1.649 599 1HG LYS 81 HG2 LYS 81 15.335 1.483 -0.738 600 2HG LYS 81 HG1 LYS 81 15.898 0.297 -1.907 601 1HD LYS 81 HD2 LYS 81 18.210 0.678 -0.907 602 2HD LYS 81 HD1 LYS 81 17.333 1.497 0.402 603 1HE LYS 81 HE2 LYS 81 15.948 -0.510 0.707 604 2HE LYS 81 HE1 LYS 81 16.869 -1.300 -0.564 605 1HZ LYS 81 HZ1 LYS 81 18.024 -0.343 2.018 606 2HZ LYS 81 HZ2 LYS 81 18.839 -1.238 0.830 607 3HZ LYS 81 HZ3 LYS 81 17.592 -1.933 1.700 608 H LEU 82 H LEU 82 16.036 0.363 -4.519 609 HA LEU 82 HA LEU 82 13.421 -0.678 -3.816 610 1HB LEU 82 HB2 LEU 82 13.207 -1.788 -6.005 611 2HB LEU 82 HB1 LEU 82 13.183 -0.050 -6.144 612 HG LEU 82 HG LEU 82 15.696 -1.601 -6.641 613 1HD1 LEU 82 HD11 LEU 82 13.505 -0.938 -8.639 614 2HD1 LEU 82 HD12 LEU 82 13.938 -2.559 -8.094 615 3HD1 LEU 82 HD13 LEU 82 15.081 -1.618 -9.049 616 1HD2 LEU 82 HD21 LEU 82 15.880 0.836 -6.435 617 2HD2 LEU 82 HD22 LEU 82 14.684 1.038 -7.716 618 3HD2 LEU 82 HD23 LEU 82 16.246 0.303 -8.073 619 H THR 83 H THR 83 13.452 -2.627 -2.989 620 HA THR 83 HA THR 83 15.746 -4.344 -3.400 621 HB THR 83 HB THR 83 16.321 -3.128 -1.385 622 HG1 THR 83 HG1 THR 83 16.166 -4.865 0.198 623 1HG2 THR 83 HG21 THR 83 14.910 -3.042 0.623 624 2HG2 THR 83 HG22 THR 83 13.658 -3.946 -0.223 625 3HG2 THR 83 HG23 THR 83 14.074 -2.318 -0.759 626 H MET 84 H MET 84 14.833 -6.429 -3.908 627 HA MET 84 HA MET 84 12.015 -6.660 -3.076 628 1HB MET 84 HB2 MET 84 12.436 -7.093 -5.461 629 2HB MET 84 HB1 MET 84 13.622 -8.315 -4.993 630 1HG MET 84 HG2 MET 84 11.896 -9.693 -4.017 631 2HG MET 84 HG1 MET 84 10.681 -8.469 -4.360 632 1HE MET 84 HE1 MET 84 13.185 -11.091 -5.898 633 2HE MET 84 HE2 MET 84 13.654 -9.607 -6.728 634 3HE MET 84 HE3 MET 84 12.876 -10.908 -7.623 635 H VAL 85 H VAL 85 11.990 -7.361 -1.098 636 HA VAL 85 HA VAL 85 12.844 -10.063 -0.718 637 HB VAL 85 HB VAL 85 13.594 -9.284 1.722 638 1HG1 VAL 85 HG11 VAL 85 15.304 -8.918 -0.735 639 2HG1 VAL 85 HG12 VAL 85 15.047 -10.432 0.130 640 3HG1 VAL 85 HG13 VAL 85 15.930 -9.109 0.904 641 1HG2 VAL 85 HG21 VAL 85 14.197 -6.841 0.039 642 2HG2 VAL 85 HG22 VAL 85 14.773 -7.111 1.686 643 3HG2 VAL 85 HG23 VAL 85 13.044 -6.897 1.374 644 H LYS 86 H LYS 86 10.816 -10.899 -0.326 645 HA LYS 86 HA LYS 86 9.462 -9.647 1.901 646 1HB LYS 86 HB2 LYS 86 8.464 -8.873 -0.376 647 2HB LYS 86 HB1 LYS 86 7.819 -10.515 -0.461 648 1HG LYS 86 HG2 LYS 86 6.149 -9.055 0.313 649 2HG LYS 86 HG1 LYS 86 6.622 -10.122 1.626 650 1HD LYS 86 HD2 LYS 86 7.797 -8.476 2.765 651 2HD LYS 86 HD1 LYS 86 8.016 -7.495 1.328 652 1HE LYS 86 HE2 LYS 86 5.789 -6.587 1.510 653 2HE LYS 86 HE1 LYS 86 5.306 -7.822 2.673 654 1HZ LYS 86 HZ1 LYS 86 7.374 -5.757 3.005 655 2HZ LYS 86 HZ2 LYS 86 7.001 -6.947 4.120 656 3HZ LYS 86 HZ3 LYS 86 5.854 -5.767 3.802 657 H ARG 87 H ARG 87 9.161 -11.159 3.335 658 HA ARG 87 HA ARG 87 9.215 -13.821 2.231 659 1HB ARG 87 HB2 ARG 87 10.381 -12.866 4.849 660 2HB ARG 87 HB1 ARG 87 10.228 -14.566 4.422 661 1HG ARG 87 HG2 ARG 87 12.450 -14.081 3.787 662 2HG ARG 87 HG1 ARG 87 11.535 -13.921 2.287 663 1HD ARG 87 HD2 ARG 87 13.003 -12.081 2.320 664 2HD ARG 87 HD1 ARG 87 11.415 -11.450 2.724 665 HE ARG 87 HE ARG 87 13.134 -12.119 4.958 666 1HH1 ARG 87 HH11 ARG 87 11.801 -9.465 2.941 667 2HH1 ARG 87 HH12 ARG 87 12.504 -8.260 3.883 668 1HH2 ARG 87 HH21 ARG 87 14.109 -10.401 6.181 669 2HH2 ARG 87 HH22 ARG 87 13.883 -8.774 5.726 670 H ASN 88 H ASN 88 8.205 -15.498 3.521 671 HA ASN 88 HA ASN 88 6.427 -16.493 4.391 672 1HB ASN 88 HB2 ASN 88 6.608 -15.155 6.417 673 2HB ASN 88 HB1 ASN 88 5.786 -13.806 5.649 674 1HD2 ASN 88 HD21 ASN 88 5.399 -17.011 6.983 675 2HD2 ASN 88 HD22 ASN 88 3.689 -16.927 7.171 676 H ASN 89 H ASN 89 5.547 -13.387 3.119 677 HA ASN 89 HA ASN 89 2.923 -14.252 2.283 678 1HB ASN 89 HB2 ASN 89 4.356 -11.716 1.481 679 2HB ASN 89 HB1 ASN 89 2.635 -12.033 1.378 680 1HD2 ASN 89 HD21 ASN 89 5.307 -11.208 3.445 681 2HD2 ASN 89 HD22 ASN 89 4.343 -10.785 4.805 682 H GLN 90 H GLN 90 5.323 -12.599 0.214 683 HA GLN 90 HA GLN 90 5.400 -14.607 -1.810 684 1HB GLN 90 HB2 GLN 90 4.246 -13.365 -3.516 685 2HB GLN 90 HB1 GLN 90 3.156 -13.433 -2.120 686 1HG GLN 90 HG2 GLN 90 4.889 -11.109 -2.756 687 2HG GLN 90 HG1 GLN 90 3.247 -11.257 -3.389 688 1HE2 GLN 90 HE21 GLN 90 5.260 -10.528 -0.741 689 2HE2 GLN 90 HE22 GLN 90 3.956 -10.016 0.315 690 H THR 91 H THR 91 6.680 -13.478 -3.711 691 HA THR 91 HA THR 91 8.524 -11.657 -2.432 692 HB THR 91 HB THR 91 9.925 -12.149 -4.557 693 HG1 THR 91 HG1 THR 91 8.416 -13.239 -5.773 694 1HG2 THR 91 HG21 THR 91 9.458 -14.330 -2.502 695 2HG2 THR 91 HG22 THR 91 10.421 -12.911 -2.218 696 3HG2 THR 91 HG23 THR 91 10.932 -14.079 -3.431 697 H ILE 92 H ILE 92 8.245 -9.657 -2.656 698 HA ILE 92 HA ILE 92 7.463 -8.502 -5.136 699 HB ILE 92 HB ILE 92 5.983 -6.880 -3.836 700 1HG1 ILE 92 HG12 ILE 92 4.848 -8.145 -1.853 701 2HG1 ILE 92 HG11 ILE 92 6.371 -8.997 -1.828 702 1HG2 ILE 92 HG21 ILE 92 5.037 -8.431 -5.382 703 2HG2 ILE 92 HG22 ILE 92 4.003 -8.313 -3.964 704 3HG2 ILE 92 HG23 ILE 92 5.056 -9.717 -4.181 705 1HD1 ILE 92 HD11 ILE 92 6.369 -7.096 -0.293 706 2HD1 ILE 92 HD12 ILE 92 6.190 -6.011 -1.673 707 3HD1 ILE 92 HD13 ILE 92 7.624 -7.014 -1.516 708 H PHE 93 H PHE 93 7.865 -6.100 -5.126 709 HA PHE 93 HA PHE 93 10.631 -5.874 -4.236 710 1HB PHE 93 HB2 PHE 93 8.852 -4.208 -6.001 711 2HB PHE 93 HB1 PHE 93 10.530 -3.830 -5.732 712 HD1 PHE 93 HD1 PHE 93 12.253 -5.251 -6.705 713 HD2 PHE 93 HD2 PHE 93 8.127 -5.958 -7.445 714 HE1 PHE 93 HE1 PHE 93 12.845 -6.665 -8.642 715 HE2 PHE 93 HE2 PHE 93 8.704 -7.374 -9.375 716 HZ PHE 93 HZ PHE 93 11.064 -7.726 -9.973 717 H GLU 94 H GLU 94 11.085 -4.736 -2.395 718 HA GLU 94 HA GLU 94 9.046 -3.056 -1.270 719 1HB GLU 94 HB2 GLU 94 11.688 -3.904 -0.030 720 2HB GLU 94 HB1 GLU 94 10.280 -3.225 0.764 721 1HG GLU 94 HG2 GLU 94 9.110 -5.351 -0.108 722 2HG GLU 94 HG1 GLU 94 10.750 -6.014 -0.124 723 H GLN 95 H GLN 95 9.463 -0.948 -0.889 724 HA GLN 95 HA GLN 95 11.851 0.145 -2.231 725 1HB GLN 95 HB2 GLN 95 9.458 0.329 -3.311 726 2HB GLN 95 HB1 GLN 95 9.210 1.580 -2.104 727 1HG GLN 95 HG2 GLN 95 11.084 2.822 -2.971 728 2HG GLN 95 HG1 GLN 95 11.438 1.522 -4.102 729 1HE2 GLN 95 HE21 GLN 95 9.373 4.205 -3.350 730 2HE2 GLN 95 HE22 GLN 95 8.616 4.302 -4.888 731 H THR 96 H THR 96 13.151 1.007 -0.681 732 HA THR 96 HA THR 96 11.919 2.210 1.711 733 HB THR 96 HB THR 96 14.752 1.812 1.978 734 HG1 THR 96 HG1 THR 96 14.241 -0.672 1.995 735 1HG2 THR 96 HG21 THR 96 12.414 0.450 3.348 736 2HG2 THR 96 HG22 THR 96 13.115 1.975 3.834 737 3HG2 THR 96 HG23 THR 96 14.072 0.492 3.944 738 H ILE 97 H ILE 97 13.135 4.034 2.593 739 HA ILE 97 HA ILE 97 14.230 5.740 0.456 740 HB ILE 97 HB ILE 97 13.229 6.644 3.172 741 1HG1 ILE 97 HG12 ILE 97 11.589 6.639 0.682 742 2HG1 ILE 97 HG11 ILE 97 11.591 5.219 1.702 743 1HG2 ILE 97 HG21 ILE 97 13.291 8.010 0.458 744 2HG2 ILE 97 HG22 ILE 97 14.613 8.098 1.600 745 3HG2 ILE 97 HG23 ILE 97 13.045 8.749 2.052 746 1HD1 ILE 97 HD11 ILE 97 9.752 6.368 2.311 747 2HD1 ILE 97 HD12 ILE 97 10.504 7.935 2.177 748 3HD1 ILE 97 HD13 ILE 97 10.894 6.862 3.559 749 H ASN 98 H ASN 98 16.003 6.995 1.034 750 HA ASN 98 HA ASN 98 17.819 5.620 2.834 751 1HB ASN 98 HB2 ASN 98 19.482 7.201 1.702 752 2HB ASN 98 HB1 ASN 98 18.768 5.953 0.679 753 1HD2 ASN 98 HD21 ASN 98 17.185 9.012 1.681 754 2HD2 ASN 98 HD22 ASN 98 17.112 9.658 0.108 755 H ASP 99 H ASP 99 15.570 7.827 3.324 756 HA ASP 99 HA ASP 99 17.167 9.439 5.182 757 1HB ASP 99 HB2 ASP 99 17.269 10.421 2.905 758 2HB ASP 99 HB1 ASP 99 15.564 10.730 3.038 759 H LEU 100 H LEU 100 14.004 9.246 3.571 760 HA LEU 100 HA LEU 100 12.580 10.434 5.779 761 1HB LEU 100 HB2 LEU 100 11.442 9.084 3.307 762 2HB LEU 100 HB1 LEU 100 10.696 10.243 4.369 763 HG LEU 100 HG LEU 100 13.138 11.177 3.003 764 1HD1 LEU 100 HD11 LEU 100 11.657 11.763 1.045 765 2HD1 LEU 100 HD12 LEU 100 10.543 10.514 1.645 766 3HD1 LEU 100 HD13 LEU 100 12.182 10.101 1.149 767 1HD2 LEU 100 HD21 LEU 100 11.898 13.203 2.918 768 2HD2 LEU 100 HD22 LEU 100 11.713 12.543 4.554 769 3HD2 LEU 100 HD23 LEU 100 10.421 12.372 3.346 770 H THR 101 H THR 101 14.004 7.838 5.885 771 HA THR 101 HA THR 101 12.267 5.679 6.335 772 HB THR 101 HB THR 101 15.016 6.181 7.484 773 HG1 THR 101 HG1 THR 101 14.235 5.199 4.956 774 1HG2 THR 101 HG21 THR 101 15.317 3.772 7.208 775 2HG2 THR 101 HG22 THR 101 13.769 3.637 6.413 776 3HG2 THR 101 HG23 THR 101 13.835 4.031 8.142 777 H PHE 102 H PHE 102 13.147 8.487 8.146 778 HA PHE 102 HA PHE 102 11.651 7.556 10.477 779 1HB PHE 102 HB2 PHE 102 14.264 9.080 10.533 780 2HB PHE 102 HB1 PHE 102 13.239 8.829 11.938 781 HD1 PHE 102 HD1 PHE 102 15.685 7.356 9.681 782 HD2 PHE 102 HD2 PHE 102 13.041 6.593 12.927 783 HE1 PHE 102 HE1 PHE 102 16.863 5.256 10.142 784 HE2 PHE 102 HE2 PHE 102 14.221 4.489 13.395 785 HZ PHE 102 HZ PHE 102 16.135 3.818 12.004 Start of MODEL 6 1 HA MET 1 HA MET 1 12.789 -5.936 -26.559 2 1HB MET 1 HB2 MET 1 10.937 -7.277 -27.462 3 2HB MET 1 HB1 MET 1 12.109 -6.908 -28.716 4 1HG MET 1 HG2 MET 1 13.008 -9.171 -28.560 5 2HG MET 1 HG1 MET 1 11.891 -9.536 -27.255 6 1HE MET 1 HE1 MET 1 11.160 -7.439 -30.540 7 2HE MET 1 HE2 MET 1 10.619 -8.727 -31.620 8 3HE MET 1 HE3 MET 1 12.286 -8.699 -31.044 9 H ALA 2 H ALA 2 11.871 -6.113 -24.602 10 HA ALA 2 HA ALA 2 11.826 -8.714 -23.278 11 1HB ALA 2 HB1 ALA 2 12.979 -6.168 -22.110 12 2HB ALA 2 HB2 ALA 2 13.898 -7.606 -22.556 13 3HB ALA 2 HB3 ALA 2 12.734 -7.680 -21.231 14 H HIS 3 H HIS 3 9.833 -7.185 -24.560 15 HA HIS 3 HA HIS 3 8.497 -5.500 -22.653 16 1HB HIS 3 HB2 HIS 3 8.456 -5.006 -25.096 17 2HB HIS 3 HB1 HIS 3 7.511 -6.466 -25.351 18 HD1 HIS 3 HD1 HIS 3 5.154 -5.713 -25.862 19 HD2 HIS 3 HD2 HIS 3 6.915 -3.483 -22.829 20 HE1 HIS 3 HE1 HIS 3 3.402 -4.092 -25.076 21 H HIS 4 H HIS 4 6.890 -5.996 -21.354 22 HA HIS 4 HA HIS 4 5.861 -8.732 -21.447 23 1HB HIS 4 HB2 HIS 4 6.317 -6.925 -19.058 24 2HB HIS 4 HB1 HIS 4 5.462 -8.460 -18.982 25 HD1 HIS 4 HD1 HIS 4 8.840 -7.018 -18.789 26 HD2 HIS 4 HD2 HIS 4 7.149 -10.725 -19.610 27 HE1 HIS 4 HE1 HIS 4 10.684 -8.696 -18.515 28 H HIS 5 H HIS 5 3.691 -8.907 -20.400 29 HA HIS 5 HA HIS 5 1.981 -6.764 -21.409 30 1HB HIS 5 HB2 HIS 5 1.224 -9.526 -20.387 31 2HB HIS 5 HB1 HIS 5 0.126 -8.368 -21.118 32 HD1 HIS 5 HD1 HIS 5 0.542 -7.938 -23.780 33 HD2 HIS 5 HD2 HIS 5 2.494 -11.185 -22.098 34 HE1 HIS 5 HE1 HIS 5 1.278 -9.382 -25.705 35 H HIS 6 H HIS 6 0.537 -5.693 -20.019 36 HA HIS 6 HA HIS 6 1.196 -6.071 -17.204 37 1HB HIS 6 HB2 HIS 6 0.353 -3.800 -16.772 38 2HB HIS 6 HB1 HIS 6 1.588 -3.763 -18.015 39 HD1 HIS 6 HD1 HIS 6 -1.740 -2.514 -17.275 40 HD2 HIS 6 HD2 HIS 6 0.383 -3.503 -20.709 41 HE1 HIS 6 HE1 HIS 6 -2.914 -1.365 -19.179 42 H HIS 7 H HIS 7 -0.268 -6.753 -15.796 43 HA HIS 7 HA HIS 7 -2.808 -7.533 -16.918 44 1HB HIS 7 HB2 HIS 7 -3.098 -8.879 -14.785 45 2HB HIS 7 HB1 HIS 7 -1.766 -9.366 -15.815 46 HD1 HIS 7 HD1 HIS 7 0.569 -9.356 -14.748 47 HD2 HIS 7 HD2 HIS 7 -2.334 -7.635 -12.337 48 HE1 HIS 7 HE1 HIS 7 1.634 -9.044 -12.492 49 H HIS 8 H HIS 8 -4.437 -6.303 -16.797 50 HA HIS 8 HA HIS 8 -4.507 -4.142 -14.883 51 1HB HIS 8 HB2 HIS 8 -5.144 -3.659 -17.190 52 2HB HIS 8 HB1 HIS 8 -6.408 -4.880 -17.131 53 HD1 HIS 8 HD1 HIS 8 -5.803 -1.294 -16.456 54 HD2 HIS 8 HD2 HIS 8 -8.630 -4.152 -15.422 55 HE1 HIS 8 HE1 HIS 8 -7.793 -0.042 -15.580 56 H ASN 9 H ASN 9 -5.497 -4.238 -13.031 57 HA ASN 9 HA ASN 9 -8.035 -5.417 -12.792 58 1HB ASN 9 HB2 ASN 9 -7.571 -6.951 -10.856 59 2HB ASN 9 HB1 ASN 9 -6.850 -7.508 -12.346 60 1HD2 ASN 9 HD21 ASN 9 -4.580 -7.503 -12.513 61 2HD2 ASN 9 HD22 ASN 9 -3.568 -7.396 -11.118 62 H GLN 10 H GLN 10 -8.227 -3.107 -12.608 63 HA GLN 10 HA GLN 10 -7.278 -2.045 -10.154 64 1HB GLN 10 HB2 GLN 10 -8.500 0.065 -10.719 65 2HB GLN 10 HB1 GLN 10 -7.394 -0.453 -11.967 66 1HG GLN 10 HG2 GLN 10 -9.214 0.282 -13.172 67 2HG GLN 10 HG1 GLN 10 -9.505 -1.448 -13.082 68 1HE2 GLN 10 HE21 GLN 10 -11.676 -1.187 -13.423 69 2HE2 GLN 10 HE22 GLN 10 -12.750 -0.543 -12.241 70 H GLN 11 H GLN 11 -7.961 -2.497 -8.374 71 HA GLN 11 HA GLN 11 -10.730 -3.429 -8.009 72 1HB GLN 11 HB2 GLN 11 -8.636 -4.821 -7.458 73 2HB GLN 11 HB1 GLN 11 -8.405 -3.718 -6.114 74 1HG GLN 11 HG2 GLN 11 -10.607 -4.409 -5.246 75 2HG GLN 11 HG1 GLN 11 -10.722 -5.572 -6.573 76 1HE2 GLN 11 HE21 GLN 11 -10.723 -6.182 -3.818 77 2HE2 GLN 11 HE22 GLN 11 -9.331 -7.148 -3.474 78 H ASN 12 H ASN 12 -8.741 -0.835 -7.694 79 HA ASN 12 HA ASN 12 -10.401 0.581 -5.901 80 1HB ASN 12 HB2 ASN 12 -8.332 1.284 -4.506 81 2HB ASN 12 HB1 ASN 12 -9.038 -0.282 -4.158 82 1HD2 ASN 12 HD21 ASN 12 -7.204 -1.174 -3.300 83 2HD2 ASN 12 HD22 ASN 12 -5.767 -1.455 -4.189 84 H LYS 13 H LYS 13 -9.926 2.861 -6.022 85 HA LYS 13 HA LYS 13 -9.234 3.404 -8.757 86 1HB LYS 13 HB2 LYS 13 -10.508 5.123 -6.652 87 2HB LYS 13 HB1 LYS 13 -9.938 5.815 -8.157 88 1HG LYS 13 HG2 LYS 13 -12.280 5.390 -8.370 89 2HG LYS 13 HG1 LYS 13 -11.423 4.243 -9.385 90 1HD LYS 13 HD2 LYS 13 -13.194 3.067 -8.312 91 2HD LYS 13 HD1 LYS 13 -11.694 2.561 -7.538 92 1HE LYS 13 HE2 LYS 13 -12.127 4.094 -5.677 93 2HE LYS 13 HE1 LYS 13 -13.608 4.633 -6.457 94 1HZ LYS 13 HZ1 LYS 13 -14.477 2.381 -6.279 95 2HZ LYS 13 HZ2 LYS 13 -14.074 2.975 -4.759 96 3HZ LYS 13 HZ3 LYS 13 -13.064 1.868 -5.521 97 H LYS 14 H LYS 14 -7.978 4.695 -5.660 98 HA LYS 14 HA LYS 14 -5.383 4.878 -6.754 99 1HB LYS 14 HB2 LYS 14 -6.442 6.878 -7.866 100 2HB LYS 14 HB1 LYS 14 -6.809 7.520 -6.277 101 1HG LYS 14 HG2 LYS 14 -4.858 8.642 -7.159 102 2HG LYS 14 HG1 LYS 14 -4.377 7.637 -5.795 103 1HD LYS 14 HD2 LYS 14 -3.652 5.878 -7.402 104 2HD LYS 14 HD1 LYS 14 -4.047 6.976 -8.726 105 1HE LYS 14 HE2 LYS 14 -1.995 7.472 -6.562 106 2HE LYS 14 HE1 LYS 14 -1.644 6.948 -8.199 107 1HZ LYS 14 HZ1 LYS 14 -2.513 9.057 -9.023 108 2HZ LYS 14 HZ2 LYS 14 -1.295 9.323 -7.882 109 3HZ LYS 14 HZ3 LYS 14 -2.897 9.545 -7.455 110 H VAL 15 H VAL 15 -3.889 5.481 -5.177 111 HA VAL 15 HA VAL 15 -4.677 4.992 -2.507 112 HB VAL 15 HB VAL 15 -2.456 4.487 -3.778 113 1HG1 VAL 15 HG11 VAL 15 -1.855 6.622 -4.539 114 2HG1 VAL 15 HG12 VAL 15 -0.623 6.087 -3.379 115 3HG1 VAL 15 HG13 VAL 15 -1.859 7.256 -2.897 116 1HG2 VAL 15 HG21 VAL 15 -2.765 3.833 -1.498 117 2HG2 VAL 15 HG22 VAL 15 -2.407 5.466 -0.948 118 3HG2 VAL 15 HG23 VAL 15 -1.140 4.488 -1.692 119 H GLU 16 H GLU 16 -5.374 6.535 -1.055 120 HA GLU 16 HA GLU 16 -5.297 9.324 -1.945 121 1HB GLU 16 HB2 GLU 16 -6.859 8.104 0.331 122 2HB GLU 16 HB1 GLU 16 -7.084 9.693 -0.390 123 1HG GLU 16 HG2 GLU 16 -7.851 8.687 -2.441 124 2HG GLU 16 HG1 GLU 16 -7.491 7.087 -1.791 125 H GLY 17 H GLY 17 -5.352 8.091 1.369 126 1HA GLY 17 HA2 GLY 17 -2.760 9.389 1.701 127 2HA GLY 17 HA1 GLY 17 -4.106 9.909 2.718 128 H GLY 18 H GLY 18 -4.495 6.706 2.185 129 1HA GLY 18 HA2 GLY 18 -2.929 6.088 4.598 130 2HA GLY 18 HA1 GLY 18 -4.514 5.378 4.276 131 H TYR 19 H TYR 19 -3.746 3.280 4.411 132 HA TYR 19 HA TYR 19 -1.706 2.553 2.437 133 1HB TYR 19 HB2 TYR 19 -2.653 0.901 4.777 134 2HB TYR 19 HB1 TYR 19 -1.197 0.679 3.811 135 HD1 TYR 19 HD1 TYR 19 0.277 3.047 3.793 136 HD2 TYR 19 HD2 TYR 19 -2.230 1.617 6.928 137 HE1 TYR 19 HE1 TYR 19 1.506 4.429 5.420 138 HE2 TYR 19 HE2 TYR 19 -1.037 2.979 8.517 139 HH TYR 19 HH TYR 19 1.008 5.461 7.698 140 H GLU 20 H GLU 20 -2.446 1.971 0.696 141 HA GLU 20 HA GLU 20 -5.071 0.862 0.322 142 1HB GLU 20 HB2 GLU 20 -4.087 2.397 -1.318 143 2HB GLU 20 HB1 GLU 20 -2.718 1.314 -1.549 144 1HG GLU 20 HG2 GLU 20 -4.531 -0.396 -2.236 145 2HG GLU 20 HG1 GLU 20 -5.558 1.015 -2.418 146 H CYS 21 H CYS 21 -5.342 -1.273 0.632 147 HA CYS 21 HA CYS 21 -3.153 -3.122 0.642 148 1HB CYS 21 HB2 CYS 21 -6.091 -3.656 0.277 149 2HB CYS 21 HB1 CYS 21 -4.868 -4.884 0.514 150 H LYS 22 H LYS 22 -2.373 -4.274 -1.054 151 HA LYS 22 HA LYS 22 -3.087 -3.705 -3.720 152 1HB LYS 22 HB2 LYS 22 -0.872 -4.448 -3.004 153 2HB LYS 22 HB1 LYS 22 -1.545 -5.998 -2.519 154 1HG LYS 22 HG2 LYS 22 -2.191 -6.350 -4.919 155 2HG LYS 22 HG1 LYS 22 -1.282 -4.888 -5.299 156 1HD LYS 22 HD2 LYS 22 0.148 -6.733 -5.693 157 2HD LYS 22 HD1 LYS 22 0.693 -5.937 -4.220 158 1HE LYS 22 HE2 LYS 22 -0.484 -7.645 -2.880 159 2HE LYS 22 HE1 LYS 22 -0.980 -8.446 -4.374 160 1HZ LYS 22 HZ1 LYS 22 1.777 -8.025 -3.419 161 2HZ LYS 22 HZ2 LYS 22 1.384 -8.693 -4.904 162 3HZ LYS 22 HZ3 LYS 22 0.965 -9.508 -3.453 163 H TYR 23 H TYR 23 -4.582 -5.462 -1.390 164 HA TYR 23 HA TYR 23 -5.606 -7.491 -3.200 165 1HB TYR 23 HB2 TYR 23 -5.875 -8.361 -0.495 166 2HB TYR 23 HB1 TYR 23 -4.888 -9.056 -1.776 167 HD1 TYR 23 HD1 TYR 23 -2.499 -8.449 -1.979 168 HD2 TYR 23 HD2 TYR 23 -4.870 -6.953 1.207 169 HE1 TYR 23 HE1 TYR 23 -0.461 -7.783 -0.772 170 HE2 TYR 23 HE2 TYR 23 -2.841 -6.284 2.417 171 HH TYR 23 HH TYR 23 -0.468 -6.863 2.492 172 H CYS 24 H CYS 24 -6.593 -4.713 -1.785 173 HA CYS 24 HA CYS 24 -9.286 -5.601 -2.066 174 1HB CYS 24 HB2 CYS 24 -10.143 -4.956 0.131 175 2HB CYS 24 HB1 CYS 24 -8.944 -6.250 0.206 176 H THR 25 H THR 25 -10.907 -3.896 -1.609 177 HA THR 25 HA THR 25 -10.122 -1.513 -3.008 178 HB THR 25 HB THR 25 -12.820 -2.409 -1.931 179 HG1 THR 25 HG1 THR 25 -11.786 -2.703 -4.564 180 1HG2 THR 25 HG21 THR 25 -12.764 -0.023 -2.559 181 2HG2 THR 25 HG22 THR 25 -13.748 -0.939 -3.700 182 3HG2 THR 25 HG23 THR 25 -12.106 -0.456 -4.136 183 H PHE 26 H PHE 26 -9.961 -2.428 0.177 184 HA PHE 26 HA PHE 26 -10.928 0.125 1.209 185 1HB PHE 26 HB2 PHE 26 -11.951 -1.814 2.271 186 2HB PHE 26 HB1 PHE 26 -10.366 -2.458 2.678 187 HD1 PHE 26 HD1 PHE 26 -12.524 0.525 3.229 188 HD2 PHE 26 HD2 PHE 26 -9.449 -1.987 4.764 189 HE1 PHE 26 HE1 PHE 26 -12.599 1.740 5.364 190 HE2 PHE 26 HE2 PHE 26 -9.520 -0.777 6.902 191 HZ PHE 26 HZ PHE 26 -11.094 1.089 7.205 192 H GLN 27 H GLN 27 -9.566 1.623 1.701 193 HA GLN 27 HA GLN 27 -6.800 0.945 2.334 194 1HB GLN 27 HB2 GLN 27 -6.644 2.368 0.509 195 2HB GLN 27 HB1 GLN 27 -8.086 3.281 0.980 196 1HG GLN 27 HG2 GLN 27 -6.865 4.455 2.641 197 2HG GLN 27 HG1 GLN 27 -5.484 3.384 2.468 198 1HE2 GLN 27 HE21 GLN 27 -4.124 3.730 0.951 199 2HE2 GLN 27 HE22 GLN 27 -4.045 5.089 -0.110 200 H THR 28 H THR 28 -5.974 1.679 4.214 201 HA THR 28 HA THR 28 -7.557 3.516 5.787 202 HB THR 28 HB THR 28 -8.268 1.379 6.706 203 HG1 THR 28 HG1 THR 28 -8.169 2.662 8.384 204 1HG2 THR 28 HG21 THR 28 -6.309 0.011 6.023 205 2HG2 THR 28 HG22 THR 28 -6.696 -0.200 7.733 206 3HG2 THR 28 HG23 THR 28 -5.349 0.820 7.264 207 HA PRO 29 HA PRO 29 -3.460 5.220 6.293 208 1HB PRO 29 HB2 PRO 29 -4.218 7.310 7.879 209 2HB PRO 29 HB1 PRO 29 -4.387 7.292 6.116 210 1HG PRO 29 HG2 PRO 29 -6.439 6.737 8.215 211 2HG PRO 29 HG1 PRO 29 -6.604 7.663 6.713 212 1HD PRO 29 HD2 PRO 29 -7.493 5.118 6.955 213 2HD PRO 29 HD1 PRO 29 -6.841 5.740 5.417 214 H ASP 30 H ASP 30 -5.385 3.762 8.622 215 HA ASP 30 HA ASP 30 -3.451 4.234 10.740 216 1HB ASP 30 HB2 ASP 30 -6.134 2.862 10.720 217 2HB ASP 30 HB1 ASP 30 -5.062 2.849 12.117 218 H LEU 31 H LEU 31 -1.734 3.008 10.645 219 HA LEU 31 HA LEU 31 -1.340 0.711 9.227 220 1HB LEU 31 HB2 LEU 31 0.244 2.315 10.577 221 2HB LEU 31 HB1 LEU 31 0.038 1.134 11.849 222 HG LEU 31 HG LEU 31 2.113 0.671 10.733 223 1HD1 LEU 31 HD11 LEU 31 0.073 -1.271 9.773 224 2HD1 LEU 31 HD12 LEU 31 0.898 -1.328 11.338 225 3HD1 LEU 31 HD13 LEU 31 1.808 -1.576 9.832 226 1HD2 LEU 31 HD21 LEU 31 2.277 0.251 8.344 227 2HD2 LEU 31 HD22 LEU 31 1.648 1.876 8.694 228 3HD2 LEU 31 HD23 LEU 31 0.552 0.603 8.185 229 H ASN 32 H ASN 32 -2.405 1.100 12.622 230 HA ASN 32 HA ASN 32 -2.317 -1.522 13.456 231 1HB ASN 32 HB2 ASN 32 -2.890 0.698 14.738 232 2HB ASN 32 HB1 ASN 32 -4.522 0.322 14.179 233 1HD2 ASN 32 HD21 ASN 32 -4.292 -2.577 14.487 234 2HD2 ASN 32 HD22 ASN 32 -4.310 -2.805 16.189 235 H MET 33 H MET 33 -4.862 0.260 11.786 236 HA MET 33 HA MET 33 -6.690 -1.964 11.811 237 1HB MET 33 HB2 MET 33 -6.772 0.546 10.127 238 2HB MET 33 HB1 MET 33 -8.092 -0.595 10.354 239 1HG MET 33 HG2 MET 33 -6.808 1.051 12.468 240 2HG MET 33 HG1 MET 33 -8.341 1.448 11.686 241 1HE MET 33 HE1 MET 33 -9.532 1.624 14.090 242 2HE MET 33 HE2 MET 33 -7.997 1.241 14.874 243 3HE MET 33 HE3 MET 33 -9.455 0.351 15.309 244 H PHE 34 H PHE 34 -4.367 -0.597 9.646 245 HA PHE 34 HA PHE 34 -5.061 -2.073 7.357 246 1HB PHE 34 HB2 PHE 34 -3.580 -0.194 7.123 247 2HB PHE 34 HB1 PHE 34 -2.430 -0.880 8.248 248 HD1 PHE 34 HD1 PHE 34 -3.945 -1.353 4.875 249 HD2 PHE 34 HD2 PHE 34 -0.733 -2.297 7.515 250 HE1 PHE 34 HE1 PHE 34 -2.736 -2.401 3.014 251 HE2 PHE 34 HE2 PHE 34 0.492 -3.350 5.638 252 HZ PHE 34 HZ PHE 34 -0.521 -3.399 3.388 253 H THR 35 H THR 35 -2.575 -2.693 9.781 254 HA THR 35 HA THR 35 -1.928 -5.165 8.559 255 HB THR 35 HB THR 35 -0.216 -3.824 9.744 256 HG1 THR 35 HG1 THR 35 0.864 -5.517 10.224 257 1HG2 THR 35 HG21 THR 35 -1.678 -4.645 12.250 258 2HG2 THR 35 HG22 THR 35 -1.535 -3.016 11.567 259 3HG2 THR 35 HG23 THR 35 -0.103 -3.832 12.188 260 H PHE 36 H PHE 36 -4.159 -4.203 11.053 261 HA PHE 36 HA PHE 36 -4.605 -6.759 12.134 262 1HB PHE 36 HB2 PHE 36 -5.432 -5.062 13.468 263 2HB PHE 36 HB1 PHE 36 -6.113 -4.164 12.128 264 HD1 PHE 36 HD1 PHE 36 -6.512 -7.556 13.649 265 HD2 PHE 36 HD2 PHE 36 -8.399 -4.084 12.119 266 HE1 PHE 36 HE1 PHE 36 -8.721 -8.527 14.187 267 HE2 PHE 36 HE2 PHE 36 -10.601 -5.037 12.627 268 HZ PHE 36 HZ PHE 36 -10.769 -7.264 13.667 269 H HIS 37 H HIS 37 -6.329 -4.897 9.635 270 HA HIS 37 HA HIS 37 -7.977 -7.122 9.139 271 1HB HIS 37 HB2 HIS 37 -9.239 -5.838 7.666 272 2HB HIS 37 HB1 HIS 37 -8.532 -4.611 8.698 273 HD1 HIS 37 HD1 HIS 37 -7.026 -2.878 7.546 274 HD2 HIS 37 HD2 HIS 37 -8.337 -5.921 5.063 275 HE1 HIS 37 HE1 HIS 37 -6.581 -2.077 5.186 276 H VAL 38 H VAL 38 -4.954 -6.130 7.913 277 HA VAL 38 HA VAL 38 -4.927 -7.863 5.684 278 HB VAL 38 HB VAL 38 -2.711 -6.725 7.368 279 1HG1 VAL 38 HG11 VAL 38 -1.954 -8.895 6.452 280 2HG1 VAL 38 HG12 VAL 38 -1.110 -7.566 5.657 281 3HG1 VAL 38 HG13 VAL 38 -2.442 -8.385 4.834 282 1HG2 VAL 38 HG21 VAL 38 -2.220 -5.405 5.362 283 2HG2 VAL 38 HG22 VAL 38 -3.882 -5.175 5.914 284 3HG2 VAL 38 HG23 VAL 38 -3.546 -6.206 4.523 285 H ASP 39 H ASP 39 -3.783 -8.355 9.044 286 HA ASP 39 HA ASP 39 -3.037 -11.066 8.654 287 1HB ASP 39 HB2 ASP 39 -2.249 -9.892 10.635 288 2HB ASP 39 HB1 ASP 39 -3.923 -9.587 11.099 289 H SER 40 H SER 40 -6.016 -9.559 9.214 290 HA SER 40 HA SER 40 -7.369 -12.011 9.947 291 1HB SER 40 HB2 SER 40 -7.996 -9.810 10.967 292 2HB SER 40 HB1 SER 40 -8.570 -9.295 9.389 293 HG SER 40 HG SER 40 -10.182 -10.760 9.459 294 H GLU 41 H GLU 41 -7.351 -9.810 7.152 295 HA GLU 41 HA GLU 41 -9.304 -11.612 5.877 296 1HB GLU 41 HB2 GLU 41 -8.763 -8.730 5.202 297 2HB GLU 41 HB1 GLU 41 -10.071 -9.733 4.594 298 1HG GLU 41 HG2 GLU 41 -9.678 -8.846 7.429 299 2HG GLU 41 HG1 GLU 41 -10.844 -8.180 6.290 300 H HIS 42 H HIS 42 -6.089 -10.410 5.615 301 HA HIS 42 HA HIS 42 -5.857 -11.744 2.998 302 1HB HIS 42 HB2 HIS 42 -4.204 -9.291 3.508 303 2HB HIS 42 HB1 HIS 42 -4.691 -10.028 1.996 304 HD1 HIS 42 HD1 HIS 42 -7.532 -9.618 1.626 305 HD2 HIS 42 HD2 HIS 42 -5.324 -6.915 3.888 306 HE1 HIS 42 HE1 HIS 42 -8.884 -7.491 1.694 307 HA PRO 43 HA PRO 43 -2.729 -12.542 6.458 308 1HB PRO 43 HB2 PRO 43 -3.119 -15.217 6.809 309 2HB PRO 43 HB1 PRO 43 -4.077 -13.950 7.617 310 1HG PRO 43 HG2 PRO 43 -4.727 -15.441 5.073 311 2HG PRO 43 HG1 PRO 43 -5.769 -15.224 6.499 312 1HD PRO 43 HD2 PRO 43 -5.997 -13.699 4.341 313 2HD PRO 43 HD1 PRO 43 -6.166 -13.025 5.979 314 H ASN 44 H ASN 44 -3.477 -14.291 3.518 315 HA ASN 44 HA ASN 44 -0.625 -14.519 2.904 316 1HB ASN 44 HB2 ASN 44 -2.727 -16.645 2.385 317 2HB ASN 44 HB1 ASN 44 -1.148 -16.620 1.611 318 1HD2 ASN 44 HD21 ASN 44 -2.903 -17.287 4.476 319 2HD2 ASN 44 HD22 ASN 44 -1.605 -17.972 5.376 320 H VAL 45 H VAL 45 -0.151 -13.759 0.908 321 HA VAL 45 HA VAL 45 -2.343 -13.231 -0.922 322 HB VAL 45 HB VAL 45 -1.507 -10.884 -1.279 323 1HG1 VAL 45 HG11 VAL 45 -2.616 -9.943 0.679 324 2HG1 VAL 45 HG12 VAL 45 -2.597 -11.547 1.442 325 3HG1 VAL 45 HG13 VAL 45 -3.515 -11.274 -0.049 326 1HG2 VAL 45 HG21 VAL 45 0.695 -11.090 -0.254 327 2HG2 VAL 45 HG22 VAL 45 -0.055 -11.384 1.319 328 3HG2 VAL 45 HG23 VAL 45 -0.247 -9.817 0.527 329 H VAL 46 H VAL 46 -1.631 -12.694 -3.075 330 HA VAL 46 HA VAL 46 1.123 -12.802 -3.651 331 HB VAL 46 HB VAL 46 0.499 -15.232 -3.353 332 1HG1 VAL 46 HG11 VAL 46 -1.222 -14.822 -5.770 333 2HG1 VAL 46 HG12 VAL 46 -1.746 -15.226 -4.136 334 3HG1 VAL 46 HG13 VAL 46 -0.805 -16.387 -5.071 335 1HG2 VAL 46 HG21 VAL 46 1.401 -14.536 -6.156 336 2HG2 VAL 46 HG22 VAL 46 1.612 -16.100 -5.370 337 3HG2 VAL 46 HG23 VAL 46 2.435 -14.678 -4.735 338 H LEU 47 H LEU 47 1.312 -12.733 -6.235 339 HA LEU 47 HA LEU 47 -1.001 -11.996 -7.688 340 1HB LEU 47 HB2 LEU 47 -0.638 -9.862 -6.455 341 2HB LEU 47 HB1 LEU 47 0.981 -9.772 -7.107 342 HG LEU 47 HG LEU 47 0.029 -9.564 -9.391 343 1HD1 LEU 47 HD11 LEU 47 -2.085 -10.707 -9.058 344 2HD1 LEU 47 HD12 LEU 47 -2.357 -9.069 -9.655 345 3HD1 LEU 47 HD13 LEU 47 -2.617 -9.441 -7.952 346 1HD2 LEU 47 HD21 LEU 47 0.621 -7.564 -8.116 347 2HD2 LEU 47 HD22 LEU 47 -0.999 -7.529 -7.416 348 3HD2 LEU 47 HD23 LEU 47 -0.781 -7.274 -9.146 349 H ASN 48 H ASN 48 2.374 -10.913 -7.872 350 HA ASN 48 HA ASN 48 3.462 -12.806 -9.563 351 1HB ASN 48 HB2 ASN 48 1.790 -12.012 -11.266 352 2HB ASN 48 HB1 ASN 48 2.414 -10.380 -11.083 353 1HD2 ASN 48 HD21 ASN 48 4.385 -9.813 -12.122 354 2HD2 ASN 48 HD22 ASN 48 5.120 -10.888 -13.241 355 H SER 49 H SER 49 3.260 -9.273 -9.669 356 HA SER 49 HA SER 49 5.802 -8.994 -8.347 357 1HB SER 49 HB2 SER 49 6.321 -7.292 -10.248 358 2HB SER 49 HB1 SER 49 6.551 -9.006 -10.606 359 HG SER 49 HG SER 49 5.120 -7.392 -11.991 360 H SER 50 H SER 50 5.579 -7.255 -6.868 361 HA SER 50 HA SER 50 3.697 -5.173 -7.511 362 1HB SER 50 HB2 SER 50 3.648 -6.663 -4.904 363 2HB SER 50 HB1 SER 50 2.538 -5.441 -5.511 364 HG SER 50 HG SER 50 2.388 -7.161 -7.309 365 H TYR 51 H TYR 51 3.953 -3.470 -5.723 366 HA TYR 51 HA TYR 51 6.684 -3.440 -4.685 367 1HB TYR 51 HB2 TYR 51 5.022 -1.404 -6.046 368 2HB TYR 51 HB1 TYR 51 6.062 -0.877 -4.743 369 HD1 TYR 51 HD1 TYR 51 6.958 -3.545 -7.185 370 HD2 TYR 51 HD2 TYR 51 7.467 0.501 -5.997 371 HE1 TYR 51 HE1 TYR 51 8.818 -3.307 -8.783 372 HE2 TYR 51 HE2 TYR 51 9.313 0.748 -7.572 373 HH TYR 51 HH TYR 51 9.931 -1.504 -10.001 374 H VAL 52 H VAL 52 6.914 -2.723 -2.642 375 HA VAL 52 HA VAL 52 4.510 -1.984 -1.128 376 HB VAL 52 HB VAL 52 4.973 -4.398 -0.772 377 1HG1 VAL 52 HG11 VAL 52 7.300 -4.372 -1.263 378 2HG1 VAL 52 HG12 VAL 52 6.963 -5.111 0.304 379 3HG1 VAL 52 HG13 VAL 52 7.606 -3.474 0.228 380 1HG2 VAL 52 HG21 VAL 52 5.241 -4.462 1.645 381 2HG2 VAL 52 HG22 VAL 52 4.094 -3.231 1.123 382 3HG2 VAL 52 HG23 VAL 52 5.721 -2.761 1.628 383 H CYS 53 H CYS 53 4.916 -0.459 0.408 384 HA CYS 53 HA CYS 53 7.558 0.829 0.463 385 1HB CYS 53 HB2 CYS 53 5.635 2.255 0.514 386 2HB CYS 53 HB1 CYS 53 4.933 1.397 1.876 387 H VAL 54 H VAL 54 8.994 -0.468 1.499 388 HA VAL 54 HA VAL 54 8.479 -2.374 3.416 389 HB VAL 54 HB VAL 54 10.957 -0.982 3.968 390 1HG1 VAL 54 HG11 VAL 54 10.367 -3.579 2.770 391 2HG1 VAL 54 HG12 VAL 54 10.484 -3.287 4.526 392 3HG1 VAL 54 HG13 VAL 54 11.917 -3.115 3.464 393 1HG2 VAL 54 HG21 VAL 54 10.999 -0.178 1.810 394 2HG2 VAL 54 HG22 VAL 54 10.280 -1.600 1.151 395 3HG2 VAL 54 HG23 VAL 54 11.960 -1.655 1.722 396 H GLU 55 H GLU 55 9.003 1.012 3.710 397 HA GLU 55 HA GLU 55 9.533 1.294 6.395 398 1HB GLU 55 HB2 GLU 55 7.925 3.252 4.755 399 2HB GLU 55 HB1 GLU 55 8.943 3.611 6.139 400 1HG GLU 55 HG2 GLU 55 9.956 2.594 3.483 401 2HG GLU 55 HG1 GLU 55 9.922 4.278 3.966 402 H CYS 56 H CYS 56 6.566 1.157 4.615 403 HA CYS 56 HA CYS 56 4.922 1.352 7.099 404 1HB CYS 56 HB2 CYS 56 3.914 1.368 4.277 405 2HB CYS 56 HB1 CYS 56 3.092 1.961 5.721 406 H ASN 57 H ASN 57 6.155 -0.859 4.967 407 HA ASN 57 HA ASN 57 5.738 -2.941 4.201 408 1HB ASN 57 HB2 ASN 57 5.276 -3.018 7.065 409 2HB ASN 57 HB1 ASN 57 4.194 -4.125 6.196 410 1HD2 ASN 57 HD21 ASN 57 7.192 -3.415 4.963 411 2HD2 ASN 57 HD22 ASN 57 7.859 -4.988 5.294 412 H PHE 58 H PHE 58 4.156 -1.396 2.903 413 HA PHE 58 HA PHE 58 1.517 -2.639 3.055 414 1HB PHE 58 HB2 PHE 58 0.349 -0.684 3.228 415 2HB PHE 58 HB1 PHE 58 1.866 -0.012 3.788 416 HD1 PHE 58 HD1 PHE 58 -0.454 -0.260 0.963 417 HD2 PHE 58 HD2 PHE 58 3.077 1.584 2.407 418 HE1 PHE 58 HE1 PHE 58 -0.570 1.408 -0.867 419 HE2 PHE 58 HE2 PHE 58 2.949 3.250 0.550 420 HZ PHE 58 HZ PHE 58 1.139 3.136 -1.059 421 H LEU 59 H LEU 59 0.878 -3.496 1.264 422 HA LEU 59 HA LEU 59 2.496 -3.153 -1.139 423 1HB LEU 59 HB2 LEU 59 0.775 -5.279 -0.032 424 2HB LEU 59 HB1 LEU 59 0.814 -5.110 -1.765 425 HG LEU 59 HG LEU 59 3.334 -5.523 -0.150 426 1HD1 LEU 59 HD11 LEU 59 3.067 -7.868 -0.775 427 2HD1 LEU 59 HD12 LEU 59 1.514 -7.444 -1.546 428 3HD1 LEU 59 HD13 LEU 59 1.684 -7.313 0.194 429 1HD2 LEU 59 HD21 LEU 59 2.594 -5.893 -3.061 430 2HD2 LEU 59 HD22 LEU 59 4.145 -6.276 -2.349 431 3HD2 LEU 59 HD23 LEU 59 3.608 -4.602 -2.419 432 H THR 60 H THR 60 1.624 -2.312 -2.934 433 HA THR 60 HA THR 60 -1.208 -1.637 -2.860 434 HB THR 60 HB THR 60 -0.228 0.407 -2.432 435 HG1 THR 60 HG1 THR 60 -1.561 0.572 -4.269 436 1HG2 THR 60 HG21 THR 60 2.089 -0.285 -2.678 437 2HG2 THR 60 HG22 THR 60 1.834 1.282 -3.393 438 3HG2 THR 60 HG23 THR 60 1.974 -0.143 -4.430 439 H LYS 61 H LYS 61 -2.101 -1.190 -5.057 440 HA LYS 61 HA LYS 61 -1.278 -3.371 -6.824 441 1HB LYS 61 HB2 LYS 61 -3.611 -1.482 -7.129 442 2HB LYS 61 HB1 LYS 61 -3.358 -3.006 -7.965 443 1HG LYS 61 HG2 LYS 61 -3.559 -4.165 -5.764 444 2HG LYS 61 HG1 LYS 61 -3.932 -2.585 -5.055 445 1HD LYS 61 HD2 LYS 61 -5.989 -3.724 -5.436 446 2HD LYS 61 HD1 LYS 61 -5.857 -2.410 -6.601 447 1HE LYS 61 HE2 LYS 61 -6.669 -4.278 -7.786 448 2HE LYS 61 HE1 LYS 61 -4.989 -4.112 -8.246 449 1HZ LYS 61 HZ1 LYS 61 -4.499 -5.891 -6.554 450 2HZ LYS 61 HZ2 LYS 61 -5.420 -6.365 -7.879 451 3HZ LYS 61 HZ3 LYS 61 -6.163 -6.120 -6.398 452 H ARG 62 H ARG 62 -0.405 -0.264 -6.453 453 HA ARG 62 HA ARG 62 0.083 0.062 -9.308 454 1HB ARG 62 HB2 ARG 62 -0.543 2.396 -9.187 455 2HB ARG 62 HB1 ARG 62 -1.879 1.413 -8.617 456 1HG ARG 62 HG2 ARG 62 -1.019 1.899 -6.274 457 2HG ARG 62 HG1 ARG 62 -0.012 3.131 -7.027 458 1HD ARG 62 HD2 ARG 62 -1.926 4.283 -6.346 459 2HD ARG 62 HD1 ARG 62 -2.172 4.005 -8.067 460 HE ARG 62 HE ARG 62 -3.433 2.425 -5.897 461 1HH1 ARG 62 HH11 ARG 62 -3.634 3.667 -9.252 462 2HH1 ARG 62 HH12 ARG 62 -5.230 3.127 -9.428 463 1HH2 ARG 62 HH21 ARG 62 -5.453 1.726 -6.195 464 2HH2 ARG 62 HH22 ARG 62 -6.342 1.962 -7.637 465 H TYR 63 H TYR 63 2.090 0.943 -9.771 466 HA TYR 63 HA TYR 63 4.034 0.850 -7.671 467 1HB TYR 63 HB2 TYR 63 4.356 1.837 -10.523 468 2HB TYR 63 HB1 TYR 63 5.664 1.447 -9.417 469 HD1 TYR 63 HD1 TYR 63 3.785 0.233 -12.099 470 HD2 TYR 63 HD2 TYR 63 5.495 -1.048 -8.429 471 HE1 TYR 63 HE1 TYR 63 3.764 -2.082 -12.908 472 HE2 TYR 63 HE2 TYR 63 5.477 -3.370 -9.230 473 HH TYR 63 HH TYR 63 4.968 -4.137 -12.474 474 H ASP 64 H ASP 64 2.080 3.164 -9.114 475 HA ASP 64 HA ASP 64 3.326 5.654 -8.721 476 1HB ASP 64 HB2 ASP 64 0.388 5.074 -8.362 477 2HB ASP 64 HB1 ASP 64 1.128 6.588 -8.849 478 H ALA 65 H ALA 65 1.550 3.673 -6.448 479 HA ALA 65 HA ALA 65 1.105 5.765 -4.605 480 1HB ALA 65 HB1 ALA 65 1.100 2.796 -4.216 481 2HB ALA 65 HB2 ALA 65 -0.280 3.808 -4.632 482 3HB ALA 65 HB3 ALA 65 0.490 3.966 -3.049 483 H LEU 66 H LEU 66 3.772 3.741 -5.203 484 HA LEU 66 HA LEU 66 5.058 4.234 -2.663 485 1HB LEU 66 HB2 LEU 66 6.233 3.192 -5.201 486 2HB LEU 66 HB1 LEU 66 7.017 3.159 -3.635 487 HG LEU 66 HG LEU 66 6.332 0.987 -3.959 488 1HD1 LEU 66 HD11 LEU 66 5.723 1.762 -1.751 489 2HD1 LEU 66 HD12 LEU 66 4.579 0.543 -2.321 490 3HD1 LEU 66 HD13 LEU 66 4.133 2.243 -2.350 491 1HD2 LEU 66 HD21 LEU 66 3.672 2.017 -4.893 492 2HD2 LEU 66 HD22 LEU 66 4.110 0.308 -4.744 493 3HD2 LEU 66 HD23 LEU 66 4.952 1.354 -5.899 494 H SER 67 H SER 67 5.043 5.516 -5.884 495 HA SER 67 HA SER 67 7.418 7.118 -5.694 496 1HB SER 67 HB2 SER 67 5.060 6.846 -7.411 497 2HB SER 67 HB1 SER 67 6.128 8.226 -7.692 498 HG SER 67 HG SER 67 7.579 5.973 -7.509 499 H GLU 68 H GLU 68 3.960 7.733 -5.515 500 HA GLU 68 HA GLU 68 4.339 10.457 -4.780 501 1HB GLU 68 HB2 GLU 68 1.840 9.157 -3.957 502 2HB GLU 68 HB1 GLU 68 2.122 10.678 -4.796 503 1HG GLU 68 HG2 GLU 68 2.705 9.243 -6.830 504 2HG GLU 68 HG1 GLU 68 2.067 7.934 -5.912 505 H HIS 69 H HIS 69 4.458 7.568 -3.158 506 HA HIS 69 HA HIS 69 3.468 8.029 -0.629 507 1HB HIS 69 HB2 HIS 69 4.546 5.946 -1.610 508 2HB HIS 69 HB1 HIS 69 6.057 6.620 -0.977 509 HD1 HIS 69 HD1 HIS 69 2.659 5.498 0.229 510 HD2 HIS 69 HD2 HIS 69 6.504 6.155 1.520 511 HE1 HIS 69 HE1 HIS 69 2.700 4.680 2.617 512 H ASN 70 H ASN 70 6.930 8.566 -1.431 513 HA ASN 70 HA ASN 70 7.411 10.059 0.980 514 1HB ASN 70 HB2 ASN 70 9.586 10.598 -0.094 515 2HB ASN 70 HB1 ASN 70 9.249 8.878 0.006 516 1HD2 ASN 70 HD21 ASN 70 11.075 9.970 -1.569 517 2HD2 ASN 70 HD22 ASN 70 10.633 9.714 -3.252 518 H LEU 71 H LEU 71 5.928 10.880 -1.829 519 HA LEU 71 HA LEU 71 6.547 13.690 -1.753 520 1HB LEU 71 HB2 LEU 71 6.130 12.974 -3.897 521 2HB LEU 71 HB1 LEU 71 4.915 11.831 -3.386 522 HG LEU 71 HG LEU 71 3.334 13.592 -3.117 523 1HD1 LEU 71 HD11 LEU 71 5.511 15.371 -4.336 524 2HD1 LEU 71 HD12 LEU 71 4.929 15.475 -2.679 525 3HD1 LEU 71 HD13 LEU 71 3.854 15.894 -4.016 526 1HD2 LEU 71 HD21 LEU 71 4.654 13.503 -5.822 527 2HD2 LEU 71 HD22 LEU 71 3.031 14.117 -5.516 528 3HD2 LEU 71 HD23 LEU 71 3.405 12.422 -5.202 529 H LYS 72 H LYS 72 3.773 11.644 -0.921 530 HA LYS 72 HA LYS 72 2.612 13.935 0.477 531 1HB LYS 72 HB2 LYS 72 0.516 12.168 0.278 532 2HB LYS 72 HB1 LYS 72 0.751 13.557 -0.785 533 1HG LYS 72 HG2 LYS 72 2.141 11.908 -2.196 534 2HG LYS 72 HG1 LYS 72 1.419 10.650 -1.247 535 1HD LYS 72 HD2 LYS 72 -0.051 12.656 -2.947 536 2HD LYS 72 HD1 LYS 72 0.222 10.958 -3.322 537 1HE LYS 72 HE2 LYS 72 -1.168 10.357 -1.319 538 2HE LYS 72 HE1 LYS 72 -1.465 12.063 -1.075 539 1HZ LYS 72 HZ1 LYS 72 -2.249 10.540 -3.504 540 2HZ LYS 72 HZ2 LYS 72 -2.573 12.159 -3.195 541 3HZ LYS 72 HZ3 LYS 72 -3.260 10.971 -2.226 542 H TYR 73 H TYR 73 3.287 10.616 0.830 543 HA TYR 73 HA TYR 73 2.131 10.370 3.488 544 1HB TYR 73 HB2 TYR 73 3.704 8.459 1.794 545 2HB TYR 73 HB1 TYR 73 3.048 8.036 3.375 546 HD1 TYR 73 HD1 TYR 73 1.850 9.572 0.157 547 HD2 TYR 73 HD2 TYR 73 1.112 6.810 3.304 548 HE1 TYR 73 HE1 TYR 73 -0.184 8.883 -0.932 549 HE2 TYR 73 HE2 TYR 73 -0.968 6.136 2.189 550 HH TYR 73 HH TYR 73 -2.538 7.166 0.688 551 H HIS 74 H HIS 74 5.443 9.929 2.124 552 HA HIS 74 HA HIS 74 6.497 10.633 4.822 553 1HB HIS 74 HB2 HIS 74 7.773 8.959 2.651 554 2HB HIS 74 HB1 HIS 74 8.612 9.431 4.120 555 HD1 HIS 74 HD1 HIS 74 6.308 8.580 6.154 556 HD2 HIS 74 HD2 HIS 74 7.718 6.365 2.950 557 HE1 HIS 74 HE1 HIS 74 5.658 6.186 6.636 558 HA PRO 75 HA PRO 75 7.717 13.974 1.772 559 1HB PRO 75 HB2 PRO 75 6.976 16.091 3.226 560 2HB PRO 75 HB1 PRO 75 5.804 15.143 2.289 561 1HG PRO 75 HG2 PRO 75 6.473 14.939 5.215 562 2HG PRO 75 HG1 PRO 75 4.871 15.037 4.458 563 1HD PRO 75 HD2 PRO 75 5.925 12.669 5.203 564 2HD PRO 75 HD1 PRO 75 4.940 12.861 3.737 565 H GLY 76 H GLY 76 9.461 15.278 1.700 566 1HA GLY 76 HA2 GLY 76 10.905 16.677 3.418 567 2HA GLY 76 HA1 GLY 76 11.389 15.054 3.885 568 H GLU 77 H GLU 77 11.295 13.948 1.236 569 HA GLU 77 HA GLU 77 13.013 15.353 -0.524 570 1HB GLU 77 HB2 GLU 77 14.958 13.820 -0.289 571 2HB GLU 77 HB1 GLU 77 14.708 14.784 1.154 572 1HG GLU 77 HG2 GLU 77 14.923 12.844 2.258 573 2HG GLU 77 HG1 GLU 77 13.272 12.544 1.700 574 H GLU 78 H GLU 78 13.738 13.606 -2.253 575 HA GLU 78 HA GLU 78 11.627 11.573 -2.321 576 1HB GLU 78 HB2 GLU 78 10.994 13.571 -3.725 577 2HB GLU 78 HB1 GLU 78 12.464 13.230 -4.646 578 1HG GLU 78 HG2 GLU 78 11.605 11.101 -5.324 579 2HG GLU 78 HG1 GLU 78 10.149 11.326 -4.354 580 H ASN 79 H ASN 79 13.179 10.038 -1.781 581 HA ASN 79 HA ASN 79 14.830 9.117 -4.004 582 1HB ASN 79 HB2 ASN 79 15.820 9.696 -1.234 583 2HB ASN 79 HB1 ASN 79 16.786 8.818 -2.440 584 1HD2 ASN 79 HD21 ASN 79 15.572 11.767 -1.351 585 2HD2 ASN 79 HD22 ASN 79 16.291 12.874 -2.477 586 H PHE 80 H PHE 80 13.487 7.363 -4.101 587 HA PHE 80 HA PHE 80 13.391 5.605 -1.762 588 1HB PHE 80 HB2 PHE 80 11.557 6.141 -3.975 589 2HB PHE 80 HB1 PHE 80 11.843 4.433 -3.714 590 HD1 PHE 80 HD1 PHE 80 9.945 7.241 -2.737 591 HD2 PHE 80 HD2 PHE 80 11.547 3.601 -1.263 592 HE1 PHE 80 HE1 PHE 80 8.204 7.173 -0.979 593 HE2 PHE 80 HE2 PHE 80 9.805 3.521 0.448 594 HZ PHE 80 HZ PHE 80 8.131 5.300 0.593 595 H LYS 81 H LYS 81 14.078 3.483 -1.901 596 HA LYS 81 HA LYS 81 15.778 2.812 -4.215 597 1HB LYS 81 HB2 LYS 81 17.388 2.018 -2.725 598 2HB LYS 81 HB1 LYS 81 16.556 3.159 -1.664 599 1HG LYS 81 HG2 LYS 81 15.249 1.465 -0.675 600 2HG LYS 81 HG1 LYS 81 15.801 0.277 -1.837 601 1HD LYS 81 HD2 LYS 81 18.139 0.757 -0.920 602 2HD LYS 81 HD1 LYS 81 17.253 1.521 0.420 603 1HE LYS 81 HE2 LYS 81 15.983 -0.520 0.772 604 2HE LYS 81 HE1 LYS 81 16.842 -1.282 -0.562 605 1HZ LYS 81 HZ1 LYS 81 18.154 -0.285 1.906 606 2HZ LYS 81 HZ2 LYS 81 18.885 -1.169 0.687 607 3HZ LYS 81 HZ3 LYS 81 17.715 -1.882 1.678 608 H LEU 82 H LEU 82 15.856 0.278 -4.474 609 HA LEU 82 HA LEU 82 13.318 -0.849 -3.618 610 1HB LEU 82 HB2 LEU 82 13.072 -2.017 -5.754 611 2HB LEU 82 HB1 LEU 82 13.018 -0.284 -5.962 612 HG LEU 82 HG LEU 82 15.541 -1.822 -6.475 613 1HD1 LEU 82 HD11 LEU 82 13.272 -1.268 -8.408 614 2HD1 LEU 82 HD12 LEU 82 13.761 -2.857 -7.818 615 3HD1 LEU 82 HD13 LEU 82 14.846 -1.925 -8.849 616 1HD2 LEU 82 HD21 LEU 82 14.452 0.772 -7.583 617 2HD2 LEU 82 HD22 LEU 82 16.003 0.046 -8.000 618 3HD2 LEU 82 HD23 LEU 82 15.711 0.616 -6.358 619 H THR 83 H THR 83 13.405 -2.902 -2.922 620 HA THR 83 HA THR 83 15.827 -4.413 -3.328 621 HB THR 83 HB THR 83 16.276 -3.290 -1.235 622 HG1 THR 83 HG1 THR 83 15.976 -5.195 0.284 623 1HG2 THR 83 HG21 THR 83 14.772 -3.340 0.709 624 2HG2 THR 83 HG22 THR 83 13.588 -4.235 -0.239 625 3HG2 THR 83 HG23 THR 83 13.987 -2.576 -0.681 626 H MET 84 H MET 84 15.180 -6.637 -3.694 627 HA MET 84 HA MET 84 12.250 -7.001 -3.474 628 1HB MET 84 HB2 MET 84 14.158 -9.038 -4.625 629 2HB MET 84 HB1 MET 84 12.447 -8.797 -4.949 630 1HG MET 84 HG2 MET 84 12.879 -6.868 -6.211 631 2HG MET 84 HG1 MET 84 14.602 -6.928 -5.833 632 1HE MET 84 HE1 MET 84 15.745 -10.134 -7.767 633 2HE MET 84 HE2 MET 84 15.226 -10.079 -6.088 634 3HE MET 84 HE3 MET 84 16.245 -8.791 -6.741 635 H VAL 85 H VAL 85 11.891 -7.528 -1.376 636 HA VAL 85 HA VAL 85 12.748 -10.134 -0.599 637 HB VAL 85 HB VAL 85 13.103 -9.142 1.849 638 1HG1 VAL 85 HG11 VAL 85 15.256 -8.959 -0.262 639 2HG1 VAL 85 HG12 VAL 85 14.825 -10.400 0.661 640 3HG1 VAL 85 HG13 VAL 85 15.535 -9.007 1.478 641 1HG2 VAL 85 HG21 VAL 85 12.613 -6.818 1.270 642 2HG2 VAL 85 HG22 VAL 85 13.929 -6.829 0.100 643 3HG2 VAL 85 HG23 VAL 85 14.287 -6.971 1.824 644 H LYS 86 H LYS 86 10.629 -10.980 -0.422 645 HA LYS 86 HA LYS 86 9.236 -9.566 1.671 646 1HB LYS 86 HB2 LYS 86 8.249 -8.968 -0.634 647 2HB LYS 86 HB1 LYS 86 7.608 -10.621 -0.589 648 1HG LYS 86 HG2 LYS 86 5.927 -9.073 0.112 649 2HG LYS 86 HG1 LYS 86 6.380 -10.156 1.417 650 1HD LYS 86 HD2 LYS 86 7.579 -8.522 2.580 651 2HD LYS 86 HD1 LYS 86 7.795 -7.529 1.147 652 1HE LYS 86 HE2 LYS 86 5.610 -6.638 1.310 653 2HE LYS 86 HE1 LYS 86 5.080 -7.874 2.457 654 1HZ LYS 86 HZ1 LYS 86 6.650 -6.940 4.033 655 2HZ LYS 86 HZ2 LYS 86 5.580 -5.737 3.525 656 3HZ LYS 86 HZ3 LYS 86 7.166 -5.823 2.894 657 H ARG 87 H ARG 87 8.681 -10.811 3.195 658 HA ARG 87 HA ARG 87 8.893 -13.625 2.561 659 1HB ARG 87 HB2 ARG 87 9.819 -12.184 5.054 660 2HB ARG 87 HB1 ARG 87 9.861 -13.923 4.814 661 1HG ARG 87 HG2 ARG 87 12.088 -13.255 4.370 662 2HG ARG 87 HG1 ARG 87 11.348 -13.404 2.775 663 1HD ARG 87 HD2 ARG 87 12.698 -11.380 2.860 664 2HD ARG 87 HD1 ARG 87 10.996 -10.991 2.686 665 HE ARG 87 HE ARG 87 12.064 -10.983 5.384 666 1HH1 ARG 87 HH11 ARG 87 11.153 -8.934 2.578 667 2HH1 ARG 87 HH12 ARG 87 11.044 -7.523 3.430 668 1HH2 ARG 87 HH21 ARG 87 11.903 -8.974 6.597 669 2HH2 ARG 87 HH22 ARG 87 11.481 -7.533 5.798 670 H ASN 88 H ASN 88 7.512 -14.980 3.574 671 HA ASN 88 HA ASN 88 5.765 -15.789 4.733 672 1HB ASN 88 HB2 ASN 88 6.631 -14.387 6.645 673 2HB ASN 88 HB1 ASN 88 5.560 -13.096 6.124 674 1HD2 ASN 88 HD21 ASN 88 4.460 -13.106 8.066 675 2HD2 ASN 88 HD22 ASN 88 3.344 -14.352 8.492 676 H ASN 89 H ASN 89 5.582 -13.972 2.262 677 HA ASN 89 HA ASN 89 2.644 -13.936 2.182 678 1HB ASN 89 HB2 ASN 89 4.324 -11.551 1.347 679 2HB ASN 89 HB1 ASN 89 2.614 -11.734 1.018 680 1HD2 ASN 89 HD21 ASN 89 5.045 -11.033 3.376 681 2HD2 ASN 89 HD22 ASN 89 3.957 -10.440 4.574 682 H GLN 90 H GLN 90 5.068 -12.571 0.031 683 HA GLN 90 HA GLN 90 5.171 -14.677 -1.835 684 1HB GLN 90 HB2 GLN 90 4.246 -13.533 -3.730 685 2HB GLN 90 HB1 GLN 90 2.963 -13.485 -2.505 686 1HG GLN 90 HG2 GLN 90 4.870 -11.235 -2.975 687 2HG GLN 90 HG1 GLN 90 3.466 -11.447 -4.010 688 1HE2 GLN 90 HE21 GLN 90 4.643 -10.568 -0.926 689 2HE2 GLN 90 HE22 GLN 90 3.164 -9.900 -0.308 690 H THR 91 H THR 91 6.641 -13.659 -3.682 691 HA THR 91 HA THR 91 8.337 -11.789 -2.289 692 HB THR 91 HB THR 91 10.009 -12.473 -4.180 693 HG1 THR 91 HG1 THR 91 8.208 -14.701 -4.179 694 1HG2 THR 91 HG21 THR 91 9.250 -14.396 -1.948 695 2HG2 THR 91 HG22 THR 91 10.304 -13.011 -1.758 696 3HG2 THR 91 HG23 THR 91 10.804 -14.358 -2.770 697 H ILE 92 H ILE 92 8.207 -9.802 -2.689 698 HA ILE 92 HA ILE 92 7.602 -8.740 -5.235 699 HB ILE 92 HB ILE 92 6.064 -7.057 -4.089 700 1HG1 ILE 92 HG12 ILE 92 4.769 -8.247 -2.165 701 2HG1 ILE 92 HG11 ILE 92 6.288 -9.106 -2.019 702 1HG2 ILE 92 HG21 ILE 92 4.087 -8.544 -4.242 703 2HG2 ILE 92 HG22 ILE 92 5.197 -9.908 -4.472 704 3HG2 ILE 92 HG23 ILE 92 5.149 -8.594 -5.645 705 1HD1 ILE 92 HD11 ILE 92 6.179 -7.132 -0.544 706 2HD1 ILE 92 HD12 ILE 92 6.129 -6.110 -1.983 707 3HD1 ILE 92 HD13 ILE 92 7.528 -7.120 -1.664 708 H PHE 93 H PHE 93 7.994 -6.291 -5.213 709 HA PHE 93 HA PHE 93 10.721 -6.076 -4.213 710 1HB PHE 93 HB2 PHE 93 9.041 -4.209 -5.878 711 2HB PHE 93 HB1 PHE 93 10.759 -4.076 -5.611 712 HD1 PHE 93 HD1 PHE 93 8.119 -6.017 -7.272 713 HD2 PHE 93 HD2 PHE 93 12.232 -5.232 -6.895 714 HE1 PHE 93 HE1 PHE 93 8.503 -7.222 -9.391 715 HE2 PHE 93 HE2 PHE 93 12.674 -6.440 -9.030 716 HZ PHE 93 HZ PHE 93 10.794 -7.431 -10.268 717 H GLU 94 H GLU 94 11.143 -4.882 -2.443 718 HA GLU 94 HA GLU 94 9.010 -3.265 -1.337 719 1HB GLU 94 HB2 GLU 94 11.584 -4.157 0.005 720 2HB GLU 94 HB1 GLU 94 10.227 -3.353 0.756 721 1HG GLU 94 HG2 GLU 94 8.948 -5.453 -0.181 722 2HG GLU 94 HG1 GLU 94 10.548 -6.171 0.021 723 H GLN 95 H GLN 95 9.341 -1.138 -0.969 724 HA GLN 95 HA GLN 95 11.769 -0.050 -2.208 725 1HB GLN 95 HB2 GLN 95 9.506 0.188 -3.452 726 2HB GLN 95 HB1 GLN 95 9.085 1.336 -2.185 727 1HG GLN 95 HG2 GLN 95 10.874 2.758 -2.763 728 2HG GLN 95 HG1 GLN 95 11.552 1.545 -3.844 729 1HE2 GLN 95 HE21 GLN 95 9.127 4.033 -3.393 730 2HE2 GLN 95 HE22 GLN 95 8.691 4.128 -5.051 731 H THR 96 H THR 96 13.049 0.889 -0.716 732 HA THR 96 HA THR 96 11.794 1.973 1.744 733 HB THR 96 HB THR 96 14.640 1.546 1.997 734 HG1 THR 96 HG1 THR 96 13.056 -0.424 0.837 735 1HG2 THR 96 HG21 THR 96 12.226 0.305 3.341 736 2HG2 THR 96 HG22 THR 96 13.054 1.742 3.868 737 3HG2 THR 96 HG23 THR 96 13.882 0.178 3.923 738 H ILE 97 H ILE 97 12.960 3.816 2.714 739 HA ILE 97 HA ILE 97 14.061 5.595 0.623 740 HB ILE 97 HB ILE 97 13.004 6.435 3.335 741 1HG1 ILE 97 HG12 ILE 97 11.374 6.483 0.842 742 2HG1 ILE 97 HG11 ILE 97 11.391 5.019 1.806 743 1HG2 ILE 97 HG21 ILE 97 12.757 8.551 2.198 744 2HG2 ILE 97 HG22 ILE 97 13.072 7.814 0.627 745 3HG2 ILE 97 HG23 ILE 97 14.374 7.971 1.798 746 1HD1 ILE 97 HD11 ILE 97 9.538 6.094 2.465 747 2HD1 ILE 97 HD12 ILE 97 10.226 7.689 2.375 748 3HD1 ILE 97 HD13 ILE 97 10.668 6.590 3.723 749 H ASN 98 H ASN 98 15.823 6.875 1.226 750 HA ASN 98 HA ASN 98 17.583 5.593 3.176 751 1HB ASN 98 HB2 ASN 98 19.339 7.046 2.000 752 2HB ASN 98 HB1 ASN 98 18.657 5.713 1.070 753 1HD2 ASN 98 HD21 ASN 98 17.090 8.882 1.660 754 2HD2 ASN 98 HD22 ASN 98 17.109 9.348 0.037 755 H ASP 99 H ASP 99 15.360 7.652 3.628 756 HA ASP 99 HA ASP 99 16.884 9.400 5.410 757 1HB ASP 99 HB2 ASP 99 16.816 10.373 3.072 758 2HB ASP 99 HB1 ASP 99 15.111 10.601 3.335 759 H LEU 100 H LEU 100 13.768 9.168 3.778 760 HA LEU 100 HA LEU 100 12.226 10.192 5.964 761 1HB LEU 100 HB2 LEU 100 11.225 8.833 3.459 762 2HB LEU 100 HB1 LEU 100 10.450 9.998 4.499 763 HG LEU 100 HG LEU 100 12.933 10.888 3.159 764 1HD1 LEU 100 HD11 LEU 100 11.462 11.594 1.236 765 2HD1 LEU 100 HD12 LEU 100 10.302 10.367 1.796 766 3HD1 LEU 100 HD13 LEU 100 11.924 9.917 1.272 767 1HD2 LEU 100 HD21 LEU 100 10.273 12.125 3.657 768 2HD2 LEU 100 HD22 LEU 100 11.726 12.946 3.106 769 3HD2 LEU 100 HD23 LEU 100 11.661 12.266 4.749 770 H THR 101 H THR 101 13.734 7.501 5.896 771 HA THR 101 HA THR 101 12.103 5.312 6.177 772 HB THR 101 HB THR 101 14.596 5.937 7.740 773 HG1 THR 101 HG1 THR 101 14.476 5.031 5.069 774 1HG2 THR 101 HG21 THR 101 13.675 3.429 6.316 775 2HG2 THR 101 HG22 THR 101 13.507 3.704 8.050 776 3HG2 THR 101 HG23 THR 101 15.113 3.588 7.324 777 H PHE 102 H PHE 102 12.995 7.934 8.296 778 HA PHE 102 HA PHE 102 11.541 6.761 10.573 779 1HB PHE 102 HB2 PHE 102 13.575 9.007 10.560 780 2HB PHE 102 HB1 PHE 102 12.819 8.290 11.981 781 HD1 PHE 102 HD1 PHE 102 13.504 6.099 12.770 782 HD2 PHE 102 HD2 PHE 102 15.350 7.879 9.376 783 HE1 PHE 102 HE1 PHE 102 15.336 4.470 12.911 784 HE2 PHE 102 HE2 PHE 102 17.183 6.254 9.510 785 HZ PHE 102 HZ PHE 102 17.177 4.542 11.280 Start of MODEL 7 1 HA MET 1 HA MET 1 -14.227 11.991 16.274 2 1HB MET 1 HB2 MET 1 -14.515 12.010 19.282 3 2HB MET 1 HB1 MET 1 -14.628 10.564 18.293 4 1HG MET 1 HG2 MET 1 -12.213 12.343 18.481 5 2HG MET 1 HG1 MET 1 -12.429 10.829 19.359 6 1HE MET 1 HE1 MET 1 -10.102 9.979 18.413 7 2HE MET 1 HE2 MET 1 -9.894 11.487 17.523 8 3HE MET 1 HE3 MET 1 -9.694 9.943 16.699 9 H ALA 2 H ALA 2 -16.043 12.704 15.088 10 HA ALA 2 HA ALA 2 -18.499 11.616 16.006 11 1HB ALA 2 HB1 ALA 2 -19.809 13.694 15.757 12 2HB ALA 2 HB2 ALA 2 -18.318 14.607 15.538 13 3HB ALA 2 HB3 ALA 2 -18.657 13.827 17.086 14 H HIS 3 H HIS 3 -20.075 11.713 14.225 15 HA HIS 3 HA HIS 3 -20.764 11.592 12.103 16 1HB HIS 3 HB2 HIS 3 -19.959 13.898 11.777 17 2HB HIS 3 HB1 HIS 3 -18.338 13.312 11.458 18 HD1 HIS 3 HD1 HIS 3 -21.585 14.058 9.801 19 HD2 HIS 3 HD2 HIS 3 -18.022 12.120 8.890 20 HE1 HIS 3 HE1 HIS 3 -21.534 13.838 7.305 21 H HIS 4 H HIS 4 -17.249 11.374 11.964 22 HA HIS 4 HA HIS 4 -15.807 9.894 11.240 23 1HB HIS 4 HB2 HIS 4 -18.007 7.873 11.738 24 2HB HIS 4 HB1 HIS 4 -16.348 7.432 11.328 25 HD1 HIS 4 HD1 HIS 4 -14.543 7.725 13.222 26 HD2 HIS 4 HD2 HIS 4 -18.374 8.921 14.298 27 HE1 HIS 4 HE1 HIS 4 -14.475 8.127 15.694 28 H HIS 5 H HIS 5 -14.944 9.020 9.491 29 HA HIS 5 HA HIS 5 -14.469 9.078 7.329 30 1HB HIS 5 HB2 HIS 5 -16.425 7.387 7.118 31 2HB HIS 5 HB1 HIS 5 -17.436 8.765 6.716 32 HD1 HIS 5 HD1 HIS 5 -14.897 6.450 5.297 33 HD2 HIS 5 HD2 HIS 5 -16.955 9.871 4.160 34 HE1 HIS 5 HE1 HIS 5 -14.637 6.628 2.794 35 H HIS 6 H HIS 6 -13.798 11.006 7.555 36 HA HIS 6 HA HIS 6 -15.586 13.272 7.839 37 1HB HIS 6 HB2 HIS 6 -12.572 13.128 8.083 38 2HB HIS 6 HB1 HIS 6 -13.620 14.425 8.642 39 HD1 HIS 6 HD1 HIS 6 -11.894 11.521 9.910 40 HD2 HIS 6 HD2 HIS 6 -15.538 13.370 10.700 41 HE1 HIS 6 HE1 HIS 6 -12.653 10.654 12.144 42 H HIS 7 H HIS 7 -14.047 15.331 6.883 43 HA HIS 7 HA HIS 7 -14.460 15.022 4.056 44 1HB HIS 7 HB2 HIS 7 -15.046 17.137 5.352 45 2HB HIS 7 HB1 HIS 7 -13.324 17.436 5.505 46 HD1 HIS 7 HD1 HIS 7 -15.869 16.960 2.688 47 HD2 HIS 7 HD2 HIS 7 -12.308 18.928 3.523 48 HE1 HIS 7 HE1 HIS 7 -15.329 18.315 0.655 49 H HIS 8 H HIS 8 -11.980 14.497 6.199 50 HA HIS 8 HA HIS 8 -9.833 14.745 4.276 51 1HB HIS 8 HB2 HIS 8 -9.955 13.840 7.133 52 2HB HIS 8 HB1 HIS 8 -8.569 13.394 6.147 53 HD1 HIS 8 HD1 HIS 8 -6.985 15.310 5.404 54 HD2 HIS 8 HD2 HIS 8 -10.072 16.505 7.908 55 HE1 HIS 8 HE1 HIS 8 -6.365 17.614 6.217 56 H ASN 9 H ASN 9 -12.262 12.879 4.184 57 HA ASN 9 HA ASN 9 -10.797 10.496 3.330 58 1HB ASN 9 HB2 ASN 9 -13.608 10.797 4.423 59 2HB ASN 9 HB1 ASN 9 -13.047 9.336 3.628 60 1HD2 ASN 9 HD21 ASN 9 -11.644 8.014 4.693 61 2HD2 ASN 9 HD22 ASN 9 -11.276 8.176 6.379 62 H GLN 10 H GLN 10 -10.688 10.413 1.166 63 HA GLN 10 HA GLN 10 -12.529 12.014 -0.437 64 1HB GLN 10 HB2 GLN 10 -10.213 10.281 -1.310 65 2HB GLN 10 HB1 GLN 10 -11.104 11.401 -2.316 66 1HG GLN 10 HG2 GLN 10 -10.218 13.269 -1.046 67 2HG GLN 10 HG1 GLN 10 -9.376 12.148 0.030 68 1HE2 GLN 10 HE21 GLN 10 -7.380 13.004 -0.516 69 2HE2 GLN 10 HE22 GLN 10 -6.608 12.705 -2.023 70 H GLN 11 H GLN 11 -12.359 8.921 0.799 71 HA GLN 11 HA GLN 11 -13.004 6.828 0.267 72 1HB GLN 11 HB2 GLN 11 -15.382 6.560 -0.418 73 2HB GLN 11 HB1 GLN 11 -15.214 7.776 0.825 74 1HG GLN 11 HG2 GLN 11 -15.434 9.517 -0.934 75 2HG GLN 11 HG1 GLN 11 -15.697 8.238 -2.115 76 1HE2 GLN 11 HE21 GLN 11 -17.749 8.933 -2.613 77 2HE2 GLN 11 HE22 GLN 11 -19.079 8.745 -1.528 78 H ASN 12 H ASN 12 -11.157 7.564 -1.320 79 HA ASN 12 HA ASN 12 -11.957 7.117 -4.105 80 1HB ASN 12 HB2 ASN 12 -10.903 9.265 -3.591 81 2HB ASN 12 HB1 ASN 12 -9.539 8.439 -2.869 82 1HD2 ASN 12 HD21 ASN 12 -8.218 9.597 -4.227 83 2HD2 ASN 12 HD22 ASN 12 -8.037 9.221 -5.906 84 H LYS 13 H LYS 13 -10.895 5.611 -5.335 85 HA LYS 13 HA LYS 13 -9.806 3.386 -3.892 86 1HB LYS 13 HB2 LYS 13 -10.062 3.822 -6.868 87 2HB LYS 13 HB1 LYS 13 -9.575 2.324 -6.102 88 1HG LYS 13 HG2 LYS 13 -11.754 2.211 -4.970 89 2HG LYS 13 HG1 LYS 13 -12.237 3.678 -5.829 90 1HD LYS 13 HD2 LYS 13 -11.952 2.554 -7.954 91 2HD LYS 13 HD1 LYS 13 -11.410 1.092 -7.128 92 1HE LYS 13 HE2 LYS 13 -13.588 0.956 -5.996 93 2HE LYS 13 HE1 LYS 13 -14.116 2.384 -6.883 94 1HZ LYS 13 HZ1 LYS 13 -14.895 0.359 -7.884 95 2HZ LYS 13 HZ2 LYS 13 -13.322 -0.203 -8.086 96 3HZ LYS 13 HZ3 LYS 13 -13.860 1.175 -8.936 97 H LYS 14 H LYS 14 -8.606 6.041 -5.720 98 HA LYS 14 HA LYS 14 -5.930 5.042 -5.940 99 1HB LYS 14 HB2 LYS 14 -6.574 6.696 -7.560 100 2HB LYS 14 HB1 LYS 14 -7.160 7.783 -6.316 101 1HG LYS 14 HG2 LYS 14 -5.079 8.613 -7.236 102 2HG LYS 14 HG1 LYS 14 -4.845 8.139 -5.557 103 1HD LYS 14 HD2 LYS 14 -3.966 5.941 -6.409 104 2HD LYS 14 HD1 LYS 14 -4.012 6.639 -8.028 105 1HE LYS 14 HE2 LYS 14 -2.493 7.802 -5.705 106 2HE LYS 14 HE1 LYS 14 -1.775 6.766 -6.939 107 1HZ LYS 14 HZ1 LYS 14 -2.246 8.449 -8.565 108 2HZ LYS 14 HZ2 LYS 14 -1.389 9.102 -7.257 109 3HZ LYS 14 HZ3 LYS 14 -3.024 9.430 -7.425 110 H VAL 15 H VAL 15 -4.513 4.967 -4.393 111 HA VAL 15 HA VAL 15 -4.706 5.248 -1.813 112 HB VAL 15 HB VAL 15 -2.650 4.613 -3.359 113 1HG1 VAL 15 HG11 VAL 15 -2.022 6.694 -4.186 114 2HG1 VAL 15 HG12 VAL 15 -0.735 6.134 -3.086 115 3HG1 VAL 15 HG13 VAL 15 -1.903 7.350 -2.556 116 1HG2 VAL 15 HG21 VAL 15 -2.813 3.999 -1.048 117 2HG2 VAL 15 HG22 VAL 15 -2.327 5.617 -0.570 118 3HG2 VAL 15 HG23 VAL 15 -1.170 4.563 -1.395 119 H GLU 16 H GLU 16 -5.346 6.826 -0.424 120 HA GLU 16 HA GLU 16 -5.117 9.625 -1.249 121 1HB GLU 16 HB2 GLU 16 -6.506 8.490 1.162 122 2HB GLU 16 HB1 GLU 16 -6.686 10.092 0.461 123 1HG GLU 16 HG2 GLU 16 -7.698 9.115 -1.506 124 2HG GLU 16 HG1 GLU 16 -7.462 7.516 -0.795 125 H GLY 17 H GLY 17 -4.888 8.159 1.946 126 1HA GLY 17 HA2 GLY 17 -2.237 9.363 2.202 127 2HA GLY 17 HA1 GLY 17 -3.511 9.993 3.254 128 H GLY 18 H GLY 18 -3.806 6.782 2.501 129 1HA GLY 18 HA2 GLY 18 -2.473 6.047 5.006 130 2HA GLY 18 HA1 GLY 18 -4.100 5.481 4.643 131 H TYR 19 H TYR 19 -3.611 3.321 4.663 132 HA TYR 19 HA TYR 19 -1.631 2.447 2.694 133 1HB TYR 19 HB2 TYR 19 -2.744 0.897 5.016 134 2HB TYR 19 HB1 TYR 19 -1.299 0.527 4.065 135 HD1 TYR 19 HD1 TYR 19 0.409 2.664 4.013 136 HD2 TYR 19 HD2 TYR 19 -2.319 1.723 7.143 137 HE1 TYR 19 HE1 TYR 19 1.711 4.045 5.565 138 HE2 TYR 19 HE2 TYR 19 -1.050 3.083 8.679 139 HH TYR 19 HH TYR 19 1.200 5.299 7.629 140 H GLU 20 H GLU 20 -2.447 1.986 0.935 141 HA GLU 20 HA GLU 20 -5.114 0.881 0.580 142 1HB GLU 20 HB2 GLU 20 -4.313 2.691 -0.864 143 2HB GLU 20 HB1 GLU 20 -2.889 1.753 -1.292 144 1HG GLU 20 HG2 GLU 20 -4.631 0.057 -2.188 145 2HG GLU 20 HG1 GLU 20 -5.723 1.434 -2.155 146 H CYS 21 H CYS 21 -5.191 -1.310 0.639 147 HA CYS 21 HA CYS 21 -2.828 -2.925 0.625 148 1HB CYS 21 HB2 CYS 21 -5.680 -3.809 0.296 149 2HB CYS 21 HB1 CYS 21 -4.307 -4.855 0.572 150 H LYS 22 H LYS 22 -2.091 -4.286 -0.866 151 HA LYS 22 HA LYS 22 -2.598 -3.964 -3.633 152 1HB LYS 22 HB2 LYS 22 -0.456 -4.649 -2.649 153 2HB LYS 22 HB1 LYS 22 -1.190 -6.131 -2.069 154 1HG LYS 22 HG2 LYS 22 -1.201 -5.487 -4.975 155 2HG LYS 22 HG1 LYS 22 0.254 -6.130 -4.216 156 1HD LYS 22 HD2 LYS 22 -0.956 -8.076 -3.479 157 2HD LYS 22 HD1 LYS 22 -2.465 -7.419 -4.121 158 1HE LYS 22 HE2 LYS 22 -0.025 -7.932 -5.732 159 2HE LYS 22 HE1 LYS 22 -1.332 -9.123 -5.555 160 1HZ LYS 22 HZ1 LYS 22 -1.540 -7.849 -7.599 161 2HZ LYS 22 HZ2 LYS 22 -1.528 -6.399 -6.782 162 3HZ LYS 22 HZ3 LYS 22 -2.821 -7.467 -6.587 163 H TYR 23 H TYR 23 -3.971 -5.966 -1.128 164 HA TYR 23 HA TYR 23 -5.163 -7.664 -3.165 165 1HB TYR 23 HB2 TYR 23 -5.597 -8.582 -0.453 166 2HB TYR 23 HB1 TYR 23 -4.878 -9.417 -1.814 167 HD1 TYR 23 HD1 TYR 23 -2.358 -9.195 -2.187 168 HD2 TYR 23 HD2 TYR 23 -4.297 -7.705 1.272 169 HE1 TYR 23 HE1 TYR 23 -0.200 -9.167 -0.984 170 HE2 TYR 23 HE2 TYR 23 -2.185 -7.664 2.476 171 HH TYR 23 HH TYR 23 -0.006 -8.925 2.333 172 H CYS 24 H CYS 24 -6.005 -4.949 -1.658 173 HA CYS 24 HA CYS 24 -8.731 -5.442 -2.152 174 1HB CYS 24 HB2 CYS 24 -9.673 -4.998 0.072 175 2HB CYS 24 HB1 CYS 24 -8.532 -6.330 0.146 176 H THR 25 H THR 25 -9.599 -3.621 -2.912 177 HA THR 25 HA THR 25 -7.845 -1.338 -2.896 178 HB THR 25 HB THR 25 -10.455 -1.673 -4.409 179 HG1 THR 25 HG1 THR 25 -8.280 -3.072 -4.617 180 1HG2 THR 25 HG21 THR 25 -9.574 0.639 -4.273 181 2HG2 THR 25 HG22 THR 25 -9.453 -0.001 -5.915 182 3HG2 THR 25 HG23 THR 25 -8.020 0.073 -4.890 183 H PHE 26 H PHE 26 -8.310 -1.311 -0.594 184 HA PHE 26 HA PHE 26 -10.271 0.716 0.031 185 1HB PHE 26 HB2 PHE 26 -9.930 -1.877 1.596 186 2HB PHE 26 HB1 PHE 26 -10.775 -0.466 2.205 187 HD1 PHE 26 HD1 PHE 26 -12.891 0.264 1.063 188 HD2 PHE 26 HD2 PHE 26 -10.996 -3.446 0.206 189 HE1 PHE 26 HE1 PHE 26 -14.983 -0.572 0.079 190 HE2 PHE 26 HE2 PHE 26 -13.083 -4.289 -0.782 191 HZ PHE 26 HZ PHE 26 -15.081 -2.850 -0.846 192 H GLN 27 H GLN 27 -9.527 1.897 1.907 193 HA GLN 27 HA GLN 27 -6.732 1.368 2.464 194 1HB GLN 27 HB2 GLN 27 -6.572 2.948 0.757 195 2HB GLN 27 HB1 GLN 27 -7.891 3.927 1.404 196 1HG GLN 27 HG2 GLN 27 -6.518 4.630 3.225 197 2HG GLN 27 HG1 GLN 27 -5.260 3.489 2.763 198 1HE2 GLN 27 HE21 GLN 27 -4.037 3.925 1.175 199 2HE2 GLN 27 HE22 GLN 27 -3.845 5.440 0.378 200 H THR 28 H THR 28 -6.017 1.945 4.439 201 HA THR 28 HA THR 28 -7.580 3.750 6.020 202 HB THR 28 HB THR 28 -8.394 1.570 6.842 203 HG1 THR 28 HG1 THR 28 -8.343 2.764 8.591 204 1HG2 THR 28 HG21 THR 28 -6.876 -0.079 7.877 205 2HG2 THR 28 HG22 THR 28 -5.499 0.924 7.483 206 3HG2 THR 28 HG23 THR 28 -6.433 0.176 6.190 207 HA PRO 29 HA PRO 29 -3.345 5.115 6.579 208 1HB PRO 29 HB2 PRO 29 -3.942 7.292 8.108 209 2HB PRO 29 HB1 PRO 29 -4.082 7.267 6.347 210 1HG PRO 29 HG2 PRO 29 -6.197 6.955 8.412 211 2HG PRO 29 HG1 PRO 29 -6.245 7.832 6.871 212 1HD PRO 29 HD2 PRO 29 -7.359 5.367 7.215 213 2HD PRO 29 HD1 PRO 29 -6.695 5.916 5.655 214 H ASP 30 H ASP 30 -5.407 3.768 8.800 215 HA ASP 30 HA ASP 30 -3.623 4.136 11.068 216 1HB ASP 30 HB2 ASP 30 -6.170 2.518 10.776 217 2HB ASP 30 HB1 ASP 30 -5.259 2.713 12.261 218 H LEU 31 H LEU 31 -1.831 2.925 10.913 219 HA LEU 31 HA LEU 31 -1.435 0.714 9.354 220 1HB LEU 31 HB2 LEU 31 0.150 2.241 10.745 221 2HB LEU 31 HB1 LEU 31 -0.058 1.046 12.003 222 HG LEU 31 HG LEU 31 2.021 0.576 10.873 223 1HD1 LEU 31 HD11 LEU 31 -0.059 -1.300 9.900 224 2HD1 LEU 31 HD12 LEU 31 0.782 -1.414 11.457 225 3HD1 LEU 31 HD13 LEU 31 1.669 -1.658 9.933 226 1HD2 LEU 31 HD21 LEU 31 1.562 1.804 8.863 227 2HD2 LEU 31 HD22 LEU 31 0.428 0.569 8.351 228 3HD2 LEU 31 HD23 LEU 31 2.159 0.181 8.471 229 H ASN 32 H ASN 32 -2.506 0.966 12.728 230 HA ASN 32 HA ASN 32 -2.521 -1.677 13.502 231 1HB ASN 32 HB2 ASN 32 -3.096 0.343 14.963 232 2HB ASN 32 HB1 ASN 32 -4.627 0.316 14.070 233 1HD2 ASN 32 HD21 ASN 32 -3.355 -2.783 14.785 234 2HD2 ASN 32 HD22 ASN 32 -4.513 -3.056 16.023 235 H MET 33 H MET 33 -5.041 0.205 11.901 236 HA MET 33 HA MET 33 -6.848 -1.983 11.876 237 1HB MET 33 HB2 MET 33 -6.972 0.550 10.232 238 2HB MET 33 HB1 MET 33 -8.293 -0.573 10.480 239 1HG MET 33 HG2 MET 33 -6.916 1.014 12.580 240 2HG MET 33 HG1 MET 33 -8.474 1.446 11.865 241 1HE MET 33 HE1 MET 33 -10.690 -0.102 12.195 242 2HE MET 33 HE2 MET 33 -10.717 -1.568 13.174 243 3HE MET 33 HE3 MET 33 -9.810 -1.537 11.664 244 H PHE 34 H PHE 34 -4.497 -0.626 9.756 245 HA PHE 34 HA PHE 34 -5.189 -2.000 7.399 246 1HB PHE 34 HB2 PHE 34 -3.673 -0.157 7.224 247 2HB PHE 34 HB1 PHE 34 -2.573 -0.842 8.391 248 HD1 PHE 34 HD1 PHE 34 -3.965 -1.371 4.981 249 HD2 PHE 34 HD2 PHE 34 -0.800 -2.192 7.707 250 HE1 PHE 34 HE1 PHE 34 -2.665 -2.394 3.158 251 HE2 PHE 34 HE2 PHE 34 0.512 -3.209 5.883 252 HZ PHE 34 HZ PHE 34 -0.428 -3.311 3.605 253 H THR 35 H THR 35 -2.746 -2.733 9.841 254 HA THR 35 HA THR 35 -2.138 -5.222 8.629 255 HB THR 35 HB THR 35 -0.402 -4.110 9.940 256 HG1 THR 35 HG1 THR 35 -1.047 -6.672 10.198 257 1HG2 THR 35 HG21 THR 35 -0.520 -3.999 12.387 258 2HG2 THR 35 HG22 THR 35 -2.170 -4.644 12.322 259 3HG2 THR 35 HG23 THR 35 -1.799 -3.072 11.605 260 H PHE 36 H PHE 36 -4.449 -4.236 11.001 261 HA PHE 36 HA PHE 36 -4.989 -6.825 11.962 262 1HB PHE 36 HB2 PHE 36 -5.634 -5.132 13.392 263 2HB PHE 36 HB1 PHE 36 -6.417 -4.179 12.150 264 HD1 PHE 36 HD1 PHE 36 -8.708 -4.123 12.333 265 HD2 PHE 36 HD2 PHE 36 -6.686 -7.641 13.573 266 HE1 PHE 36 HE1 PHE 36 -10.865 -5.123 12.986 267 HE2 PHE 36 HE2 PHE 36 -8.830 -8.648 14.252 268 HZ PHE 36 HZ PHE 36 -10.924 -7.390 13.952 269 H HIS 37 H HIS 37 -6.666 -4.777 9.541 270 HA HIS 37 HA HIS 37 -8.497 -6.869 9.001 271 1HB HIS 37 HB2 HIS 37 -9.526 -5.473 7.403 272 2HB HIS 37 HB1 HIS 37 -8.778 -4.328 8.505 273 HD1 HIS 37 HD1 HIS 37 -7.320 -2.572 7.414 274 HD2 HIS 37 HD2 HIS 37 -8.078 -5.808 4.935 275 HE1 HIS 37 HE1 HIS 37 -6.470 -1.902 5.127 276 H VAL 38 H VAL 38 -5.386 -6.060 7.855 277 HA VAL 38 HA VAL 38 -5.406 -7.742 5.571 278 HB VAL 38 HB VAL 38 -3.147 -6.601 7.212 279 1HG1 VAL 38 HG11 VAL 38 -1.578 -7.403 5.474 280 2HG1 VAL 38 HG12 VAL 38 -2.908 -8.264 4.692 281 3HG1 VAL 38 HG13 VAL 38 -2.376 -8.742 6.304 282 1HG2 VAL 38 HG21 VAL 38 -2.706 -5.292 5.172 283 2HG2 VAL 38 HG22 VAL 38 -4.316 -5.023 5.833 284 3HG2 VAL 38 HG23 VAL 38 -4.113 -6.038 4.410 285 H ASP 39 H ASP 39 -4.147 -8.164 8.869 286 HA ASP 39 HA ASP 39 -3.238 -10.793 8.531 287 1HB ASP 39 HB2 ASP 39 -2.653 -9.216 10.394 288 2HB ASP 39 HB1 ASP 39 -4.245 -9.501 11.068 289 H SER 40 H SER 40 -6.365 -9.508 9.106 290 HA SER 40 HA SER 40 -7.477 -12.050 9.894 291 1HB SER 40 HB2 SER 40 -8.222 -9.862 10.869 292 2HB SER 40 HB1 SER 40 -8.891 -9.444 9.303 293 HG SER 40 HG SER 40 -10.229 -11.313 9.474 294 H GLU 41 H GLU 41 -7.609 -9.915 7.035 295 HA GLU 41 HA GLU 41 -9.456 -11.813 5.751 296 1HB GLU 41 HB2 GLU 41 -8.644 -9.042 4.884 297 2HB GLU 41 HB1 GLU 41 -9.821 -10.058 4.064 298 1HG GLU 41 HG2 GLU 41 -11.255 -10.003 6.022 299 2HG GLU 41 HG1 GLU 41 -10.060 -9.027 6.879 300 H HIS 42 H HIS 42 -6.281 -10.352 5.190 301 HA HIS 42 HA HIS 42 -5.715 -12.333 3.192 302 1HB HIS 42 HB2 HIS 42 -4.556 -10.182 2.107 303 2HB HIS 42 HB1 HIS 42 -6.062 -10.801 1.470 304 HD1 HIS 42 HD1 HIS 42 -8.156 -9.240 1.944 305 HD2 HIS 42 HD2 HIS 42 -4.582 -7.727 3.415 306 HE1 HIS 42 HE1 HIS 42 -8.613 -6.860 2.487 307 HA PRO 43 HA PRO 43 -2.454 -11.299 6.404 308 1HB PRO 43 HB2 PRO 43 -1.810 -13.908 6.987 309 2HB PRO 43 HB1 PRO 43 -3.079 -12.992 7.813 310 1HG PRO 43 HG2 PRO 43 -3.340 -14.959 5.576 311 2HG PRO 43 HG1 PRO 43 -4.317 -14.799 7.049 312 1HD PRO 43 HD2 PRO 43 -5.167 -13.835 4.690 313 2HD PRO 43 HD1 PRO 43 -5.501 -12.994 6.220 314 H ASN 44 H ASN 44 -2.443 -13.790 3.935 315 HA ASN 44 HA ASN 44 -0.129 -12.609 2.792 316 1HB ASN 44 HB2 ASN 44 1.110 -14.693 2.511 317 2HB ASN 44 HB1 ASN 44 0.863 -14.405 4.230 318 1HD2 ASN 44 HD21 ASN 44 -0.492 -15.712 5.309 319 2HD2 ASN 44 HD22 ASN 44 -1.044 -17.238 4.720 320 H VAL 45 H VAL 45 -0.190 -12.844 0.606 321 HA VAL 45 HA VAL 45 -2.262 -14.474 -0.612 322 HB VAL 45 HB VAL 45 -1.782 -11.500 -1.154 323 1HG1 VAL 45 HG11 VAL 45 -3.732 -11.579 -2.559 324 2HG1 VAL 45 HG12 VAL 45 -3.923 -13.297 -2.252 325 3HG1 VAL 45 HG13 VAL 45 -2.512 -12.713 -3.164 326 1HG2 VAL 45 HG21 VAL 45 -4.001 -11.097 -0.272 327 2HG2 VAL 45 HG22 VAL 45 -2.897 -11.785 0.931 328 3HG2 VAL 45 HG23 VAL 45 -4.123 -12.808 0.169 329 H VAL 46 H VAL 46 -1.515 -14.941 -2.828 330 HA VAL 46 HA VAL 46 1.091 -13.889 -3.215 331 HB VAL 46 HB VAL 46 1.616 -15.942 -2.135 332 1HG1 VAL 46 HG11 VAL 46 0.948 -18.154 -2.944 333 2HG1 VAL 46 HG12 VAL 46 -0.073 -17.385 -4.161 334 3HG1 VAL 46 HG13 VAL 46 -0.432 -17.170 -2.449 335 1HG2 VAL 46 HG21 VAL 46 3.131 -15.376 -3.947 336 2HG2 VAL 46 HG22 VAL 46 2.131 -16.266 -5.095 337 3HG2 VAL 46 HG23 VAL 46 2.980 -17.129 -3.814 338 H LEU 47 H LEU 47 0.725 -12.714 -4.942 339 HA LEU 47 HA LEU 47 -0.285 -14.131 -7.284 340 1HB LEU 47 HB2 LEU 47 -0.206 -11.135 -6.859 341 2HB LEU 47 HB1 LEU 47 -0.760 -11.925 -8.322 342 HG LEU 47 HG LEU 47 -2.081 -11.997 -5.607 343 1HD1 LEU 47 HD11 LEU 47 -3.920 -10.924 -6.724 344 2HD1 LEU 47 HD12 LEU 47 -3.043 -10.970 -8.250 345 3HD1 LEU 47 HD13 LEU 47 -2.450 -9.967 -6.931 346 1HD2 LEU 47 HD21 LEU 47 -2.839 -13.482 -8.118 347 2HD2 LEU 47 HD22 LEU 47 -3.839 -13.332 -6.677 348 3HD2 LEU 47 HD23 LEU 47 -2.305 -14.194 -6.590 349 H ASN 48 H ASN 48 1.716 -11.172 -7.403 350 HA ASN 48 HA ASN 48 4.080 -12.668 -7.636 351 1HB ASN 48 HB2 ASN 48 3.224 -13.172 -9.911 352 2HB ASN 48 HB1 ASN 48 3.190 -11.448 -10.262 353 1HD2 ASN 48 HD21 ASN 48 4.706 -11.589 -11.922 354 2HD2 ASN 48 HD22 ASN 48 6.367 -11.903 -11.625 355 H SER 49 H SER 49 3.511 -9.682 -9.507 356 HA SER 49 HA SER 49 5.572 -8.574 -7.791 357 1HB SER 49 HB2 SER 49 5.942 -7.024 -9.763 358 2HB SER 49 HB1 SER 49 6.348 -8.721 -10.017 359 HG SER 49 HG SER 49 5.112 -8.548 -11.664 360 H SER 50 H SER 50 5.146 -6.930 -6.485 361 HA SER 50 HA SER 50 3.364 -4.831 -7.144 362 1HB SER 50 HB2 SER 50 3.020 -6.564 -4.682 363 2HB SER 50 HB1 SER 50 2.177 -5.062 -5.045 364 HG SER 50 HG SER 50 1.955 -6.775 -7.085 365 H TYR 51 H TYR 51 3.669 -3.194 -5.266 366 HA TYR 51 HA TYR 51 6.443 -3.409 -4.336 367 1HB TYR 51 HB2 TYR 51 4.840 -1.095 -5.301 368 2HB TYR 51 HB1 TYR 51 6.220 -0.862 -4.251 369 HD1 TYR 51 HD1 TYR 51 7.163 0.604 -5.893 370 HD2 TYR 51 HD2 TYR 51 6.399 -3.458 -6.851 371 HE1 TYR 51 HE1 TYR 51 8.590 0.816 -7.885 372 HE2 TYR 51 HE2 TYR 51 7.819 -3.262 -8.846 373 HH TYR 51 HH TYR 51 9.854 -0.579 -9.348 374 H VAL 52 H VAL 52 6.870 -2.741 -2.290 375 HA VAL 52 HA VAL 52 4.598 -1.965 -0.610 376 HB VAL 52 HB VAL 52 5.076 -4.372 -0.262 377 1HG1 VAL 52 HG11 VAL 52 7.422 -4.392 -0.784 378 2HG1 VAL 52 HG12 VAL 52 7.104 -5.109 0.789 379 3HG1 VAL 52 HG13 VAL 52 7.767 -3.475 0.688 380 1HG2 VAL 52 HG21 VAL 52 5.386 -4.407 2.153 381 2HG2 VAL 52 HG22 VAL 52 4.229 -3.186 1.632 382 3HG2 VAL 52 HG23 VAL 52 5.865 -2.708 2.104 383 H CYS 53 H CYS 53 5.027 -0.330 0.728 384 HA CYS 53 HA CYS 53 7.649 0.962 0.656 385 1HB CYS 53 HB2 CYS 53 5.712 2.369 0.755 386 2HB CYS 53 HB1 CYS 53 5.054 1.517 2.139 387 H VAL 54 H VAL 54 9.116 -0.399 1.652 388 HA VAL 54 HA VAL 54 8.659 -2.115 3.753 389 HB VAL 54 HB VAL 54 11.269 -0.948 4.071 390 1HG1 VAL 54 HG11 VAL 54 12.036 -3.088 3.493 391 2HG1 VAL 54 HG12 VAL 54 10.470 -3.481 2.800 392 3HG1 VAL 54 HG13 VAL 54 10.624 -3.264 4.572 393 1HG2 VAL 54 HG21 VAL 54 10.458 -1.557 1.252 394 2HG2 VAL 54 HG22 VAL 54 12.131 -1.493 1.794 395 3HG2 VAL 54 HG23 VAL 54 11.106 -0.060 1.893 396 H GLU 55 H GLU 55 9.181 1.267 3.735 397 HA GLU 55 HA GLU 55 9.897 1.813 6.366 398 1HB GLU 55 HB2 GLU 55 8.141 3.498 4.587 399 2HB GLU 55 HB1 GLU 55 9.117 4.070 5.925 400 1HG GLU 55 HG2 GLU 55 10.211 2.852 3.395 401 2HG GLU 55 HG1 GLU 55 10.062 4.578 3.701 402 H CYS 56 H CYS 56 6.835 1.425 4.843 403 HA CYS 56 HA CYS 56 5.411 1.774 7.466 404 1HB CYS 56 HB2 CYS 56 4.171 1.482 4.750 405 2HB CYS 56 HB1 CYS 56 3.421 2.134 6.201 406 H ASN 57 H ASN 57 6.443 -0.505 5.274 407 HA ASN 57 HA ASN 57 5.891 -2.422 4.446 408 1HB ASN 57 HB2 ASN 57 6.428 -2.938 6.950 409 2HB ASN 57 HB1 ASN 57 4.770 -3.469 6.997 410 1HD2 ASN 57 HD21 ASN 57 7.635 -3.816 5.471 411 2HD2 ASN 57 HD22 ASN 57 7.398 -5.446 4.930 412 H PHE 58 H PHE 58 4.405 -1.239 3.293 413 HA PHE 58 HA PHE 58 1.842 -2.444 3.718 414 1HB PHE 58 HB2 PHE 58 0.564 -0.542 3.806 415 2HB PHE 58 HB1 PHE 58 2.073 0.197 4.296 416 HD1 PHE 58 HD1 PHE 58 3.238 1.701 2.773 417 HD2 PHE 58 HD2 PHE 58 -0.380 -0.147 1.651 418 HE1 PHE 58 HE1 PHE 58 2.992 3.342 0.878 419 HE2 PHE 58 HE2 PHE 58 -0.648 1.517 -0.224 420 HZ PHE 58 HZ PHE 58 1.067 3.215 -0.593 421 H LEU 59 H LEU 59 1.061 -3.368 1.958 422 HA LEU 59 HA LEU 59 2.557 -3.100 -0.507 423 1HB LEU 59 HB2 LEU 59 1.071 -5.230 0.809 424 2HB LEU 59 HB1 LEU 59 0.719 -5.121 -0.895 425 HG LEU 59 HG LEU 59 3.481 -5.415 0.254 426 1HD1 LEU 59 HD11 LEU 59 3.261 -7.739 -0.514 427 2HD1 LEU 59 HD12 LEU 59 1.623 -7.372 -1.083 428 3HD1 LEU 59 HD13 LEU 59 1.974 -7.356 0.639 429 1HD2 LEU 59 HD21 LEU 59 4.054 -5.986 -2.080 430 2HD2 LEU 59 HD22 LEU 59 3.463 -4.344 -1.937 431 3HD2 LEU 59 HD23 LEU 59 2.411 -5.601 -2.575 432 H THR 60 H THR 60 1.624 -2.182 -2.236 433 HA THR 60 HA THR 60 -1.198 -1.525 -1.984 434 HB THR 60 HB THR 60 -0.317 0.556 -1.791 435 HG1 THR 60 HG1 THR 60 -1.620 0.825 -3.645 436 1HG2 THR 60 HG21 THR 60 2.009 -0.091 -1.949 437 2HG2 THR 60 HG22 THR 60 1.725 1.389 -2.853 438 3HG2 THR 60 HG23 THR 60 1.889 -0.143 -3.706 439 H LYS 61 H LYS 61 -2.379 -1.210 -3.837 440 HA LYS 61 HA LYS 61 -2.403 -3.349 -5.661 441 1HB LYS 61 HB2 LYS 61 -4.333 -2.124 -4.791 442 2HB LYS 61 HB1 LYS 61 -3.773 -0.668 -5.578 443 1HG LYS 61 HG2 LYS 61 -4.083 -1.872 -7.764 444 2HG LYS 61 HG1 LYS 61 -4.908 -3.141 -6.853 445 1HD LYS 61 HD2 LYS 61 -6.412 -1.385 -5.907 446 2HD LYS 61 HD1 LYS 61 -5.653 -0.218 -6.989 447 1HE LYS 61 HE2 LYS 61 -7.665 -0.907 -8.025 448 2HE LYS 61 HE1 LYS 61 -6.353 -1.710 -8.887 449 1HZ LYS 61 HZ1 LYS 61 -6.814 -3.716 -7.556 450 2HZ LYS 61 HZ2 LYS 61 -8.138 -3.234 -8.476 451 3HZ LYS 61 HZ3 LYS 61 -8.101 -2.903 -6.820 452 H ARG 62 H ARG 62 -0.954 -0.215 -5.662 453 HA ARG 62 HA ARG 62 -0.346 -0.417 -8.530 454 1HB ARG 62 HB2 ARG 62 -0.693 1.971 -8.701 455 2HB ARG 62 HB1 ARG 62 -2.118 1.241 -7.989 456 1HG ARG 62 HG2 ARG 62 -1.163 1.882 -5.738 457 2HG ARG 62 HG1 ARG 62 0.014 2.842 -6.633 458 1HD ARG 62 HD2 ARG 62 -1.695 4.341 -6.081 459 2HD ARG 62 HD1 ARG 62 -1.979 3.923 -7.770 460 HE ARG 62 HE ARG 62 -3.428 2.721 -5.507 461 1HH1 ARG 62 HH11 ARG 62 -3.506 3.999 -8.850 462 2HH1 ARG 62 HH12 ARG 62 -5.194 3.773 -8.964 463 1HH2 ARG 62 HH21 ARG 62 -5.609 2.552 -5.699 464 2HH2 ARG 62 HH22 ARG 62 -6.430 2.934 -7.160 465 H TYR 63 H TYR 63 1.686 0.849 -9.062 466 HA TYR 63 HA TYR 63 3.520 0.578 -6.828 467 1HB TYR 63 HB2 TYR 63 5.367 0.758 -8.515 468 2HB TYR 63 HB1 TYR 63 4.298 -0.604 -8.785 469 HD1 TYR 63 HD1 TYR 63 3.132 -0.836 -10.816 470 HD2 TYR 63 HD2 TYR 63 5.176 2.793 -9.986 471 HE1 TYR 63 HE1 TYR 63 2.799 -0.125 -13.145 472 HE2 TYR 63 HE2 TYR 63 4.849 3.519 -12.309 473 HH TYR 63 HH TYR 63 2.687 1.936 -14.380 474 H ASP 64 H ASP 64 1.853 2.919 -8.505 475 HA ASP 64 HA ASP 64 3.740 5.038 -8.155 476 1HB ASP 64 HB2 ASP 64 1.919 6.554 -8.664 477 2HB ASP 64 HB1 ASP 64 2.188 5.337 -9.930 478 H ALA 65 H ALA 65 1.395 3.710 -6.129 479 HA ALA 65 HA ALA 65 1.018 5.825 -4.292 480 1HB ALA 65 HB1 ALA 65 0.462 4.029 -2.642 481 2HB ALA 65 HB2 ALA 65 0.961 2.838 -3.856 482 3HB ALA 65 HB3 ALA 65 -0.400 3.903 -4.162 483 H LEU 66 H LEU 66 3.653 3.718 -4.796 484 HA LEU 66 HA LEU 66 5.028 4.345 -2.341 485 1HB LEU 66 HB2 LEU 66 6.076 3.072 -4.833 486 2HB LEU 66 HB1 LEU 66 6.919 3.138 -3.302 487 HG LEU 66 HG LEU 66 6.129 0.979 -3.397 488 1HD1 LEU 66 HD11 LEU 66 4.417 0.760 -1.700 489 2HD1 LEU 66 HD12 LEU 66 3.984 2.449 -1.941 490 3HD1 LEU 66 HD13 LEU 66 5.576 2.037 -1.278 491 1HD2 LEU 66 HD21 LEU 66 3.498 2.038 -4.362 492 2HD2 LEU 66 HD22 LEU 66 3.891 0.336 -4.073 493 3HD2 LEU 66 HD23 LEU 66 4.735 1.249 -5.334 494 H SER 67 H SER 67 4.977 5.409 -5.611 495 HA SER 67 HA SER 67 7.400 6.949 -5.589 496 1HB SER 67 HB2 SER 67 5.055 6.574 -7.294 497 2HB SER 67 HB1 SER 67 6.117 7.940 -7.647 498 HG SER 67 HG SER 67 7.749 5.984 -7.414 499 H GLU 68 H GLU 68 4.000 7.668 -5.349 500 HA GLU 68 HA GLU 68 4.519 10.408 -4.784 501 1HB GLU 68 HB2 GLU 68 1.896 9.277 -4.004 502 2HB GLU 68 HB1 GLU 68 2.317 10.778 -4.812 503 1HG GLU 68 HG2 GLU 68 2.973 9.257 -6.802 504 2HG GLU 68 HG1 GLU 68 2.019 8.077 -5.974 505 H HIS 69 H HIS 69 4.502 7.600 -3.045 506 HA HIS 69 HA HIS 69 3.560 8.179 -0.518 507 1HB HIS 69 HB2 HIS 69 4.564 6.027 -1.431 508 2HB HIS 69 HB1 HIS 69 6.110 6.686 -0.848 509 HD1 HIS 69 HD1 HIS 69 2.713 5.624 0.404 510 HD2 HIS 69 HD2 HIS 69 6.566 6.303 1.693 511 HE1 HIS 69 HE1 HIS 69 2.765 4.838 2.800 512 H ASN 70 H ASN 70 7.016 8.619 -1.428 513 HA ASN 70 HA ASN 70 7.614 10.151 0.918 514 1HB ASN 70 HB2 ASN 70 9.750 10.628 -0.259 515 2HB ASN 70 HB1 ASN 70 9.381 8.919 -0.100 516 1HD2 ASN 70 HD21 ASN 70 11.151 9.996 -1.777 517 2HD2 ASN 70 HD22 ASN 70 10.668 9.675 -3.430 518 H LEU 71 H LEU 71 6.051 10.920 -1.845 519 HA LEU 71 HA LEU 71 6.736 13.700 -1.849 520 1HB LEU 71 HB2 LEU 71 6.153 12.980 -3.970 521 2HB LEU 71 HB1 LEU 71 4.932 11.885 -3.378 522 HG LEU 71 HG LEU 71 3.409 13.694 -3.053 523 1HD1 LEU 71 HD11 LEU 71 5.034 15.527 -2.596 524 2HD1 LEU 71 HD12 LEU 71 3.950 15.974 -3.911 525 3HD1 LEU 71 HD13 LEU 71 5.596 15.444 -4.270 526 1HD2 LEU 71 HD21 LEU 71 4.647 13.658 -5.797 527 2HD2 LEU 71 HD22 LEU 71 3.031 14.255 -5.421 528 3HD2 LEU 71 HD23 LEU 71 3.425 12.553 -5.174 529 H LYS 72 H LYS 72 3.928 11.748 -0.891 530 HA LYS 72 HA LYS 72 2.940 14.088 0.561 531 1HB LYS 72 HB2 LYS 72 0.784 12.412 0.463 532 2HB LYS 72 HB1 LYS 72 1.050 13.780 -0.625 533 1HG LYS 72 HG2 LYS 72 2.248 12.066 -2.090 534 2HG LYS 72 HG1 LYS 72 1.579 10.850 -1.050 535 1HD LYS 72 HD2 LYS 72 -0.024 12.847 -2.645 536 2HD LYS 72 HD1 LYS 72 0.137 11.117 -2.962 537 1HE LYS 72 HE2 LYS 72 -1.012 10.636 -0.794 538 2HE LYS 72 HE1 LYS 72 -1.139 12.363 -0.526 539 1HZ LYS 72 HZ1 LYS 72 -3.113 11.345 -1.310 540 2HZ LYS 72 HZ2 LYS 72 -2.364 10.874 -2.750 541 3HZ LYS 72 HZ3 LYS 72 -2.583 12.525 -2.406 542 H TYR 73 H TYR 73 3.492 10.746 0.924 543 HA TYR 73 HA TYR 73 2.349 10.555 3.593 544 1HB TYR 73 HB2 TYR 73 3.867 8.609 1.903 545 2HB TYR 73 HB1 TYR 73 3.196 8.183 3.483 546 HD1 TYR 73 HD1 TYR 73 1.174 7.045 3.405 547 HD2 TYR 73 HD2 TYR 73 2.120 9.721 0.256 548 HE1 TYR 73 HE1 TYR 73 -0.906 6.447 2.244 549 HE2 TYR 73 HE2 TYR 73 0.092 9.140 -0.880 550 HH TYR 73 HH TYR 73 -2.384 7.723 0.620 551 H HIS 74 H HIS 74 5.610 10.085 2.160 552 HA HIS 74 HA HIS 74 6.724 10.830 4.806 553 1HB HIS 74 HB2 HIS 74 7.935 9.088 2.642 554 2HB HIS 74 HB1 HIS 74 8.796 9.555 4.106 555 HD1 HIS 74 HD1 HIS 74 6.253 8.824 6.035 556 HD2 HIS 74 HD2 HIS 74 7.980 6.450 3.098 557 HE1 HIS 74 HE1 HIS 74 5.563 6.470 6.564 558 HA PRO 75 HA PRO 75 7.738 14.002 1.541 559 1HB PRO 75 HB2 PRO 75 7.006 16.197 2.888 560 2HB PRO 75 HB1 PRO 75 5.816 15.180 2.061 561 1HG PRO 75 HG2 PRO 75 6.592 15.161 4.969 562 2HG PRO 75 HG1 PRO 75 4.961 15.169 4.255 563 1HD PRO 75 HD2 PRO 75 6.146 12.879 5.110 564 2HD PRO 75 HD1 PRO 75 5.064 12.945 3.705 565 H GLY 76 H GLY 76 9.439 15.304 1.324 566 1HA GLY 76 HA2 GLY 76 10.885 16.796 2.965 567 2HA GLY 76 HA1 GLY 76 11.454 15.187 3.398 568 H GLU 77 H GLU 77 11.372 13.958 0.905 569 HA GLU 77 HA GLU 77 12.873 15.421 -1.016 570 1HB GLU 77 HB2 GLU 77 14.897 13.970 -0.830 571 2HB GLU 77 HB1 GLU 77 14.686 15.013 0.566 572 1HG GLU 77 HG2 GLU 77 15.080 13.131 1.745 573 2HG GLU 77 HG1 GLU 77 13.386 12.792 1.351 574 H GLU 78 H GLU 78 13.632 13.659 -2.723 575 HA GLU 78 HA GLU 78 11.616 11.537 -2.682 576 1HB GLU 78 HB2 GLU 78 10.905 13.439 -4.167 577 2HB GLU 78 HB1 GLU 78 12.389 13.108 -5.081 578 1HG GLU 78 HG2 GLU 78 11.601 10.873 -5.572 579 2HG GLU 78 HG1 GLU 78 10.112 11.174 -4.681 580 H ASN 79 H ASN 79 13.200 10.067 -2.094 581 HA ASN 79 HA ASN 79 14.871 9.091 -4.282 582 1HB ASN 79 HB2 ASN 79 15.813 9.811 -1.526 583 2HB ASN 79 HB1 ASN 79 16.805 8.884 -2.665 584 1HD2 ASN 79 HD21 ASN 79 15.466 11.867 -1.818 585 2HD2 ASN 79 HD22 ASN 79 16.263 12.932 -2.935 586 H PHE 80 H PHE 80 13.503 7.323 -4.289 587 HA PHE 80 HA PHE 80 13.471 5.630 -1.904 588 1HB PHE 80 HB2 PHE 80 11.589 6.167 -4.053 589 2HB PHE 80 HB1 PHE 80 11.856 4.453 -3.815 590 HD1 PHE 80 HD1 PHE 80 10.011 7.274 -2.764 591 HD2 PHE 80 HD2 PHE 80 11.629 3.622 -1.371 592 HE1 PHE 80 HE1 PHE 80 8.326 7.212 -0.936 593 HE2 PHE 80 HE2 PHE 80 9.958 3.544 0.412 594 HZ PHE 80 HZ PHE 80 8.298 5.343 0.627 595 H LYS 81 H LYS 81 14.198 3.545 -2.017 596 HA LYS 81 HA LYS 81 15.870 2.859 -4.341 597 1HB LYS 81 HB2 LYS 81 17.428 1.968 -2.865 598 2HB LYS 81 HB1 LYS 81 16.636 3.130 -1.788 599 1HG LYS 81 HG2 LYS 81 15.297 1.459 -0.793 600 2HG LYS 81 HG1 LYS 81 15.792 0.270 -1.987 601 1HD LYS 81 HD2 LYS 81 18.154 0.651 -1.128 602 2HD LYS 81 HD1 LYS 81 17.356 1.458 0.241 603 1HE LYS 81 HE2 LYS 81 16.060 -0.540 0.696 604 2HE LYS 81 HE1 LYS 81 16.766 -1.329 -0.708 605 1HZ LYS 81 HZ1 LYS 81 18.311 -0.439 1.671 606 2HZ LYS 81 HZ2 LYS 81 18.905 -1.344 0.379 607 3HZ LYS 81 HZ3 LYS 81 17.763 -2.005 1.427 608 H LEU 82 H LEU 82 15.974 0.359 -4.602 609 HA LEU 82 HA LEU 82 13.330 -0.761 -4.077 610 1HB LEU 82 HB2 LEU 82 13.405 -1.923 -6.229 611 2HB LEU 82 HB1 LEU 82 13.416 -0.188 -6.436 612 HG LEU 82 HG LEU 82 15.968 -1.782 -6.560 613 1HD1 LEU 82 HD11 LEU 82 14.061 -1.136 -8.810 614 2HD1 LEU 82 HD12 LEU 82 14.405 -2.745 -8.171 615 3HD1 LEU 82 HD13 LEU 82 15.668 -1.836 -9.003 616 1HD2 LEU 82 HD21 LEU 82 16.711 0.091 -7.959 617 2HD2 LEU 82 HD22 LEU 82 16.170 0.658 -6.378 618 3HD2 LEU 82 HD23 LEU 82 15.127 0.844 -7.787 619 H THR 83 H THR 83 13.340 -2.711 -3.167 620 HA THR 83 HA THR 83 15.642 -4.421 -3.471 621 HB THR 83 HB THR 83 16.259 -3.219 -1.471 622 HG1 THR 83 HG1 THR 83 16.188 -5.687 -1.428 623 1HG2 THR 83 HG21 THR 83 14.868 -2.962 0.490 624 2HG2 THR 83 HG22 THR 83 13.581 -3.866 -0.293 625 3HG2 THR 83 HG23 THR 83 14.044 -2.278 -0.918 626 H MET 84 H MET 84 14.628 -6.400 -4.164 627 HA MET 84 HA MET 84 11.838 -6.693 -3.241 628 1HB MET 84 HB2 MET 84 12.448 -6.950 -5.701 629 2HB MET 84 HB1 MET 84 13.352 -8.376 -5.233 630 1HG MET 84 HG2 MET 84 10.389 -8.062 -4.781 631 2HG MET 84 HG1 MET 84 11.071 -8.789 -6.220 632 1HE MET 84 HE1 MET 84 13.447 -10.572 -5.132 633 2HE MET 84 HE2 MET 84 12.235 -11.192 -6.255 634 3HE MET 84 HE3 MET 84 12.631 -12.098 -4.797 635 H VAL 85 H VAL 85 11.894 -7.494 -1.295 636 HA VAL 85 HA VAL 85 12.709 -10.227 -1.099 637 HB VAL 85 HB VAL 85 13.597 -9.589 1.350 638 1HG1 VAL 85 HG11 VAL 85 15.905 -9.481 0.473 639 2HG1 VAL 85 HG12 VAL 85 15.260 -9.182 -1.143 640 3HG1 VAL 85 HG13 VAL 85 14.962 -10.726 -0.349 641 1HG2 VAL 85 HG21 VAL 85 13.118 -7.179 1.111 642 2HG2 VAL 85 HG22 VAL 85 14.240 -7.095 -0.241 643 3HG2 VAL 85 HG23 VAL 85 14.842 -7.466 1.374 644 H LYS 86 H LYS 86 10.633 -11.002 -0.669 645 HA LYS 86 HA LYS 86 9.502 -9.798 1.708 646 1HB LYS 86 HB2 LYS 86 8.385 -8.913 -0.437 647 2HB LYS 86 HB1 LYS 86 7.689 -10.533 -0.552 648 1HG LYS 86 HG2 LYS 86 6.084 -9.213 0.379 649 2HG LYS 86 HG1 LYS 86 6.712 -10.175 1.714 650 1HD LYS 86 HD2 LYS 86 7.996 -8.352 2.580 651 2HD LYS 86 HD1 LYS 86 7.806 -7.407 1.117 652 1HE LYS 86 HE2 LYS 86 6.326 -6.339 2.602 653 2HE LYS 86 HE1 LYS 86 5.324 -7.432 1.684 654 1HZ LYS 86 HZ1 LYS 86 6.394 -8.064 4.392 655 2HZ LYS 86 HZ2 LYS 86 5.313 -9.013 3.534 656 3HZ LYS 86 HZ3 LYS 86 4.847 -7.512 4.087 657 H ARG 87 H ARG 87 9.188 -11.270 3.085 658 HA ARG 87 HA ARG 87 9.021 -13.996 2.112 659 1HB ARG 87 HB2 ARG 87 10.306 -12.963 4.655 660 2HB ARG 87 HB1 ARG 87 10.216 -14.649 4.167 661 1HG ARG 87 HG2 ARG 87 12.422 -14.032 3.580 662 2HG ARG 87 HG1 ARG 87 11.518 -13.906 2.069 663 1HD ARG 87 HD2 ARG 87 12.941 -11.975 2.210 664 2HD ARG 87 HD1 ARG 87 11.285 -11.459 2.458 665 HE ARG 87 HE ARG 87 12.697 -12.025 4.887 666 1HH1 ARG 87 HH11 ARG 87 11.852 -9.372 2.591 667 2HH1 ARG 87 HH12 ARG 87 12.275 -8.163 3.672 668 1HH2 ARG 87 HH21 ARG 87 13.309 -10.246 6.313 669 2HH2 ARG 87 HH22 ARG 87 13.121 -8.637 5.797 670 H ASN 88 H ASN 88 7.755 -15.420 3.423 671 HA ASN 88 HA ASN 88 5.954 -16.080 4.585 672 1HB ASN 88 HB2 ASN 88 6.267 -13.463 6.092 673 2HB ASN 88 HB1 ASN 88 5.086 -14.685 6.513 674 1HD2 ASN 88 HD21 ASN 88 5.887 -15.102 8.504 675 2HD2 ASN 88 HD22 ASN 88 7.404 -15.856 8.809 676 H ASN 89 H ASN 89 5.810 -14.104 2.229 677 HA ASN 89 HA ASN 89 2.904 -13.773 2.336 678 1HB ASN 89 HB2 ASN 89 4.806 -11.527 1.576 679 2HB ASN 89 HB1 ASN 89 3.083 -11.495 1.275 680 1HD2 ASN 89 HD21 ASN 89 5.628 -11.173 3.634 681 2HD2 ASN 89 HD22 ASN 89 4.618 -10.562 4.889 682 H GLN 90 H GLN 90 5.087 -12.321 0.005 683 HA GLN 90 HA GLN 90 5.128 -14.413 -1.878 684 1HB GLN 90 HB2 GLN 90 4.028 -13.251 -3.659 685 2HB GLN 90 HB1 GLN 90 2.866 -13.354 -2.317 686 1HG GLN 90 HG2 GLN 90 4.505 -10.953 -2.970 687 2HG GLN 90 HG1 GLN 90 2.922 -11.231 -3.701 688 1HE2 GLN 90 HE21 GLN 90 4.693 -10.322 -0.935 689 2HE2 GLN 90 HE22 GLN 90 3.306 -9.812 0.000 690 H THR 91 H THR 91 6.476 -13.419 -3.785 691 HA THR 91 HA THR 91 8.308 -11.618 -2.453 692 HB THR 91 HB THR 91 9.813 -12.154 -4.416 693 HG1 THR 91 HG1 THR 91 7.889 -12.949 -5.634 694 1HG2 THR 91 HG21 THR 91 8.887 -14.446 -2.657 695 2HG2 THR 91 HG22 THR 91 10.092 -13.253 -2.209 696 3HG2 THR 91 HG23 THR 91 10.418 -14.384 -3.519 697 H ILE 92 H ILE 92 8.089 -9.635 -2.695 698 HA ILE 92 HA ILE 92 7.254 -8.420 -5.134 699 HB ILE 92 HB ILE 92 5.874 -6.797 -3.724 700 1HG1 ILE 92 HG12 ILE 92 4.733 -8.138 -1.792 701 2HG1 ILE 92 HG11 ILE 92 6.263 -8.987 -1.818 702 1HG2 ILE 92 HG21 ILE 92 3.854 -8.284 -3.783 703 2HG2 ILE 92 HG22 ILE 92 4.944 -9.590 -4.285 704 3HG2 ILE 92 HG23 ILE 92 4.765 -8.157 -5.281 705 1HD1 ILE 92 HD11 ILE 92 6.241 -7.118 -0.226 706 2HD1 ILE 92 HD12 ILE 92 6.079 -6.010 -1.591 707 3HD1 ILE 92 HD13 ILE 92 7.510 -7.022 -1.435 708 H PHE 93 H PHE 93 7.681 -6.024 -5.095 709 HA PHE 93 HA PHE 93 10.474 -5.864 -4.288 710 1HB PHE 93 HB2 PHE 93 8.704 -4.058 -5.926 711 2HB PHE 93 HB1 PHE 93 10.419 -3.815 -5.700 712 HD1 PHE 93 HD1 PHE 93 7.823 -5.720 -7.404 713 HD2 PHE 93 HD2 PHE 93 11.991 -5.215 -6.834 714 HE1 PHE 93 HE1 PHE 93 8.240 -7.036 -9.445 715 HE2 PHE 93 HE2 PHE 93 12.438 -6.539 -8.888 716 HZ PHE 93 HZ PHE 93 10.552 -7.443 -10.189 717 H GLU 94 H GLU 94 10.991 -4.779 -2.445 718 HA GLU 94 HA GLU 94 8.986 -3.128 -1.228 719 1HB GLU 94 HB2 GLU 94 11.684 -3.922 -0.103 720 2HB GLU 94 HB1 GLU 94 10.277 -3.321 0.750 721 1HG GLU 94 HG2 GLU 94 9.123 -5.422 0.018 722 2HG GLU 94 HG1 GLU 94 10.722 -6.065 -0.349 723 H GLN 95 H GLN 95 9.407 -0.998 -0.844 724 HA GLN 95 HA GLN 95 11.754 0.099 -2.233 725 1HB GLN 95 HB2 GLN 95 9.323 0.283 -3.236 726 2HB GLN 95 HB1 GLN 95 9.118 1.530 -2.019 727 1HG GLN 95 HG2 GLN 95 10.955 2.786 -2.951 728 2HG GLN 95 HG1 GLN 95 11.281 1.503 -4.107 729 1HE2 GLN 95 HE21 GLN 95 9.188 4.129 -3.256 730 2HE2 GLN 95 HE22 GLN 95 8.395 4.202 -4.791 731 H THR 96 H THR 96 13.103 0.969 -0.719 732 HA THR 96 HA THR 96 11.940 2.171 1.714 733 HB THR 96 HB THR 96 14.755 1.795 1.952 734 HG1 THR 96 HG1 THR 96 14.308 -0.703 1.910 735 1HG2 THR 96 HG21 THR 96 14.112 0.396 3.883 736 2HG2 THR 96 HG22 THR 96 12.463 0.332 3.290 737 3HG2 THR 96 HG23 THR 96 13.127 1.861 3.830 738 H ILE 97 H ILE 97 13.140 3.995 2.547 739 HA ILE 97 HA ILE 97 14.169 5.722 0.380 740 HB ILE 97 HB ILE 97 13.274 6.631 3.141 741 1HG1 ILE 97 HG12 ILE 97 11.535 6.580 0.712 742 2HG1 ILE 97 HG11 ILE 97 11.598 5.174 1.757 743 1HG2 ILE 97 HG21 ILE 97 14.568 8.112 1.517 744 2HG2 ILE 97 HG22 ILE 97 13.012 8.723 2.015 745 3HG2 ILE 97 HG23 ILE 97 13.191 7.971 0.417 746 1HD1 ILE 97 HD11 ILE 97 10.487 7.915 2.293 747 2HD1 ILE 97 HD12 ILE 97 10.907 6.790 3.607 748 3HD1 ILE 97 HD13 ILE 97 9.733 6.321 2.397 749 H ASN 98 H ASN 98 15.943 7.019 0.844 750 HA ASN 98 HA ASN 98 17.864 5.709 2.603 751 1HB ASN 98 HB2 ASN 98 19.484 7.235 1.339 752 2HB ASN 98 HB1 ASN 98 18.719 5.957 0.392 753 1HD2 ASN 98 HD21 ASN 98 17.207 9.036 1.362 754 2HD2 ASN 98 HD22 ASN 98 17.034 9.638 -0.208 755 H ASP 99 H ASP 99 15.628 7.868 3.176 756 HA ASP 99 HA ASP 99 17.298 9.586 4.883 757 1HB ASP 99 HB2 ASP 99 17.161 10.531 2.564 758 2HB ASP 99 HB1 ASP 99 15.463 10.763 2.850 759 H LEU 100 H LEU 100 14.055 9.303 3.490 760 HA LEU 100 HA LEU 100 12.718 10.564 5.693 761 1HB LEU 100 HB2 LEU 100 11.491 9.047 3.368 762 2HB LEU 100 HB1 LEU 100 10.777 10.260 4.393 763 HG LEU 100 HG LEU 100 13.152 11.105 2.823 764 1HD1 LEU 100 HD11 LEU 100 11.861 9.885 1.136 765 2HD1 LEU 100 HD12 LEU 100 11.722 11.603 0.903 766 3HD1 LEU 100 HD13 LEU 100 10.399 10.712 1.675 767 1HD2 LEU 100 HD21 LEU 100 11.946 13.146 2.741 768 2HD2 LEU 100 HD22 LEU 100 11.922 12.558 4.414 769 3HD2 LEU 100 HD23 LEU 100 10.510 12.369 3.359 770 H THR 101 H THR 101 14.129 7.833 5.648 771 HA THR 101 HA THR 101 12.316 5.872 6.479 772 HB THR 101 HB THR 101 15.290 6.158 6.881 773 HG1 THR 101 HG1 THR 101 13.848 4.995 4.746 774 1HG2 THR 101 HG21 THR 101 13.570 3.692 6.555 775 2HG2 THR 101 HG22 THR 101 14.289 4.216 8.085 776 3HG2 THR 101 HG23 THR 101 15.316 3.711 6.737 777 H PHE 102 H PHE 102 13.938 8.546 7.895 778 HA PHE 102 HA PHE 102 13.538 7.567 10.644 779 1HB PHE 102 HB2 PHE 102 15.485 9.654 9.633 780 2HB PHE 102 HB1 PHE 102 15.289 9.171 11.314 781 HD1 PHE 102 HD1 PHE 102 16.010 6.916 12.025 782 HD2 PHE 102 HD2 PHE 102 16.746 8.371 8.091 783 HE1 PHE 102 HE1 PHE 102 17.703 5.172 11.701 784 HE2 PHE 102 HE2 PHE 102 18.443 6.625 7.758 785 HZ PHE 102 HZ PHE 102 18.926 5.019 9.565 Start of MODEL 8 1 HA MET 1 HA MET 1 -7.533 13.447 -4.118 2 1HB MET 1 HB2 MET 1 -9.955 14.872 -2.957 3 2HB MET 1 HB1 MET 1 -8.283 15.362 -2.731 4 1HG MET 1 HG2 MET 1 -9.795 15.337 -5.342 5 2HG MET 1 HG1 MET 1 -9.413 16.759 -4.376 6 1HE MET 1 HE1 MET 1 -7.055 17.805 -4.131 7 2HE MET 1 HE2 MET 1 -5.568 17.066 -4.734 8 3HE MET 1 HE3 MET 1 -6.467 16.297 -3.428 9 H ALA 2 H ALA 2 -7.059 13.743 -1.597 10 HA ALA 2 HA ALA 2 -7.821 11.178 -0.510 11 1HB ALA 2 HB1 ALA 2 -5.441 11.809 -0.565 12 2HB ALA 2 HB2 ALA 2 -6.014 11.507 1.074 13 3HB ALA 2 HB3 ALA 2 -5.784 13.158 0.519 14 H HIS 3 H HIS 3 -9.780 11.313 0.330 15 HA HIS 3 HA HIS 3 -10.257 12.294 2.847 16 1HB HIS 3 HB2 HIS 3 -11.829 14.191 2.520 17 2HB HIS 3 HB1 HIS 3 -10.218 14.606 1.975 18 HD1 HIS 3 HD1 HIS 3 -13.369 15.544 1.112 19 HD2 HIS 3 HD2 HIS 3 -10.378 13.744 -1.124 20 HE1 HIS 3 HE1 HIS 3 -13.863 16.109 -1.297 21 H HIS 4 H HIS 4 -11.748 10.906 3.577 22 HA HIS 4 HA HIS 4 -13.501 9.885 1.533 23 1HB HIS 4 HB2 HIS 4 -14.044 7.971 2.897 24 2HB HIS 4 HB1 HIS 4 -12.313 8.186 2.984 25 HD1 HIS 4 HD1 HIS 4 -11.327 8.330 5.365 26 HD2 HIS 4 HD2 HIS 4 -15.470 8.574 5.265 27 HE1 HIS 4 HE1 HIS 4 -12.107 8.102 7.751 28 H HIS 5 H HIS 5 -15.032 11.100 1.139 29 HA HIS 5 HA HIS 5 -16.656 12.172 3.326 30 1HB HIS 5 HB2 HIS 5 -17.662 13.681 1.568 31 2HB HIS 5 HB1 HIS 5 -15.935 13.910 1.791 32 HD1 HIS 5 HD1 HIS 5 -18.457 13.064 -0.776 33 HD2 HIS 5 HD2 HIS 5 -14.341 12.917 -0.325 34 HE1 HIS 5 HE1 HIS 5 -17.526 12.729 -3.078 35 H HIS 6 H HIS 6 -16.455 9.495 1.967 36 HA HIS 6 HA HIS 6 -19.307 9.069 1.581 37 1HB HIS 6 HB2 HIS 6 -18.729 7.268 -0.088 38 2HB HIS 6 HB1 HIS 6 -18.349 8.888 -0.631 39 HD1 HIS 6 HD1 HIS 6 -16.012 9.210 -1.530 40 HD2 HIS 6 HD2 HIS 6 -16.359 5.756 0.747 41 HE1 HIS 6 HE1 HIS 6 -13.794 8.013 -1.715 42 H HIS 7 H HIS 7 -20.137 7.452 2.691 43 HA HIS 7 HA HIS 7 -20.408 5.979 4.366 44 1HB HIS 7 HB2 HIS 7 -17.994 4.630 3.105 45 2HB HIS 7 HB1 HIS 7 -19.119 3.865 4.214 46 HD1 HIS 7 HD1 HIS 7 -21.231 2.853 3.151 47 HD2 HIS 7 HD2 HIS 7 -18.997 5.177 0.530 48 HE1 HIS 7 HE1 HIS 7 -22.179 2.431 0.858 49 H HIS 8 H HIS 8 -17.217 4.895 4.703 50 HA HIS 8 HA HIS 8 -16.192 6.747 6.587 51 1HB HIS 8 HB2 HIS 8 -16.290 5.255 8.582 52 2HB HIS 8 HB1 HIS 8 -17.901 5.716 8.060 53 HD1 HIS 8 HD1 HIS 8 -15.662 2.714 8.478 54 HD2 HIS 8 HD2 HIS 8 -19.468 3.610 7.049 55 HE1 HIS 8 HE1 HIS 8 -16.849 0.526 8.229 56 H ASN 9 H ASN 9 -15.515 5.310 4.143 57 HA ASN 9 HA ASN 9 -13.330 3.563 5.061 58 1HB ASN 9 HB2 ASN 9 -15.158 3.043 2.694 59 2HB ASN 9 HB1 ASN 9 -13.832 2.029 3.219 60 1HD2 ASN 9 HD21 ASN 9 -14.189 0.589 4.948 61 2HD2 ASN 9 HD22 ASN 9 -15.768 0.289 5.570 62 H GLN 10 H GLN 10 -11.436 3.900 3.777 63 HA GLN 10 HA GLN 10 -11.565 6.021 1.806 64 1HB GLN 10 HB2 GLN 10 -9.297 4.103 2.372 65 2HB GLN 10 HB1 GLN 10 -9.165 5.623 1.508 66 1HG GLN 10 HG2 GLN 10 -9.692 5.255 4.451 67 2HG GLN 10 HG1 GLN 10 -8.155 5.682 3.724 68 1HE2 GLN 10 HE21 GLN 10 -9.580 7.565 1.803 69 2HE2 GLN 10 HE22 GLN 10 -9.935 8.910 2.786 70 H GLN 11 H GLN 11 -12.765 5.291 0.130 71 HA GLN 11 HA GLN 11 -12.230 2.585 -0.890 72 1HB GLN 11 HB2 GLN 11 -14.380 2.922 0.269 73 2HB GLN 11 HB1 GLN 11 -14.798 4.184 -0.869 74 1HG GLN 11 HG2 GLN 11 -14.926 2.554 -2.667 75 2HG GLN 11 HG1 GLN 11 -14.383 1.281 -1.575 76 1HE2 GLN 11 HE21 GLN 11 -15.957 2.220 0.646 77 2HE2 GLN 11 HE22 GLN 11 -17.601 1.817 0.306 78 H ASN 12 H ASN 12 -11.008 5.221 -1.669 79 HA ASN 12 HA ASN 12 -12.083 5.700 -4.286 80 1HB ASN 12 HB2 ASN 12 -9.682 6.851 -2.882 81 2HB ASN 12 HB1 ASN 12 -9.977 7.161 -4.589 82 1HD2 ASN 12 HD21 ASN 12 -10.914 7.889 -1.347 83 2HD2 ASN 12 HD22 ASN 12 -12.072 9.088 -1.755 84 H LYS 13 H LYS 13 -10.519 5.768 -6.201 85 HA LYS 13 HA LYS 13 -9.661 3.013 -6.540 86 1HB LYS 13 HB2 LYS 13 -9.708 5.299 -8.500 87 2HB LYS 13 HB1 LYS 13 -9.416 3.617 -8.895 88 1HG LYS 13 HG2 LYS 13 -11.680 3.035 -8.241 89 2HG LYS 13 HG1 LYS 13 -11.995 4.705 -7.773 90 1HD LYS 13 HD2 LYS 13 -11.277 3.774 -10.558 91 2HD LYS 13 HD1 LYS 13 -12.905 4.165 -10.002 92 1HE LYS 13 HE2 LYS 13 -12.193 6.472 -9.558 93 2HE LYS 13 HE1 LYS 13 -10.568 6.082 -10.108 94 1HZ LYS 13 HZ1 LYS 13 -13.017 5.956 -11.775 95 2HZ LYS 13 HZ2 LYS 13 -11.454 5.611 -12.296 96 3HZ LYS 13 HZ3 LYS 13 -11.847 7.179 -11.824 97 H LYS 14 H LYS 14 -8.318 5.944 -5.702 98 HA LYS 14 HA LYS 14 -5.641 5.040 -6.463 99 1HB LYS 14 HB2 LYS 14 -6.335 7.023 -7.757 100 2HB LYS 14 HB1 LYS 14 -6.662 7.882 -6.265 101 1HG LYS 14 HG2 LYS 14 -4.559 8.628 -7.176 102 2HG LYS 14 HG1 LYS 14 -4.255 7.727 -5.692 103 1HD LYS 14 HD2 LYS 14 -3.722 5.731 -7.075 104 2HD LYS 14 HD1 LYS 14 -3.935 6.724 -8.519 105 1HE LYS 14 HE2 LYS 14 -1.910 7.164 -6.330 106 2HE LYS 14 HE1 LYS 14 -1.577 6.502 -7.925 107 1HZ LYS 14 HZ1 LYS 14 -1.020 8.876 -7.705 108 2HZ LYS 14 HZ2 LYS 14 -2.619 9.239 -7.397 109 3HZ LYS 14 HZ3 LYS 14 -2.178 8.624 -8.905 110 H VAL 15 H VAL 15 -4.081 5.298 -4.927 111 HA VAL 15 HA VAL 15 -4.703 5.010 -2.259 112 HB VAL 15 HB VAL 15 -2.578 4.507 -3.669 113 1HG1 VAL 15 HG11 VAL 15 -0.688 6.013 -3.356 114 2HG1 VAL 15 HG12 VAL 15 -1.806 7.197 -2.672 115 3HG1 VAL 15 HG13 VAL 15 -1.992 6.686 -4.352 116 1HG2 VAL 15 HG21 VAL 15 -2.813 3.777 -1.385 117 2HG2 VAL 15 HG22 VAL 15 -2.302 5.366 -0.810 118 3HG2 VAL 15 HG23 VAL 15 -1.164 4.337 -1.672 119 H GLU 16 H GLU 16 -5.127 6.539 -0.619 120 HA GLU 16 HA GLU 16 -5.126 9.345 -1.466 121 1HB GLU 16 HB2 GLU 16 -6.508 8.032 0.854 122 2HB GLU 16 HB1 GLU 16 -6.728 9.691 0.327 123 1HG GLU 16 HG2 GLU 16 -7.569 8.800 -1.829 124 2HG GLU 16 HG1 GLU 16 -7.410 7.192 -1.088 125 H GLY 17 H GLY 17 -4.889 7.974 1.764 126 1HA GLY 17 HA2 GLY 17 -2.239 9.133 2.074 127 2HA GLY 17 HA1 GLY 17 -3.545 9.901 2.979 128 H GLY 18 H GLY 18 -3.796 6.633 2.385 129 1HA GLY 18 HA2 GLY 18 -2.705 6.013 5.045 130 2HA GLY 18 HA1 GLY 18 -4.293 5.414 4.565 131 H TYR 19 H TYR 19 -3.750 3.254 4.757 132 HA TYR 19 HA TYR 19 -1.732 2.205 2.839 133 1HB TYR 19 HB2 TYR 19 -2.788 0.846 5.273 134 2HB TYR 19 HB1 TYR 19 -1.311 0.477 4.378 135 HD1 TYR 19 HD1 TYR 19 -2.504 1.772 7.332 136 HD2 TYR 19 HD2 TYR 19 0.371 2.639 4.321 137 HE1 TYR 19 HE1 TYR 19 -1.375 3.188 8.879 138 HE2 TYR 19 HE2 TYR 19 1.575 4.092 5.884 139 HH TYR 19 HH TYR 19 1.028 5.411 7.869 140 H GLU 20 H GLU 20 -2.484 1.524 1.203 141 HA GLU 20 HA GLU 20 -5.118 0.302 1.162 142 1HB GLU 20 HB2 GLU 20 -4.544 1.911 -0.633 143 2HB GLU 20 HB1 GLU 20 -3.135 0.947 -1.038 144 1HG GLU 20 HG2 GLU 20 -4.875 -0.968 -1.372 145 2HG GLU 20 HG1 GLU 20 -6.021 0.361 -1.522 146 H CYS 21 H CYS 21 -5.238 -1.753 0.728 147 HA CYS 21 HA CYS 21 -2.854 -3.451 0.804 148 1HB CYS 21 HB2 CYS 21 -5.721 -4.262 0.443 149 2HB CYS 21 HB1 CYS 21 -4.371 -5.338 0.764 150 H LYS 22 H LYS 22 -2.002 -4.331 -0.935 151 HA LYS 22 HA LYS 22 -2.637 -3.837 -3.608 152 1HB LYS 22 HB2 LYS 22 -0.416 -4.445 -2.885 153 2HB LYS 22 HB1 LYS 22 -0.978 -5.963 -2.228 154 1HG LYS 22 HG2 LYS 22 -1.110 -5.444 -5.173 155 2HG LYS 22 HG1 LYS 22 0.422 -5.884 -4.422 156 1HD LYS 22 HD2 LYS 22 -2.072 -7.432 -4.003 157 2HD LYS 22 HD1 LYS 22 -1.005 -7.788 -5.387 158 1HE LYS 22 HE2 LYS 22 -0.278 -7.906 -2.438 159 2HE LYS 22 HE1 LYS 22 -0.688 -9.307 -3.415 160 1HZ LYS 22 HZ1 LYS 22 1.677 -7.548 -3.668 161 2HZ LYS 22 HZ2 LYS 22 1.234 -8.649 -4.835 162 3HZ LYS 22 HZ3 LYS 22 1.618 -9.204 -3.261 163 H TYR 23 H TYR 23 -4.171 -5.834 -1.435 164 HA TYR 23 HA TYR 23 -5.347 -7.530 -3.484 165 1HB TYR 23 HB2 TYR 23 -5.676 -9.023 -1.235 166 2HB TYR 23 HB1 TYR 23 -4.342 -9.197 -2.366 167 HD1 TYR 23 HD1 TYR 23 -5.282 -8.171 1.007 168 HD2 TYR 23 HD2 TYR 23 -2.152 -8.223 -1.843 169 HE1 TYR 23 HE1 TYR 23 -3.646 -7.691 2.784 170 HE2 TYR 23 HE2 TYR 23 -0.510 -7.747 -0.085 171 HH TYR 23 HH TYR 23 -1.204 -8.001 3.185 172 H CYS 24 H CYS 24 -6.137 -4.913 -1.809 173 HA CYS 24 HA CYS 24 -8.854 -5.437 -2.260 174 1HB CYS 24 HB2 CYS 24 -9.781 -5.103 -0.012 175 2HB CYS 24 HB1 CYS 24 -8.653 -6.451 -0.027 176 H THR 25 H THR 25 -9.777 -3.636 -2.976 177 HA THR 25 HA THR 25 -8.166 -1.255 -2.785 178 HB THR 25 HB THR 25 -10.759 -1.678 -4.318 179 HG1 THR 25 HG1 THR 25 -8.723 -2.905 -4.799 180 1HG2 THR 25 HG21 THR 25 -10.048 0.324 -5.590 181 2HG2 THR 25 HG22 THR 25 -8.639 0.491 -4.540 182 3HG2 THR 25 HG23 THR 25 -10.259 0.704 -3.882 183 H PHE 26 H PHE 26 -8.430 -1.278 -0.624 184 HA PHE 26 HA PHE 26 -10.438 0.496 0.351 185 1HB PHE 26 HB2 PHE 26 -11.534 -1.571 0.909 186 2HB PHE 26 HB1 PHE 26 -10.017 -2.313 1.399 187 HD1 PHE 26 HD1 PHE 26 -12.016 0.726 2.296 188 HD2 PHE 26 HD2 PHE 26 -9.741 -2.608 3.625 189 HE1 PHE 26 HE1 PHE 26 -12.423 1.379 4.639 190 HE2 PHE 26 HE2 PHE 26 -10.142 -1.971 5.940 191 HZ PHE 26 HZ PHE 26 -11.485 0.031 6.464 192 H GLN 27 H GLN 27 -9.420 1.840 1.635 193 HA GLN 27 HA GLN 27 -6.741 1.093 2.501 194 1HB GLN 27 HB2 GLN 27 -6.456 2.552 0.704 195 2HB GLN 27 HB1 GLN 27 -7.745 3.621 1.222 196 1HG GLN 27 HG2 GLN 27 -6.396 4.370 3.076 197 2HG GLN 27 HG1 GLN 27 -5.173 3.169 2.650 198 1HE2 GLN 27 HE21 GLN 27 -3.885 3.551 1.155 199 2HE2 GLN 27 HE22 GLN 27 -3.676 5.002 0.236 200 H THR 28 H THR 28 -6.032 1.883 4.465 201 HA THR 28 HA THR 28 -7.707 3.713 5.853 202 HB THR 28 HB THR 28 -8.611 1.604 6.695 203 HG1 THR 28 HG1 THR 28 -8.496 3.150 8.283 204 1HG2 THR 28 HG21 THR 28 -6.678 0.138 6.219 205 2HG2 THR 28 HG22 THR 28 -7.199 -0.029 7.895 206 3HG2 THR 28 HG23 THR 28 -5.778 0.923 7.512 207 HA PRO 29 HA PRO 29 -3.543 5.172 6.704 208 1HB PRO 29 HB2 PRO 29 -4.332 7.336 8.191 209 2HB PRO 29 HB1 PRO 29 -4.296 7.293 6.420 210 1HG PRO 29 HG2 PRO 29 -6.616 6.899 8.260 211 2HG PRO 29 HG1 PRO 29 -6.524 7.827 6.752 212 1HD PRO 29 HD2 PRO 29 -7.619 5.370 6.830 213 2HD PRO 29 HD1 PRO 29 -6.676 5.911 5.424 214 H ASP 30 H ASP 30 -5.763 3.833 8.794 215 HA ASP 30 HA ASP 30 -4.118 4.183 11.164 216 1HB ASP 30 HB2 ASP 30 -6.677 2.628 10.705 217 2HB ASP 30 HB1 ASP 30 -5.812 2.685 12.230 218 H LEU 31 H LEU 31 -2.297 3.030 10.995 219 HA LEU 31 HA LEU 31 -1.786 0.784 9.547 220 1HB LEU 31 HB2 LEU 31 -0.307 2.348 11.013 221 2HB LEU 31 HB1 LEU 31 -0.599 1.170 12.274 222 HG LEU 31 HG LEU 31 1.558 0.715 11.313 223 1HD1 LEU 31 HD11 LEU 31 0.304 -1.282 11.841 224 2HD1 LEU 31 HD12 LEU 31 1.302 -1.544 10.393 225 3HD1 LEU 31 HD13 LEU 31 -0.431 -1.202 10.239 226 1HD2 LEU 31 HD21 LEU 31 1.880 0.275 8.935 227 2HD2 LEU 31 HD22 LEU 31 1.229 1.900 9.248 228 3HD2 LEU 31 HD23 LEU 31 0.164 0.630 8.678 229 H ASN 32 H ASN 32 -2.997 1.044 12.889 230 HA ASN 32 HA ASN 32 -3.005 -1.608 13.629 231 1HB ASN 32 HB2 ASN 32 -3.600 0.394 15.101 232 2HB ASN 32 HB1 ASN 32 -5.144 0.343 14.221 233 1HD2 ASN 32 HD21 ASN 32 -3.815 -2.706 14.870 234 2HD2 ASN 32 HD22 ASN 32 -4.898 -3.034 16.167 235 H MET 33 H MET 33 -5.478 0.254 11.963 236 HA MET 33 HA MET 33 -7.266 -1.926 11.884 237 1HB MET 33 HB2 MET 33 -7.294 0.588 10.207 238 2HB MET 33 HB1 MET 33 -8.621 -0.550 10.369 239 1HG MET 33 HG2 MET 33 -7.400 1.066 12.523 240 2HG MET 33 HG1 MET 33 -8.931 1.442 11.726 241 1HE MET 33 HE1 MET 33 -10.082 -1.645 11.452 242 2HE MET 33 HE2 MET 33 -11.082 -0.256 11.879 243 3HE MET 33 HE3 MET 33 -11.109 -1.706 12.883 244 H PHE 34 H PHE 34 -4.867 -0.552 9.766 245 HA PHE 34 HA PHE 34 -5.456 -1.976 7.423 246 1HB PHE 34 HB2 PHE 34 -3.954 -0.136 7.241 247 2HB PHE 34 HB1 PHE 34 -2.895 -0.749 8.479 248 HD1 PHE 34 HD1 PHE 34 -1.054 -2.041 7.926 249 HD2 PHE 34 HD2 PHE 34 -4.140 -1.502 5.028 250 HE1 PHE 34 HE1 PHE 34 0.363 -3.117 6.213 251 HE2 PHE 34 HE2 PHE 34 -2.732 -2.577 3.327 252 HZ PHE 34 HZ PHE 34 -0.484 -3.389 3.916 253 H THR 35 H THR 35 -3.113 -2.683 9.946 254 HA THR 35 HA THR 35 -2.436 -5.173 8.780 255 HB THR 35 HB THR 35 -0.817 -3.883 10.135 256 HG1 THR 35 HG1 THR 35 0.137 -5.635 10.560 257 1HG2 THR 35 HG21 THR 35 -2.569 -4.630 12.466 258 2HG2 THR 35 HG22 THR 35 -2.277 -3.015 11.795 259 3HG2 THR 35 HG23 THR 35 -0.962 -3.886 12.586 260 H PHE 36 H PHE 36 -4.847 -4.137 11.033 261 HA PHE 36 HA PHE 36 -5.460 -6.678 12.080 262 1HB PHE 36 HB2 PHE 36 -6.251 -4.941 13.383 263 2HB PHE 36 HB1 PHE 36 -6.926 -4.039 12.050 264 HD1 PHE 36 HD1 PHE 36 -9.240 -3.988 12.025 265 HD2 PHE 36 HD2 PHE 36 -7.322 -7.458 13.556 266 HE1 PHE 36 HE1 PHE 36 -11.435 -4.988 12.512 267 HE2 PHE 36 HE2 PHE 36 -9.516 -8.457 14.061 268 HZ PHE 36 HZ PHE 36 -11.572 -7.218 13.533 269 H HIS 37 H HIS 37 -7.107 -4.716 9.579 270 HA HIS 37 HA HIS 37 -8.823 -6.861 8.990 271 1HB HIS 37 HB2 HIS 37 -9.859 -5.514 7.362 272 2HB HIS 37 HB1 HIS 37 -9.124 -4.330 8.432 273 HD1 HIS 37 HD1 HIS 37 -7.545 -2.673 7.358 274 HD2 HIS 37 HD2 HIS 37 -8.564 -5.827 4.867 275 HE1 HIS 37 HE1 HIS 37 -6.617 -2.077 5.072 276 H VAL 38 H VAL 38 -5.651 -6.090 7.918 277 HA VAL 38 HA VAL 38 -5.638 -7.885 5.735 278 HB VAL 38 HB VAL 38 -3.419 -6.751 7.408 279 1HG1 VAL 38 HG11 VAL 38 -2.697 -8.964 6.593 280 2HG1 VAL 38 HG12 VAL 38 -1.821 -7.698 5.724 281 3HG1 VAL 38 HG13 VAL 38 -3.175 -8.531 4.953 282 1HG2 VAL 38 HG21 VAL 38 -2.850 -5.537 5.329 283 2HG2 VAL 38 HG22 VAL 38 -4.479 -5.190 5.911 284 3HG2 VAL 38 HG23 VAL 38 -4.246 -6.286 4.550 285 H ASP 39 H ASP 39 -4.403 -8.264 9.078 286 HA ASP 39 HA ASP 39 -3.669 -10.966 8.606 287 1HB ASP 39 HB2 ASP 39 -2.599 -9.579 10.312 288 2HB ASP 39 HB1 ASP 39 -4.108 -9.513 11.214 289 H SER 40 H SER 40 -6.550 -9.462 9.411 290 HA SER 40 HA SER 40 -7.784 -11.821 10.541 291 1HB SER 40 HB2 SER 40 -8.319 -9.570 11.421 292 2HB SER 40 HB1 SER 40 -8.974 -9.126 9.856 293 HG SER 40 HG SER 40 -10.674 -10.380 10.154 294 H GLU 41 H GLU 41 -8.019 -9.890 7.554 295 HA GLU 41 HA GLU 41 -10.030 -11.805 6.648 296 1HB GLU 41 HB2 GLU 41 -9.343 -9.164 5.367 297 2HB GLU 41 HB1 GLU 41 -10.713 -10.190 4.988 298 1HG GLU 41 HG2 GLU 41 -10.250 -8.620 7.515 299 2HG GLU 41 HG1 GLU 41 -11.494 -8.349 6.301 300 H HIS 42 H HIS 42 -6.944 -10.364 5.537 301 HA HIS 42 HA HIS 42 -6.639 -12.586 3.739 302 1HB HIS 42 HB2 HIS 42 -5.442 -10.610 2.366 303 2HB HIS 42 HB1 HIS 42 -7.038 -11.204 1.935 304 HD1 HIS 42 HD1 HIS 42 -8.935 -9.445 2.172 305 HD2 HIS 42 HD2 HIS 42 -5.303 -8.105 3.689 306 HE1 HIS 42 HE1 HIS 42 -9.237 -6.989 2.589 307 HA PRO 43 HA PRO 43 -2.935 -11.652 6.420 308 1HB PRO 43 HB2 PRO 43 -2.558 -14.223 7.300 309 2HB PRO 43 HB1 PRO 43 -3.574 -13.050 8.140 310 1HG PRO 43 HG2 PRO 43 -4.359 -15.256 6.283 311 2HG PRO 43 HG1 PRO 43 -5.146 -14.716 7.776 312 1HD PRO 43 HD2 PRO 43 -6.054 -14.041 5.308 313 2HD PRO 43 HD1 PRO 43 -6.225 -12.983 6.725 314 H ASN 44 H ASN 44 -3.485 -14.616 4.568 315 HA ASN 44 HA ASN 44 -0.770 -14.422 3.467 316 1HB ASN 44 HB2 ASN 44 -2.607 -16.831 3.667 317 2HB ASN 44 HB1 ASN 44 -1.031 -16.833 2.882 318 1HD2 ASN 44 HD21 ASN 44 0.833 -16.810 4.162 319 2HD2 ASN 44 HD22 ASN 44 0.762 -17.092 5.860 320 H VAL 45 H VAL 45 -0.671 -13.755 1.458 321 HA VAL 45 HA VAL 45 -2.640 -14.451 -0.472 322 HB VAL 45 HB VAL 45 -3.733 -12.535 0.652 323 1HG1 VAL 45 HG11 VAL 45 -2.758 -10.357 0.743 324 2HG1 VAL 45 HG12 VAL 45 -1.223 -11.001 0.147 325 3HG1 VAL 45 HG13 VAL 45 -1.874 -11.540 1.699 326 1HG2 VAL 45 HG21 VAL 45 -4.011 -11.008 -1.211 327 2HG2 VAL 45 HG22 VAL 45 -4.013 -12.678 -1.785 328 3HG2 VAL 45 HG23 VAL 45 -2.577 -11.669 -1.996 329 H VAL 46 H VAL 46 -1.801 -13.950 -2.638 330 HA VAL 46 HA VAL 46 1.033 -13.212 -2.629 331 HB VAL 46 HB VAL 46 1.555 -15.022 -4.225 332 1HG1 VAL 46 HG11 VAL 46 0.360 -16.022 -1.649 333 2HG1 VAL 46 HG12 VAL 46 2.007 -15.426 -1.887 334 3HG1 VAL 46 HG13 VAL 46 1.490 -16.919 -2.662 335 1HG2 VAL 46 HG21 VAL 46 -0.026 -16.881 -4.579 336 2HG2 VAL 46 HG22 VAL 46 -0.662 -15.353 -5.193 337 3HG2 VAL 46 HG23 VAL 46 -1.248 -15.999 -3.663 338 H LEU 47 H LEU 47 1.884 -12.912 -4.835 339 HA LEU 47 HA LEU 47 0.534 -12.723 -7.185 340 1HB LEU 47 HB2 LEU 47 -0.596 -10.710 -6.056 341 2HB LEU 47 HB1 LEU 47 0.993 -9.981 -5.948 342 HG LEU 47 HG LEU 47 1.155 -9.990 -8.416 343 1HD1 LEU 47 HD11 LEU 47 -1.695 -10.962 -8.305 344 2HD1 LEU 47 HD12 LEU 47 -0.307 -11.863 -8.916 345 3HD1 LEU 47 HD13 LEU 47 -0.857 -10.414 -9.755 346 1HD2 LEU 47 HD21 LEU 47 -0.451 -8.201 -8.831 347 2HD2 LEU 47 HD22 LEU 47 0.329 -7.999 -7.260 348 3HD2 LEU 47 HD23 LEU 47 -1.317 -8.633 -7.359 349 H ASN 48 H ASN 48 2.152 -12.250 -8.803 350 HA ASN 48 HA ASN 48 4.706 -12.899 -7.726 351 1HB ASN 48 HB2 ASN 48 3.969 -13.984 -9.743 352 2HB ASN 48 HB1 ASN 48 3.871 -12.446 -10.585 353 1HD2 ASN 48 HD21 ASN 48 5.724 -11.542 -11.410 354 2HD2 ASN 48 HD22 ASN 48 7.245 -12.362 -11.398 355 H SER 49 H SER 49 3.441 -9.885 -9.070 356 HA SER 49 HA SER 49 5.870 -8.657 -8.066 357 1HB SER 49 HB2 SER 49 4.955 -8.296 -10.927 358 2HB SER 49 HB1 SER 49 6.222 -7.346 -10.146 359 HG SER 49 HG SER 49 6.672 -9.927 -9.723 360 H SER 50 H SER 50 5.372 -7.039 -6.782 361 HA SER 50 HA SER 50 3.443 -5.055 -7.478 362 1HB SER 50 HB2 SER 50 3.383 -6.527 -4.844 363 2HB SER 50 HB1 SER 50 2.323 -5.246 -5.407 364 HG SER 50 HG SER 50 1.883 -6.860 -7.170 365 H TYR 51 H TYR 51 3.684 -3.360 -5.614 366 HA TYR 51 HA TYR 51 6.462 -3.325 -4.694 367 1HB TYR 51 HB2 TYR 51 4.746 -1.243 -5.935 368 2HB TYR 51 HB1 TYR 51 5.911 -0.768 -4.721 369 HD1 TYR 51 HD1 TYR 51 6.512 -3.400 -7.301 370 HD2 TYR 51 HD2 TYR 51 7.235 0.598 -6.058 371 HE1 TYR 51 HE1 TYR 51 8.205 -3.157 -9.059 372 HE2 TYR 51 HE2 TYR 51 8.934 0.846 -7.801 373 HH TYR 51 HH TYR 51 10.283 -0.356 -9.195 374 H VAL 52 H VAL 52 6.814 -2.663 -2.645 375 HA VAL 52 HA VAL 52 4.503 -1.918 -0.992 376 HB VAL 52 HB VAL 52 4.985 -4.336 -0.671 377 1HG1 VAL 52 HG11 VAL 52 7.032 -5.064 0.300 378 2HG1 VAL 52 HG12 VAL 52 7.653 -3.423 0.235 379 3HG1 VAL 52 HG13 VAL 52 7.296 -4.304 -1.268 380 1HG2 VAL 52 HG21 VAL 52 5.358 -4.410 1.734 381 2HG2 VAL 52 HG22 VAL 52 4.181 -3.188 1.268 382 3HG2 VAL 52 HG23 VAL 52 5.822 -2.705 1.709 383 H CYS 53 H CYS 53 4.967 -0.401 0.525 384 HA CYS 53 HA CYS 53 7.591 0.911 0.478 385 1HB CYS 53 HB2 CYS 53 5.620 2.293 0.646 386 2HB CYS 53 HB1 CYS 53 5.034 1.405 2.033 387 H VAL 54 H VAL 54 9.073 -0.442 1.452 388 HA VAL 54 HA VAL 54 8.581 -2.323 3.407 389 HB VAL 54 HB VAL 54 11.126 -1.041 3.848 390 1HG1 VAL 54 HG11 VAL 54 10.628 -3.348 4.386 391 2HG1 VAL 54 HG12 VAL 54 11.983 -3.194 3.224 392 3HG1 VAL 54 HG13 VAL 54 10.367 -3.601 2.648 393 1HG2 VAL 54 HG21 VAL 54 10.368 -1.607 1.016 394 2HG2 VAL 54 HG22 VAL 54 12.037 -1.655 1.564 395 3HG2 VAL 54 HG23 VAL 54 11.096 -0.172 1.698 396 H GLU 55 H GLU 55 9.152 1.052 3.615 397 HA GLU 55 HA GLU 55 9.852 1.344 6.273 398 1HB GLU 55 HB2 GLU 55 8.265 3.328 4.661 399 2HB GLU 55 HB1 GLU 55 9.331 3.668 6.016 400 1HG GLU 55 HG2 GLU 55 10.224 2.574 3.352 401 2HG GLU 55 HG1 GLU 55 10.305 4.259 3.834 402 H CYS 56 H CYS 56 6.812 1.200 4.677 403 HA CYS 56 HA CYS 56 5.314 1.514 7.238 404 1HB CYS 56 HB2 CYS 56 4.234 1.426 4.439 405 2HB CYS 56 HB1 CYS 56 3.382 1.979 5.880 406 H ASN 57 H ASN 57 6.352 -0.762 5.017 407 HA ASN 57 HA ASN 57 5.820 -2.846 4.320 408 1HB ASN 57 HB2 ASN 57 5.522 -2.848 7.212 409 2HB ASN 57 HB1 ASN 57 4.410 -3.974 6.412 410 1HD2 ASN 57 HD21 ASN 57 7.312 -3.372 4.944 411 2HD2 ASN 57 HD22 ASN 57 8.010 -4.915 5.340 412 H PHE 58 H PHE 58 4.284 -1.436 2.991 413 HA PHE 58 HA PHE 58 1.633 -2.585 3.305 414 1HB PHE 58 HB2 PHE 58 0.443 -0.633 3.422 415 2HB PHE 58 HB1 PHE 58 1.948 0.052 4.004 416 HD1 PHE 58 HD1 PHE 58 3.209 1.572 2.568 417 HD2 PHE 58 HD2 PHE 58 -0.393 -0.179 1.244 418 HE1 PHE 58 HE1 PHE 58 3.055 3.277 0.695 419 HE2 PHE 58 HE2 PHE 58 -0.561 1.523 -0.578 420 HZ PHE 58 HZ PHE 58 1.188 3.206 -0.837 421 H LEU 59 H LEU 59 0.956 -3.456 1.561 422 HA LEU 59 HA LEU 59 2.535 -3.157 -0.861 423 1HB LEU 59 HB2 LEU 59 0.976 -5.323 0.358 424 2HB LEU 59 HB1 LEU 59 0.755 -5.200 -1.369 425 HG LEU 59 HG LEU 59 3.454 -5.478 -0.061 426 1HD1 LEU 59 HD11 LEU 59 1.952 -7.396 0.354 427 2HD1 LEU 59 HD12 LEU 59 3.275 -7.810 -0.740 428 3HD1 LEU 59 HD13 LEU 59 1.655 -7.497 -1.382 429 1HD2 LEU 59 HD21 LEU 59 2.466 -5.735 -2.913 430 2HD2 LEU 59 HD22 LEU 59 4.076 -6.144 -2.378 431 3HD2 LEU 59 HD23 LEU 59 3.525 -4.475 -2.287 432 H THR 60 H THR 60 1.652 -2.257 -2.598 433 HA THR 60 HA THR 60 -1.207 -1.741 -2.493 434 HB THR 60 HB THR 60 -0.155 0.244 -1.822 435 HG1 THR 60 HG1 THR 60 -1.841 0.422 -3.351 436 1HG2 THR 60 HG21 THR 60 1.598 1.420 -3.098 437 2HG2 THR 60 HG22 THR 60 1.615 0.107 -4.269 438 3HG2 THR 60 HG23 THR 60 2.089 -0.185 -2.597 439 H LYS 61 H LYS 61 -2.128 -1.265 -4.601 440 HA LYS 61 HA LYS 61 -1.415 -3.332 -6.382 441 1HB LYS 61 HB2 LYS 61 -3.713 -2.610 -5.966 442 2HB LYS 61 HB1 LYS 61 -3.383 -1.077 -6.752 443 1HG LYS 61 HG2 LYS 61 -2.947 -2.275 -8.866 444 2HG LYS 61 HG1 LYS 61 -3.324 -3.797 -8.060 445 1HD LYS 61 HD2 LYS 61 -5.231 -1.472 -8.350 446 2HD LYS 61 HD1 LYS 61 -5.230 -2.905 -9.373 447 1HE LYS 61 HE2 LYS 61 -5.738 -4.306 -7.448 448 2HE LYS 61 HE1 LYS 61 -5.662 -2.918 -6.374 449 1HZ LYS 61 HZ1 LYS 61 -7.964 -3.406 -6.918 450 2HZ LYS 61 HZ2 LYS 61 -7.635 -3.342 -8.551 451 3HZ LYS 61 HZ3 LYS 61 -7.525 -1.944 -7.627 452 H ARG 62 H ARG 62 -1.332 0.215 -6.795 453 HA ARG 62 HA ARG 62 0.225 -0.285 -9.224 454 1HB ARG 62 HB2 ARG 62 -0.456 1.741 -10.165 455 2HB ARG 62 HB1 ARG 62 -1.878 1.261 -9.268 456 1HG ARG 62 HG2 ARG 62 0.163 3.263 -8.311 457 2HG ARG 62 HG1 ARG 62 -1.315 3.709 -9.135 458 1HD ARG 62 HD2 ARG 62 -1.088 2.298 -6.490 459 2HD ARG 62 HD1 ARG 62 -1.424 4.009 -6.745 460 HE ARG 62 HE ARG 62 -3.459 3.030 -8.039 461 1HH1 ARG 62 HH11 ARG 62 -2.031 1.752 -5.019 462 2HH1 ARG 62 HH12 ARG 62 -3.539 1.209 -4.499 463 1HH2 ARG 62 HH21 ARG 62 -5.551 2.291 -7.077 464 2HH2 ARG 62 HH22 ARG 62 -5.432 1.528 -5.554 465 H TYR 63 H TYR 63 2.235 0.693 -9.621 466 HA TYR 63 HA TYR 63 3.729 0.995 -7.237 467 1HB TYR 63 HB2 TYR 63 5.758 1.308 -8.639 468 2HB TYR 63 HB1 TYR 63 4.832 -0.113 -9.076 469 HD1 TYR 63 HD1 TYR 63 5.418 3.438 -10.107 470 HD2 TYR 63 HD2 TYR 63 4.303 -0.485 -11.318 471 HE1 TYR 63 HE1 TYR 63 5.503 4.144 -12.460 472 HE2 TYR 63 HE2 TYR 63 4.374 0.218 -13.669 473 HH TYR 63 HH TYR 63 5.753 3.195 -14.644 474 H ASP 64 H ASP 64 2.003 3.212 -8.982 475 HA ASP 64 HA ASP 64 3.479 5.593 -8.638 476 1HB ASP 64 HB2 ASP 64 0.458 5.368 -8.472 477 2HB ASP 64 HB1 ASP 64 1.385 6.808 -8.841 478 H ALA 65 H ALA 65 1.461 3.788 -6.419 479 HA ALA 65 HA ALA 65 1.045 5.830 -4.516 480 1HB ALA 65 HB1 ALA 65 0.549 3.942 -2.964 481 2HB ALA 65 HB2 ALA 65 1.065 2.835 -4.256 482 3HB ALA 65 HB3 ALA 65 -0.322 3.884 -4.487 483 H LEU 66 H LEU 66 3.705 3.738 -5.062 484 HA LEU 66 HA LEU 66 5.026 4.306 -2.559 485 1HB LEU 66 HB2 LEU 66 6.133 3.089 -5.044 486 2HB LEU 66 HB1 LEU 66 6.921 3.084 -3.481 487 HG LEU 66 HG LEU 66 6.107 0.953 -3.692 488 1HD1 LEU 66 HD11 LEU 66 4.326 0.682 -2.065 489 2HD1 LEU 66 HD12 LEU 66 3.937 2.390 -2.227 490 3HD1 LEU 66 HD13 LEU 66 5.494 1.906 -1.540 491 1HD2 LEU 66 HD21 LEU 66 3.872 0.358 -4.472 492 2HD2 LEU 66 HD22 LEU 66 4.796 1.294 -5.659 493 3HD2 LEU 66 HD23 LEU 66 3.522 2.073 -4.723 494 H SER 67 H SER 67 4.982 5.489 -5.742 495 HA SER 67 HA SER 67 7.507 6.910 -5.777 496 1HB SER 67 HB2 SER 67 5.044 6.695 -7.340 497 2HB SER 67 HB1 SER 67 6.222 7.912 -7.823 498 HG SER 67 HG SER 67 6.179 5.079 -7.902 499 H GLU 68 H GLU 68 4.119 7.700 -5.485 500 HA GLU 68 HA GLU 68 4.590 10.460 -4.908 501 1HB GLU 68 HB2 GLU 68 2.045 9.270 -4.036 502 2HB GLU 68 HB1 GLU 68 2.412 10.749 -4.936 503 1HG GLU 68 HG2 GLU 68 2.880 9.297 -6.918 504 2HG GLU 68 HG1 GLU 68 2.320 7.980 -5.961 505 H HIS 69 H HIS 69 4.557 7.610 -3.211 506 HA HIS 69 HA HIS 69 3.577 8.133 -0.687 507 1HB HIS 69 HB2 HIS 69 4.623 6.000 -1.631 508 2HB HIS 69 HB1 HIS 69 6.142 6.684 -0.985 509 HD1 HIS 69 HD1 HIS 69 2.646 5.846 0.259 510 HD2 HIS 69 HD2 HIS 69 6.596 5.840 1.430 511 HE1 HIS 69 HE1 HIS 69 2.656 4.876 2.584 512 H ASN 70 H ASN 70 7.013 8.642 -1.564 513 HA ASN 70 HA ASN 70 7.578 10.154 0.826 514 1HB ASN 70 HB2 ASN 70 9.726 10.646 -0.292 515 2HB ASN 70 HB1 ASN 70 9.386 8.936 -0.183 516 1HD2 ASN 70 HD21 ASN 70 11.174 9.953 -1.820 517 2HD2 ASN 70 HD22 ASN 70 10.693 9.682 -3.497 518 H LEU 71 H LEU 71 6.038 10.945 -1.966 519 HA LEU 71 HA LEU 71 6.680 13.745 -1.923 520 1HB LEU 71 HB2 LEU 71 6.133 13.040 -4.059 521 2HB LEU 71 HB1 LEU 71 4.927 11.921 -3.486 522 HG LEU 71 HG LEU 71 3.370 13.723 -3.152 523 1HD1 LEU 71 HD11 LEU 71 5.528 15.483 -4.389 524 2HD1 LEU 71 HD12 LEU 71 4.938 15.600 -2.730 525 3HD1 LEU 71 HD13 LEU 71 3.870 15.989 -4.077 526 1HD2 LEU 71 HD21 LEU 71 2.968 14.217 -5.509 527 2HD2 LEU 71 HD22 LEU 71 3.411 12.533 -5.239 528 3HD2 LEU 71 HD23 LEU 71 4.595 13.663 -5.893 529 H LYS 72 H LYS 72 3.903 11.759 -1.037 530 HA LYS 72 HA LYS 72 2.826 14.069 0.397 531 1HB LYS 72 HB2 LYS 72 0.698 12.332 0.221 532 2HB LYS 72 HB1 LYS 72 0.958 13.723 -0.845 533 1HG LYS 72 HG2 LYS 72 2.257 12.038 -2.271 534 2HG LYS 72 HG1 LYS 72 1.548 10.799 -1.282 535 1HD LYS 72 HD2 LYS 72 0.032 12.814 -2.939 536 2HD LYS 72 HD1 LYS 72 0.244 11.099 -3.291 537 1HE LYS 72 HE2 LYS 72 -1.080 10.548 -1.245 538 2HE LYS 72 HE1 LYS 72 -1.264 12.265 -0.939 539 1HZ LYS 72 HZ1 LYS 72 -3.192 11.327 -2.003 540 2HZ LYS 72 HZ2 LYS 72 -2.281 10.839 -3.333 541 3HZ LYS 72 HZ3 LYS 72 -2.469 12.478 -3.002 542 H TYR 73 H TYR 73 3.428 10.715 0.749 543 HA TYR 73 HA TYR 73 2.282 10.530 3.400 544 1HB TYR 73 HB2 TYR 73 3.809 8.589 1.715 545 2HB TYR 73 HB1 TYR 73 3.160 8.172 3.307 546 HD1 TYR 73 HD1 TYR 73 1.988 9.701 0.099 547 HD2 TYR 73 HD2 TYR 73 1.178 6.957 3.238 548 HE1 TYR 73 HE1 TYR 73 -0.024 9.026 -1.037 549 HE2 TYR 73 HE2 TYR 73 -0.884 6.273 2.089 550 HH TYR 73 HH TYR 73 -2.436 7.461 0.474 551 H HIS 74 H HIS 74 5.571 10.062 2.020 552 HA HIS 74 HA HIS 74 6.691 10.781 4.695 553 1HB HIS 74 HB2 HIS 74 7.955 9.132 2.478 554 2HB HIS 74 HB1 HIS 74 8.810 9.640 3.913 555 HD1 HIS 74 HD1 HIS 74 9.022 7.749 5.554 556 HD2 HIS 74 HD2 HIS 74 5.671 7.426 3.149 557 HE1 HIS 74 HE1 HIS 74 8.117 5.464 5.978 558 HA PRO 75 HA PRO 75 7.858 14.145 1.624 559 1HB PRO 75 HB2 PRO 75 7.126 16.263 3.113 560 2HB PRO 75 HB1 PRO 75 5.951 15.347 2.162 561 1HG PRO 75 HG2 PRO 75 6.593 15.087 5.086 562 2HG PRO 75 HG1 PRO 75 4.999 15.183 4.309 563 1HD PRO 75 HD2 PRO 75 6.095 12.815 5.035 564 2HD PRO 75 HD1 PRO 75 5.077 13.007 3.590 565 H GLY 76 H GLY 76 9.542 15.603 1.653 566 1HA GLY 76 HA2 GLY 76 11.077 16.795 3.385 567 2HA GLY 76 HA1 GLY 76 11.548 15.129 3.717 568 H GLU 77 H GLU 77 11.463 14.046 1.212 569 HA GLU 77 HA GLU 77 12.971 15.526 -0.709 570 1HB GLU 77 HB2 GLU 77 14.929 14.002 -0.669 571 2HB GLU 77 HB1 GLU 77 14.829 15.023 0.759 572 1HG GLU 77 HG2 GLU 77 14.240 13.257 2.127 573 2HG GLU 77 HG1 GLU 77 13.696 12.271 0.769 574 H GLU 78 H GLU 78 13.688 13.858 -2.463 575 HA GLU 78 HA GLU 78 11.685 11.714 -2.509 576 1HB GLU 78 HB2 GLU 78 11.061 13.654 -3.966 577 2HB GLU 78 HB1 GLU 78 12.608 13.382 -4.782 578 1HG GLU 78 HG2 GLU 78 11.894 11.239 -5.555 579 2HG GLU 78 HG1 GLU 78 10.383 11.357 -4.653 580 H ASN 79 H ASN 79 13.174 10.149 -1.930 581 HA ASN 79 HA ASN 79 14.994 9.266 -4.016 582 1HB ASN 79 HB2 ASN 79 15.958 9.869 -1.212 583 2HB ASN 79 HB1 ASN 79 16.916 9.022 -2.427 584 1HD2 ASN 79 HD21 ASN 79 15.623 11.959 -1.344 585 2HD2 ASN 79 HD22 ASN 79 16.365 13.058 -2.456 586 H PHE 80 H PHE 80 13.742 7.460 -4.161 587 HA PHE 80 HA PHE 80 13.548 5.755 -1.787 588 1HB PHE 80 HB2 PHE 80 11.735 6.244 -4.057 589 2HB PHE 80 HB1 PHE 80 12.071 4.544 -3.783 590 HD1 PHE 80 HD1 PHE 80 11.636 3.638 -1.440 591 HD2 PHE 80 HD2 PHE 80 10.159 7.367 -2.796 592 HE1 PHE 80 HE1 PHE 80 9.839 3.519 0.218 593 HE2 PHE 80 HE2 PHE 80 8.369 7.263 -1.092 594 HZ PHE 80 HZ PHE 80 8.205 5.327 0.390 595 H LYS 81 H LYS 81 14.107 3.527 -2.033 596 HA LYS 81 HA LYS 81 15.789 2.904 -4.374 597 1HB LYS 81 HB2 LYS 81 17.390 2.011 -2.947 598 2HB LYS 81 HB1 LYS 81 16.614 3.124 -1.806 599 1HG LYS 81 HG2 LYS 81 15.266 1.377 -0.911 600 2HG LYS 81 HG1 LYS 81 15.862 0.245 -2.115 601 1HD LYS 81 HD2 LYS 81 18.177 0.757 -1.137 602 2HD LYS 81 HD1 LYS 81 17.249 1.441 0.214 603 1HE LYS 81 HE2 LYS 81 16.034 -0.662 0.448 604 2HE LYS 81 HE1 LYS 81 16.963 -1.322 -0.895 605 1HZ LYS 81 HZ1 LYS 81 18.979 -1.147 0.436 606 2HZ LYS 81 HZ2 LYS 81 17.833 -2.031 1.308 607 3HZ LYS 81 HZ3 LYS 81 18.131 -0.429 1.704 608 H LEU 82 H LEU 82 15.700 0.368 -4.760 609 HA LEU 82 HA LEU 82 13.216 -0.686 -3.736 610 1HB LEU 82 HB2 LEU 82 12.670 -1.745 -5.872 611 2HB LEU 82 HB1 LEU 82 12.687 -0.005 -6.021 612 HG LEU 82 HG LEU 82 15.076 -1.613 -6.823 613 1HD1 LEU 82 HD11 LEU 82 13.121 -2.576 -8.007 614 2HD1 LEU 82 HD12 LEU 82 14.144 -1.672 -9.124 615 3HD1 LEU 82 HD13 LEU 82 12.643 -0.962 -8.531 616 1HD2 LEU 82 HD21 LEU 82 15.409 0.247 -8.363 617 2HD2 LEU 82 HD22 LEU 82 15.316 0.800 -6.688 618 3HD2 LEU 82 HD23 LEU 82 13.934 1.008 -7.772 619 H THR 83 H THR 83 13.313 -2.703 -3.119 620 HA THR 83 HA THR 83 15.658 -4.285 -3.744 621 HB THR 83 HB THR 83 16.225 -3.178 -1.672 622 HG1 THR 83 HG1 THR 83 16.578 -5.511 -1.815 623 1HG2 THR 83 HG21 THR 83 13.968 -2.466 -0.987 624 2HG2 THR 83 HG22 THR 83 14.848 -3.196 0.345 625 3HG2 THR 83 HG23 THR 83 13.604 -4.125 -0.501 626 H MET 84 H MET 84 14.871 -6.440 -4.289 627 HA MET 84 HA MET 84 12.002 -6.732 -3.661 628 1HB MET 84 HB2 MET 84 12.774 -7.023 -6.022 629 2HB MET 84 HB1 MET 84 13.793 -8.337 -5.460 630 1HG MET 84 HG2 MET 84 11.822 -9.631 -4.846 631 2HG MET 84 HG1 MET 84 10.783 -8.310 -5.387 632 1HE MET 84 HE1 MET 84 10.479 -11.307 -6.516 633 2HE MET 84 HE2 MET 84 10.230 -10.961 -8.228 634 3HE MET 84 HE3 MET 84 9.464 -9.951 -7.000 635 H VAL 85 H VAL 85 11.882 -7.457 -1.694 636 HA VAL 85 HA VAL 85 12.726 -10.130 -1.234 637 HB VAL 85 HB VAL 85 13.398 -9.359 1.219 638 1HG1 VAL 85 HG11 VAL 85 14.941 -10.501 -0.289 639 2HG1 VAL 85 HG12 VAL 85 15.776 -9.173 0.528 640 3HG1 VAL 85 HG13 VAL 85 15.230 -8.987 -1.142 641 1HG2 VAL 85 HG21 VAL 85 14.061 -6.897 -0.401 642 2HG2 VAL 85 HG22 VAL 85 14.581 -7.198 1.259 643 3HG2 VAL 85 HG23 VAL 85 12.864 -6.982 0.894 644 H LYS 86 H LYS 86 10.663 -10.959 -0.843 645 HA LYS 86 HA LYS 86 9.433 -9.692 1.432 646 1HB LYS 86 HB2 LYS 86 8.300 -8.914 -0.763 647 2HB LYS 86 HB1 LYS 86 7.648 -10.554 -0.816 648 1HG LYS 86 HG2 LYS 86 6.034 -9.067 0.095 649 2HG LYS 86 HG1 LYS 86 6.561 -10.211 1.319 650 1HD LYS 86 HD2 LYS 86 7.797 -8.637 2.508 651 2HD LYS 86 HD1 LYS 86 8.022 -7.610 1.106 652 1HE LYS 86 HE2 LYS 86 5.850 -6.633 1.354 653 2HE LYS 86 HE1 LYS 86 5.321 -7.890 2.471 654 1HZ LYS 86 HZ1 LYS 86 7.463 -5.907 2.895 655 2HZ LYS 86 HZ2 LYS 86 6.973 -7.068 4.027 656 3HZ LYS 86 HZ3 LYS 86 5.899 -5.838 3.573 657 H ARG 87 H ARG 87 8.974 -11.132 2.892 658 HA ARG 87 HA ARG 87 9.434 -13.847 1.945 659 1HB ARG 87 HB2 ARG 87 10.321 -12.590 4.554 660 2HB ARG 87 HB1 ARG 87 10.563 -14.269 4.098 661 1HG ARG 87 HG2 ARG 87 12.660 -13.240 3.666 662 2HG ARG 87 HG1 ARG 87 11.862 -13.370 2.097 663 1HD ARG 87 HD2 ARG 87 12.923 -11.194 2.273 664 2HD ARG 87 HD1 ARG 87 11.181 -11.027 2.222 665 HE ARG 87 HE ARG 87 12.277 -11.085 4.889 666 1HH1 ARG 87 HH11 ARG 87 11.343 -8.856 2.217 667 2HH1 ARG 87 HH12 ARG 87 11.226 -7.503 3.147 668 1HH2 ARG 87 HH21 ARG 87 12.114 -9.178 6.216 669 2HH2 ARG 87 HH22 ARG 87 11.686 -7.675 5.547 670 H ASN 88 H ASN 88 8.272 -15.474 2.787 671 HA ASN 88 HA ASN 88 6.702 -16.646 3.866 672 1HB ASN 88 HB2 ASN 88 6.251 -14.248 5.674 673 2HB ASN 88 HB1 ASN 88 5.590 -15.852 5.928 674 1HD2 ASN 88 HD21 ASN 88 8.294 -13.806 6.263 675 2HD2 ASN 88 HD22 ASN 88 9.345 -14.901 7.073 676 H ASN 89 H ASN 89 6.143 -14.396 1.796 677 HA ASN 89 HA ASN 89 3.235 -14.802 1.856 678 1HB ASN 89 HB2 ASN 89 4.465 -12.080 1.263 679 2HB ASN 89 HB1 ASN 89 2.759 -12.480 1.224 680 1HD2 ASN 89 HD21 ASN 89 5.488 -11.700 3.185 681 2HD2 ASN 89 HD22 ASN 89 4.635 -11.515 4.661 682 H GLN 90 H GLN 90 5.303 -12.784 -0.164 683 HA GLN 90 HA GLN 90 5.455 -14.648 -2.317 684 1HB GLN 90 HB2 GLN 90 4.376 -13.314 -3.964 685 2HB GLN 90 HB1 GLN 90 3.186 -13.453 -2.666 686 1HG GLN 90 HG2 GLN 90 5.007 -11.095 -2.897 687 2HG GLN 90 HG1 GLN 90 3.580 -11.208 -3.909 688 1HE2 GLN 90 HE21 GLN 90 4.831 -10.723 -0.745 689 2HE2 GLN 90 HE22 GLN 90 3.355 -10.176 -0.016 690 H THR 91 H THR 91 6.848 -13.498 -3.990 691 HA THR 91 HA THR 91 8.532 -11.604 -2.577 692 HB THR 91 HB THR 91 10.106 -11.984 -4.539 693 HG1 THR 91 HG1 THR 91 8.218 -13.118 -5.629 694 1HG2 THR 91 HG21 THR 91 11.005 -14.055 -3.513 695 2HG2 THR 91 HG22 THR 91 9.471 -14.282 -2.672 696 3HG2 THR 91 HG23 THR 91 10.487 -12.921 -2.268 697 H ILE 92 H ILE 92 8.208 -9.637 -2.850 698 HA ILE 92 HA ILE 92 7.461 -8.497 -5.354 699 HB ILE 92 HB ILE 92 5.923 -6.902 -4.070 700 1HG1 ILE 92 HG12 ILE 92 4.772 -8.169 -2.128 701 2HG1 ILE 92 HG11 ILE 92 6.292 -9.038 -2.072 702 1HG2 ILE 92 HG21 ILE 92 5.005 -8.441 -5.641 703 2HG2 ILE 92 HG22 ILE 92 3.992 -8.427 -4.189 704 3HG2 ILE 92 HG23 ILE 92 5.115 -9.755 -4.474 705 1HD1 ILE 92 HD11 ILE 92 6.259 -7.138 -0.532 706 2HD1 ILE 92 HD12 ILE 92 6.090 -6.048 -1.910 707 3HD1 ILE 92 HD13 ILE 92 7.533 -7.036 -1.736 708 H PHE 93 H PHE 93 7.786 -6.068 -5.341 709 HA PHE 93 HA PHE 93 10.552 -5.827 -4.480 710 1HB PHE 93 HB2 PHE 93 8.762 -4.070 -6.152 711 2HB PHE 93 HB1 PHE 93 10.459 -3.769 -5.890 712 HD1 PHE 93 HD1 PHE 93 12.102 -5.097 -7.010 713 HD2 PHE 93 HD2 PHE 93 7.959 -5.775 -7.645 714 HE1 PHE 93 HE1 PHE 93 12.631 -6.380 -9.064 715 HE2 PHE 93 HE2 PHE 93 8.464 -7.069 -9.680 716 HZ PHE 93 HZ PHE 93 10.807 -7.368 -10.394 717 H GLU 94 H GLU 94 11.013 -4.746 -2.638 718 HA GLU 94 HA GLU 94 8.966 -3.151 -1.407 719 1HB GLU 94 HB2 GLU 94 11.631 -4.097 -0.297 720 2HB GLU 94 HB1 GLU 94 10.339 -3.340 0.603 721 1HG GLU 94 HG2 GLU 94 8.990 -5.393 -0.307 722 2HG GLU 94 HG1 GLU 94 10.599 -6.127 -0.304 723 H GLN 95 H GLN 95 9.333 -1.030 -1.005 724 HA GLN 95 HA GLN 95 11.693 0.104 -2.337 725 1HB GLN 95 HB2 GLN 95 9.256 0.325 -3.321 726 2HB GLN 95 HB1 GLN 95 9.092 1.573 -2.091 727 1HG GLN 95 HG2 GLN 95 10.965 2.770 -3.010 728 2HG GLN 95 HG1 GLN 95 11.246 1.469 -4.162 729 1HE2 GLN 95 HE21 GLN 95 9.271 4.163 -3.307 730 2HE2 GLN 95 HE22 GLN 95 8.478 4.318 -4.830 731 H THR 96 H THR 96 13.036 0.956 -0.828 732 HA THR 96 HA THR 96 11.905 1.998 1.688 733 HB THR 96 HB THR 96 14.723 1.643 1.820 734 HG1 THR 96 HG1 THR 96 14.142 -0.883 1.597 735 1HG2 THR 96 HG21 THR 96 12.448 0.115 3.094 736 2HG2 THR 96 HG22 THR 96 13.146 1.585 3.696 737 3HG2 THR 96 HG23 THR 96 14.120 0.112 3.647 738 H ILE 97 H ILE 97 13.017 3.834 2.607 739 HA ILE 97 HA ILE 97 14.152 5.613 0.534 740 HB ILE 97 HB ILE 97 13.087 6.506 3.229 741 1HG1 ILE 97 HG12 ILE 97 11.440 6.561 0.736 742 2HG1 ILE 97 HG11 ILE 97 11.452 5.086 1.682 743 1HG2 ILE 97 HG21 ILE 97 13.211 7.892 0.531 744 2HG2 ILE 97 HG22 ILE 97 14.501 7.957 1.706 745 3HG2 ILE 97 HG23 ILE 97 12.941 8.631 2.117 746 1HD1 ILE 97 HD11 ILE 97 9.571 6.206 2.344 747 2HD1 ILE 97 HD12 ILE 97 10.330 7.773 2.329 748 3HD1 ILE 97 HD13 ILE 97 10.721 6.596 3.619 749 H ASN 98 H ASN 98 15.890 6.882 1.161 750 HA ASN 98 HA ASN 98 17.694 5.494 2.945 751 1HB ASN 98 HB2 ASN 98 19.363 7.051 1.782 752 2HB ASN 98 HB1 ASN 98 18.625 5.802 0.779 753 1HD2 ASN 98 HD21 ASN 98 17.148 8.894 1.803 754 2HD2 ASN 98 HD22 ASN 98 17.015 9.550 0.246 755 H ASP 99 H ASP 99 15.476 7.701 3.443 756 HA ASP 99 HA ASP 99 17.066 9.236 5.367 757 1HB ASP 99 HB2 ASP 99 17.156 10.297 3.086 758 2HB ASP 99 HB1 ASP 99 15.470 10.626 3.290 759 H LEU 100 H LEU 100 13.991 9.282 3.613 760 HA LEU 100 HA LEU 100 12.406 10.307 5.788 761 1HB LEU 100 HB2 LEU 100 11.400 8.978 3.275 762 2HB LEU 100 HB1 LEU 100 10.650 10.183 4.276 763 HG LEU 100 HG LEU 100 13.155 10.988 2.906 764 1HD1 LEU 100 HD11 LEU 100 11.772 11.588 0.939 765 2HD1 LEU 100 HD12 LEU 100 10.442 10.660 1.641 766 3HD1 LEU 100 HD13 LEU 100 11.919 9.849 1.143 767 1HD2 LEU 100 HD21 LEU 100 11.878 12.438 4.473 768 2HD2 LEU 100 HD22 LEU 100 10.515 12.305 3.324 769 3HD2 LEU 100 HD23 LEU 100 12.014 13.052 2.818 770 H THR 101 H THR 101 13.832 7.646 5.823 771 HA THR 101 HA THR 101 12.364 5.367 5.686 772 HB THR 101 HB THR 101 14.473 6.062 7.728 773 HG1 THR 101 HG1 THR 101 14.745 5.210 5.030 774 1HG2 THR 101 HG21 THR 101 13.905 3.522 6.204 775 2HG2 THR 101 HG22 THR 101 13.449 3.797 7.891 776 3HG2 THR 101 HG23 THR 101 15.156 3.737 7.426 777 H PHE 102 H PHE 102 12.370 7.819 8.237 778 HA PHE 102 HA PHE 102 10.657 6.117 9.891 779 1HB PHE 102 HB2 PHE 102 12.287 8.541 10.677 780 2HB PHE 102 HB1 PHE 102 11.267 7.597 11.759 781 HD1 PHE 102 HD1 PHE 102 14.463 7.795 10.053 782 HD2 PHE 102 HD2 PHE 102 11.903 5.294 12.351 783 HE1 PHE 102 HE1 PHE 102 16.361 6.299 10.526 784 HE2 PHE 102 HE2 PHE 102 13.792 3.797 12.833 785 HZ PHE 102 HZ PHE 102 16.023 4.297 11.923 Start of MODEL 9 1 HA MET 1 HA MET 1 -15.372 4.023 16.097 2 1HB MET 1 HB2 MET 1 -15.552 5.356 13.377 3 2HB MET 1 HB1 MET 1 -16.410 5.922 14.794 4 1HG MET 1 HG2 MET 1 -14.481 7.275 14.594 5 2HG MET 1 HG1 MET 1 -14.176 6.164 15.924 6 1HE MET 1 HE1 MET 1 -12.208 6.040 11.758 7 2HE MET 1 HE2 MET 1 -13.147 7.390 12.388 8 3HE MET 1 HE3 MET 1 -13.951 5.877 11.973 9 H ALA 2 H ALA 2 -16.819 3.661 12.836 10 HA ALA 2 HA ALA 2 -19.240 2.745 14.110 11 1HB ALA 2 HB1 ALA 2 -19.386 4.272 12.196 12 2HB ALA 2 HB2 ALA 2 -20.137 2.722 11.817 13 3HB ALA 2 HB3 ALA 2 -18.536 3.097 11.193 14 H HIS 3 H HIS 3 -20.021 0.653 13.948 15 HA HIS 3 HA HIS 3 -17.926 -1.284 13.470 16 1HB HIS 3 HB2 HIS 3 -20.584 -1.541 14.864 17 2HB HIS 3 HB1 HIS 3 -19.549 -2.927 14.533 18 HD1 HIS 3 HD1 HIS 3 -17.726 -3.381 16.210 19 HD2 HIS 3 HD2 HIS 3 -19.324 0.433 16.584 20 HE1 HIS 3 HE1 HIS 3 -16.669 -2.374 18.267 21 H HIS 4 H HIS 4 -19.931 0.082 11.547 22 HA HIS 4 HA HIS 4 -19.901 -2.169 9.731 23 1HB HIS 4 HB2 HIS 4 -22.316 -0.392 10.231 24 2HB HIS 4 HB1 HIS 4 -22.124 -1.351 8.777 25 HD1 HIS 4 HD1 HIS 4 -24.226 -1.540 11.414 26 HD2 HIS 4 HD2 HIS 4 -21.324 -4.197 10.077 27 HE1 HIS 4 HE1 HIS 4 -24.893 -3.807 12.280 28 H HIS 5 H HIS 5 -19.467 -1.509 7.652 29 HA HIS 5 HA HIS 5 -18.454 1.207 7.444 30 1HB HIS 5 HB2 HIS 5 -18.129 -1.207 5.666 31 2HB HIS 5 HB1 HIS 5 -17.590 0.396 5.186 32 HD1 HIS 5 HD1 HIS 5 -15.470 1.307 6.320 33 HD2 HIS 5 HD2 HIS 5 -16.624 -2.445 7.652 34 HE1 HIS 5 HE1 HIS 5 -13.516 0.406 7.663 35 H HIS 6 H HIS 6 -18.735 2.198 5.192 36 HA HIS 6 HA HIS 6 -21.588 2.445 4.812 37 1HB HIS 6 HB2 HIS 6 -20.074 4.441 4.986 38 2HB HIS 6 HB1 HIS 6 -19.292 3.932 3.501 39 HD1 HIS 6 HD1 HIS 6 -20.032 6.359 2.624 40 HD2 HIS 6 HD2 HIS 6 -23.125 3.700 3.367 41 HE1 HIS 6 HE1 HIS 6 -22.060 7.336 1.532 42 H HIS 7 H HIS 7 -22.654 1.803 2.940 43 HA HIS 7 HA HIS 7 -21.478 -0.260 1.416 44 1HB HIS 7 HB2 HIS 7 -23.603 -0.310 0.145 45 2HB HIS 7 HB1 HIS 7 -23.855 -0.342 1.883 46 HD1 HIS 7 HD1 HIS 7 -25.216 1.638 2.888 47 HD2 HIS 7 HD2 HIS 7 -24.446 2.004 -1.178 48 HE1 HIS 7 HE1 HIS 7 -26.674 3.513 2.059 49 H HIS 8 H HIS 8 -21.282 3.046 1.003 50 HA HIS 8 HA HIS 8 -20.761 2.815 -1.837 51 1HB HIS 8 HB2 HIS 8 -20.800 5.206 0.013 52 2HB HIS 8 HB1 HIS 8 -20.192 5.305 -1.637 53 HD1 HIS 8 HD1 HIS 8 -23.318 5.520 0.303 54 HD2 HIS 8 HD2 HIS 8 -22.214 4.691 -3.619 55 HE1 HIS 8 HE1 HIS 8 -25.383 5.825 -1.078 56 H ASN 9 H ASN 9 -18.813 2.929 -2.718 57 HA ASN 9 HA ASN 9 -16.631 2.167 -0.973 58 1HB ASN 9 HB2 ASN 9 -16.892 2.213 -3.984 59 2HB ASN 9 HB1 ASN 9 -15.438 1.703 -3.144 60 1HD2 ASN 9 HD21 ASN 9 -18.708 0.901 -3.965 61 2HD2 ASN 9 HD22 ASN 9 -18.655 -0.739 -3.446 62 H GLN 10 H GLN 10 -14.458 3.077 -1.401 63 HA GLN 10 HA GLN 10 -14.627 5.879 -1.120 64 1HB GLN 10 HB2 GLN 10 -12.080 5.807 -1.110 65 2HB GLN 10 HB1 GLN 10 -12.899 4.898 0.145 66 1HG GLN 10 HG2 GLN 10 -12.469 2.844 -1.016 67 2HG GLN 10 HG1 GLN 10 -11.746 3.715 -2.377 68 1HE2 GLN 10 HE21 GLN 10 -9.693 4.520 -2.163 69 2HE2 GLN 10 HE22 GLN 10 -8.644 4.123 -0.861 70 H GLN 11 H GLN 11 -14.165 7.502 -2.395 71 HA GLN 11 HA GLN 11 -14.538 7.262 -5.162 72 1HB GLN 11 HB2 GLN 11 -15.078 9.296 -3.885 73 2HB GLN 11 HB1 GLN 11 -13.368 9.544 -3.564 74 1HG GLN 11 HG2 GLN 11 -14.085 11.041 -5.306 75 2HG GLN 11 HG1 GLN 11 -12.986 9.837 -5.969 76 1HE2 GLN 11 HE21 GLN 11 -16.262 10.938 -5.849 77 2HE2 GLN 11 HE22 GLN 11 -16.822 10.053 -7.218 78 H ASN 12 H ASN 12 -11.649 7.733 -3.189 79 HA ASN 12 HA ASN 12 -9.962 7.772 -5.475 80 1HB ASN 12 HB2 ASN 12 -9.275 7.491 -2.542 81 2HB ASN 12 HB1 ASN 12 -8.063 7.409 -3.813 82 1HD2 ASN 12 HD21 ASN 12 -10.043 9.427 -1.906 83 2HD2 ASN 12 HD22 ASN 12 -9.474 10.934 -2.534 84 H LYS 13 H LYS 13 -9.700 6.174 -6.660 85 HA LYS 13 HA LYS 13 -9.818 3.429 -5.730 86 1HB LYS 13 HB2 LYS 13 -9.130 4.642 -8.411 87 2HB LYS 13 HB1 LYS 13 -9.381 2.927 -8.112 88 1HG LYS 13 HG2 LYS 13 -11.694 3.252 -7.638 89 2HG LYS 13 HG1 LYS 13 -11.505 5.002 -7.633 90 1HD LYS 13 HD2 LYS 13 -11.005 3.259 -10.037 91 2HD LYS 13 HD1 LYS 13 -12.543 4.070 -9.712 92 1HE LYS 13 HE2 LYS 13 -11.392 6.236 -9.758 93 2HE LYS 13 HE1 LYS 13 -9.863 5.419 -10.086 94 1HZ LYS 13 HZ1 LYS 13 -12.241 5.385 -11.858 95 2HZ LYS 13 HZ2 LYS 13 -10.770 4.641 -12.181 96 3HZ LYS 13 HZ3 LYS 13 -10.859 6.305 -12.091 97 H LYS 14 H LYS 14 -7.713 5.972 -6.327 98 HA LYS 14 HA LYS 14 -5.272 4.449 -6.250 99 1HB LYS 14 HB2 LYS 14 -6.037 7.283 -6.689 100 2HB LYS 14 HB1 LYS 14 -4.441 6.964 -6.045 101 1HG LYS 14 HG2 LYS 14 -5.473 5.689 -8.563 102 2HG LYS 14 HG1 LYS 14 -4.606 7.225 -8.550 103 1HD LYS 14 HD2 LYS 14 -3.524 4.635 -7.424 104 2HD LYS 14 HD1 LYS 14 -3.142 5.260 -9.035 105 1HE LYS 14 HE2 LYS 14 -2.507 6.541 -6.361 106 2HE LYS 14 HE1 LYS 14 -1.383 5.723 -7.427 107 1HZ LYS 14 HZ1 LYS 14 -1.666 7.506 -9.077 108 2HZ LYS 14 HZ2 LYS 14 -1.297 8.208 -7.585 109 3HZ LYS 14 HZ3 LYS 14 -2.860 8.222 -8.134 110 H VAL 15 H VAL 15 -3.646 5.670 -4.770 111 HA VAL 15 HA VAL 15 -4.483 5.122 -2.098 112 HB VAL 15 HB VAL 15 -2.206 4.772 -3.483 113 1HG1 VAL 15 HG11 VAL 15 -1.723 7.353 -2.115 114 2HG1 VAL 15 HG12 VAL 15 -1.653 7.032 -3.848 115 3HG1 VAL 15 HG13 VAL 15 -0.437 6.327 -2.759 116 1HG2 VAL 15 HG21 VAL 15 -2.656 3.796 -1.292 117 2HG2 VAL 15 HG22 VAL 15 -2.168 5.322 -0.529 118 3HG2 VAL 15 HG23 VAL 15 -0.998 4.370 -1.429 119 H GLU 16 H GLU 16 -4.914 6.773 -0.530 120 HA GLU 16 HA GLU 16 -4.514 9.494 -1.495 121 1HB GLU 16 HB2 GLU 16 -6.546 10.188 -0.193 122 2HB GLU 16 HB1 GLU 16 -6.874 9.139 -1.561 123 1HG GLU 16 HG2 GLU 16 -7.109 7.260 -0.111 124 2HG GLU 16 HG1 GLU 16 -6.655 8.226 1.279 125 H GLY 17 H GLY 17 -5.015 7.746 1.570 126 1HA GLY 17 HA2 GLY 17 -2.699 8.913 2.691 127 2HA GLY 17 HA1 GLY 17 -4.160 9.648 3.340 128 H GLY 18 H GLY 18 -2.143 7.024 3.304 129 1HA GLY 18 HA2 GLY 18 -2.316 5.944 5.621 130 2HA GLY 18 HA1 GLY 18 -3.898 5.437 5.037 131 H TYR 19 H TYR 19 -3.424 3.222 5.136 132 HA TYR 19 HA TYR 19 -1.409 2.260 3.187 133 1HB TYR 19 HB2 TYR 19 -2.513 0.757 5.520 134 2HB TYR 19 HB1 TYR 19 -1.071 0.398 4.574 135 HD1 TYR 19 HD1 TYR 19 0.633 2.580 4.608 136 HD2 TYR 19 HD2 TYR 19 -2.090 1.409 7.644 137 HE1 TYR 19 HE1 TYR 19 1.962 3.814 6.269 138 HE2 TYR 19 HE2 TYR 19 -0.832 2.591 9.283 139 HH TYR 19 HH TYR 19 1.564 4.869 8.448 140 H GLU 20 H GLU 20 -2.093 1.570 1.562 141 HA GLU 20 HA GLU 20 -4.846 0.694 1.393 142 1HB GLU 20 HB2 GLU 20 -4.040 2.438 -0.152 143 2HB GLU 20 HB1 GLU 20 -2.765 1.362 -0.687 144 1HG GLU 20 HG2 GLU 20 -4.541 -0.218 -1.443 145 2HG GLU 20 HG1 GLU 20 -5.714 1.056 -1.102 146 H CYS 21 H CYS 21 -5.188 -1.307 0.943 147 HA CYS 21 HA CYS 21 -3.137 -3.345 1.035 148 1HB CYS 21 HB2 CYS 21 -5.981 -3.535 0.141 149 2HB CYS 21 HB1 CYS 21 -4.954 -4.918 0.520 150 H LYS 22 H LYS 22 -2.308 -4.524 -0.765 151 HA LYS 22 HA LYS 22 -2.863 -3.566 -3.408 152 1HB LYS 22 HB2 LYS 22 -0.611 -4.388 -2.903 153 2HB LYS 22 HB1 LYS 22 -1.244 -5.940 -2.385 154 1HG LYS 22 HG2 LYS 22 -1.752 -5.078 -5.181 155 2HG LYS 22 HG1 LYS 22 -0.111 -5.622 -4.764 156 1HD LYS 22 HD2 LYS 22 -0.892 -7.781 -4.267 157 2HD LYS 22 HD1 LYS 22 -2.560 -7.233 -4.105 158 1HE LYS 22 HE2 LYS 22 -2.323 -8.469 -6.142 159 2HE LYS 22 HE1 LYS 22 -2.619 -6.780 -6.527 160 1HZ LYS 22 HZ1 LYS 22 -0.964 -7.484 -7.966 161 2HZ LYS 22 HZ2 LYS 22 -0.158 -8.365 -6.854 162 3HZ LYS 22 HZ3 LYS 22 -0.025 -6.690 -6.802 163 H TYR 23 H TYR 23 -4.337 -5.642 -1.268 164 HA TYR 23 HA TYR 23 -5.193 -7.550 -3.286 165 1HB TYR 23 HB2 TYR 23 -5.857 -8.088 -0.463 166 2HB TYR 23 HB1 TYR 23 -5.138 -9.113 -1.709 167 HD1 TYR 23 HD1 TYR 23 -2.655 -8.907 -2.182 168 HD2 TYR 23 HD2 TYR 23 -4.516 -7.115 1.199 169 HE1 TYR 23 HE1 TYR 23 -0.467 -8.710 -1.075 170 HE2 TYR 23 HE2 TYR 23 -2.340 -6.914 2.306 171 HH TYR 23 HH TYR 23 -0.153 -7.996 2.217 172 H CYS 24 H CYS 24 -6.278 -4.718 -2.206 173 HA CYS 24 HA CYS 24 -8.910 -5.148 -3.044 174 1HB CYS 24 HB2 CYS 24 -10.116 -4.733 -0.942 175 2HB CYS 24 HB1 CYS 24 -9.054 -6.140 -0.809 176 H THR 25 H THR 25 -10.012 -3.086 -3.216 177 HA THR 25 HA THR 25 -8.127 -0.896 -3.136 178 HB THR 25 HB THR 25 -10.972 -0.928 -4.212 179 HG1 THR 25 HG1 THR 25 -8.563 -1.835 -5.197 180 1HG2 THR 25 HG21 THR 25 -8.647 0.951 -4.753 181 2HG2 THR 25 HG22 THR 25 -10.057 1.329 -3.768 182 3HG2 THR 25 HG23 THR 25 -10.243 1.044 -5.500 183 H PHE 26 H PHE 26 -8.144 -1.056 -0.786 184 HA PHE 26 HA PHE 26 -10.051 0.791 0.322 185 1HB PHE 26 HB2 PHE 26 -11.082 -1.496 0.654 186 2HB PHE 26 HB1 PHE 26 -9.675 -1.925 1.621 187 HD1 PHE 26 HD1 PHE 26 -12.664 0.197 1.438 188 HD2 PHE 26 HD2 PHE 26 -9.442 -1.135 3.883 189 HE1 PHE 26 HE1 PHE 26 -13.770 1.154 3.413 190 HE2 PHE 26 HE2 PHE 26 -10.546 -0.178 5.862 191 HZ PHE 26 HZ PHE 26 -12.710 0.966 5.626 192 H GLN 27 H GLN 27 -9.155 1.923 1.952 193 HA GLN 27 HA GLN 27 -6.435 1.199 2.714 194 1HB GLN 27 HB2 GLN 27 -6.074 2.716 1.016 195 2HB GLN 27 HB1 GLN 27 -7.459 3.697 1.466 196 1HG GLN 27 HG2 GLN 27 -6.289 4.663 3.269 197 2HG GLN 27 HG1 GLN 27 -5.003 3.457 3.153 198 1HE2 GLN 27 HE21 GLN 27 -3.500 3.706 1.755 199 2HE2 GLN 27 HE22 GLN 27 -3.243 5.084 0.732 200 H THR 28 H THR 28 -5.760 1.741 4.708 201 HA THR 28 HA THR 28 -7.374 3.500 6.320 202 HB THR 28 HB THR 28 -8.207 1.313 7.021 203 HG1 THR 28 HG1 THR 28 -7.963 2.699 8.769 204 1HG2 THR 28 HG21 THR 28 -6.739 -0.432 7.924 205 2HG2 THR 28 HG22 THR 28 -5.345 0.575 7.641 206 3HG2 THR 28 HG23 THR 28 -6.259 -0.052 6.266 207 HA PRO 29 HA PRO 29 -3.186 4.961 7.057 208 1HB PRO 29 HB2 PRO 29 -3.908 6.978 8.745 209 2HB PRO 29 HB1 PRO 29 -3.998 7.086 6.979 210 1HG PRO 29 HG2 PRO 29 -6.161 6.517 8.953 211 2HG PRO 29 HG1 PRO 29 -6.195 7.537 7.500 212 1HD PRO 29 HD2 PRO 29 -7.251 5.045 7.521 213 2HD PRO 29 HD1 PRO 29 -6.458 5.712 6.076 214 H ASP 30 H ASP 30 -5.172 3.400 9.148 215 HA ASP 30 HA ASP 30 -3.282 3.651 11.352 216 1HB ASP 30 HB2 ASP 30 -6.061 2.510 11.225 217 2HB ASP 30 HB1 ASP 30 -5.002 2.282 12.613 218 H LEU 31 H LEU 31 -1.663 2.316 11.209 219 HA LEU 31 HA LEU 31 -1.382 0.067 9.670 220 1HB LEU 31 HB2 LEU 31 0.272 1.494 11.174 221 2HB LEU 31 HB1 LEU 31 -0.038 0.238 12.346 222 HG LEU 31 HG LEU 31 2.028 -0.273 11.256 223 1HD1 LEU 31 HD11 LEU 31 1.621 -2.423 10.196 224 2HD1 LEU 31 HD12 LEU 31 -0.092 -1.978 10.074 225 3HD1 LEU 31 HD13 LEU 31 0.642 -2.206 11.667 226 1HD2 LEU 31 HD21 LEU 31 0.560 -0.038 8.659 227 2HD2 LEU 31 HD22 LEU 31 2.254 -0.512 8.843 228 3HD2 LEU 31 HD23 LEU 31 1.717 1.112 9.304 229 H ASN 32 H ASN 32 -2.505 0.388 13.020 230 HA ASN 32 HA ASN 32 -2.753 -2.150 13.983 231 1HB ASN 32 HB2 ASN 32 -3.421 0.202 14.981 232 2HB ASN 32 HB1 ASN 32 -4.936 -0.180 14.145 233 1HD2 ASN 32 HD21 ASN 32 -4.978 -3.027 14.757 234 2HD2 ASN 32 HD22 ASN 32 -5.267 -3.089 16.442 235 H MET 33 H MET 33 -4.976 -0.280 11.983 236 HA MET 33 HA MET 33 -6.913 -2.391 11.866 237 1HB MET 33 HB2 MET 33 -6.836 0.161 10.252 238 2HB MET 33 HB1 MET 33 -8.214 -0.894 10.487 239 1HG MET 33 HG2 MET 33 -6.849 0.758 12.570 240 2HG MET 33 HG1 MET 33 -8.412 1.107 11.827 241 1HE MET 33 HE1 MET 33 -7.951 1.059 14.984 242 2HE MET 33 HE2 MET 33 -9.405 0.203 15.498 243 3HE MET 33 HE3 MET 33 -9.493 1.395 14.205 244 H PHE 34 H PHE 34 -4.466 -0.969 9.814 245 HA PHE 34 HA PHE 34 -5.128 -2.251 7.439 246 1HB PHE 34 HB2 PHE 34 -3.535 -0.458 7.361 247 2HB PHE 34 HB1 PHE 34 -2.470 -1.263 8.482 248 HD1 PHE 34 HD1 PHE 34 -0.784 -2.634 7.742 249 HD2 PHE 34 HD2 PHE 34 -3.886 -1.570 4.987 250 HE1 PHE 34 HE1 PHE 34 0.501 -3.640 5.880 251 HE2 PHE 34 HE2 PHE 34 -2.609 -2.562 3.164 252 HZ PHE 34 HZ PHE 34 -0.421 -3.600 3.595 253 H THR 35 H THR 35 -2.779 -3.266 9.874 254 HA THR 35 HA THR 35 -2.328 -5.704 8.485 255 HB THR 35 HB THR 35 -0.508 -4.842 9.847 256 HG1 THR 35 HG1 THR 35 -1.198 -7.323 9.795 257 1HG2 THR 35 HG21 THR 35 -1.748 -3.786 11.594 258 2HG2 THR 35 HG22 THR 35 -0.587 -4.910 12.313 259 3HG2 THR 35 HG23 THR 35 -2.304 -5.339 12.220 260 H PHE 36 H PHE 36 -4.596 -4.719 10.853 261 HA PHE 36 HA PHE 36 -5.443 -7.315 11.647 262 1HB PHE 36 HB2 PHE 36 -6.142 -5.675 13.104 263 2HB PHE 36 HB1 PHE 36 -6.629 -4.545 11.859 264 HD1 PHE 36 HD1 PHE 36 -7.463 -7.821 13.370 265 HD2 PHE 36 HD2 PHE 36 -8.872 -4.431 11.262 266 HE1 PHE 36 HE1 PHE 36 -9.790 -8.618 13.673 267 HE2 PHE 36 HE2 PHE 36 -11.203 -5.198 11.543 268 HZ PHE 36 HZ PHE 36 -11.662 -7.300 12.750 269 H HIS 37 H HIS 37 -6.683 -4.962 9.373 270 HA HIS 37 HA HIS 37 -8.689 -6.460 8.198 271 1HB HIS 37 HB2 HIS 37 -8.661 -4.128 7.947 272 2HB HIS 37 HB1 HIS 37 -7.009 -4.089 7.406 273 HD1 HIS 37 HD1 HIS 37 -10.394 -3.759 6.226 274 HD2 HIS 37 HD2 HIS 37 -6.819 -5.159 4.666 275 HE1 HIS 37 HE1 HIS 37 -10.653 -3.631 3.740 276 H VAL 38 H VAL 38 -5.248 -6.388 7.662 277 HA VAL 38 HA VAL 38 -5.350 -8.023 5.342 278 HB VAL 38 HB VAL 38 -3.101 -7.273 7.192 279 1HG1 VAL 38 HG11 VAL 38 -1.553 -8.309 5.531 280 2HG1 VAL 38 HG12 VAL 38 -2.950 -8.894 4.620 281 3HG1 VAL 38 HG13 VAL 38 -2.633 -9.514 6.240 282 1HG2 VAL 38 HG21 VAL 38 -3.719 -6.531 4.341 283 2HG2 VAL 38 HG22 VAL 38 -2.300 -5.990 5.246 284 3HG2 VAL 38 HG23 VAL 38 -3.923 -5.511 5.765 285 H ASP 39 H ASP 39 -4.519 -8.676 8.746 286 HA ASP 39 HA ASP 39 -4.047 -11.427 8.323 287 1HB ASP 39 HB2 ASP 39 -3.239 -10.209 10.308 288 2HB ASP 39 HB1 ASP 39 -4.916 -9.991 10.802 289 H SER 40 H SER 40 -6.887 -9.621 8.807 290 HA SER 40 HA SER 40 -8.467 -11.979 9.385 291 1HB SER 40 HB2 SER 40 -8.829 -9.808 10.567 292 2HB SER 40 HB1 SER 40 -9.381 -9.128 9.048 293 HG SER 40 HG SER 40 -11.089 -10.438 9.019 294 H GLU 41 H GLU 41 -8.117 -9.602 6.738 295 HA GLU 41 HA GLU 41 -10.246 -11.099 5.346 296 1HB GLU 41 HB2 GLU 41 -9.335 -8.304 4.711 297 2HB GLU 41 HB1 GLU 41 -10.761 -9.128 4.102 298 1HG GLU 41 HG2 GLU 41 -10.249 -8.323 6.942 299 2HG GLU 41 HG1 GLU 41 -11.315 -7.475 5.824 300 H HIS 42 H HIS 42 -6.910 -10.453 5.183 301 HA HIS 42 HA HIS 42 -6.732 -11.872 2.595 302 1HB HIS 42 HB2 HIS 42 -4.825 -9.580 3.052 303 2HB HIS 42 HB1 HIS 42 -5.324 -10.328 1.554 304 HD1 HIS 42 HD1 HIS 42 -7.914 -9.557 0.806 305 HD2 HIS 42 HD2 HIS 42 -5.831 -7.159 3.489 306 HE1 HIS 42 HE1 HIS 42 -9.092 -7.350 0.814 307 HA PRO 43 HA PRO 43 -4.002 -12.807 6.355 308 1HB PRO 43 HB2 PRO 43 -4.432 -15.521 6.449 309 2HB PRO 43 HB1 PRO 43 -5.380 -14.298 7.319 310 1HG PRO 43 HG2 PRO 43 -5.990 -15.648 4.701 311 2HG PRO 43 HG1 PRO 43 -7.087 -15.325 6.064 312 1HD PRO 43 HD2 PRO 43 -7.049 -13.812 3.860 313 2HD PRO 43 HD1 PRO 43 -7.334 -13.118 5.470 314 H ASN 44 H ASN 44 -4.196 -15.266 3.742 315 HA ASN 44 HA ASN 44 -1.274 -15.155 3.744 316 1HB ASN 44 HB2 ASN 44 -3.064 -17.503 3.072 317 2HB ASN 44 HB1 ASN 44 -1.331 -17.485 2.792 318 1HD2 ASN 44 HD21 ASN 44 -0.871 -19.115 4.177 319 2HD2 ASN 44 HD22 ASN 44 -1.040 -19.017 5.892 320 H VAL 45 H VAL 45 -0.721 -13.834 2.224 321 HA VAL 45 HA VAL 45 -2.029 -14.117 -0.358 322 HB VAL 45 HB VAL 45 -1.288 -11.745 -0.818 323 1HG1 VAL 45 HG11 VAL 45 -3.578 -12.271 -0.314 324 2HG1 VAL 45 HG12 VAL 45 -3.138 -10.753 0.474 325 3HG1 VAL 45 HG13 VAL 45 -3.242 -12.244 1.416 326 1HG2 VAL 45 HG21 VAL 45 -0.875 -10.310 1.116 327 2HG2 VAL 45 HG22 VAL 45 0.401 -11.521 0.933 328 3HG2 VAL 45 HG23 VAL 45 -0.844 -11.724 2.170 329 H VAL 46 H VAL 46 -0.924 -14.888 -1.896 330 HA VAL 46 HA VAL 46 1.685 -13.925 -2.341 331 HB VAL 46 HB VAL 46 2.264 -16.017 -1.232 332 1HG1 VAL 46 HG11 VAL 46 0.204 -17.230 -1.378 333 2HG1 VAL 46 HG12 VAL 46 1.520 -18.221 -2.009 334 3HG1 VAL 46 HG13 VAL 46 0.403 -17.428 -3.119 335 1HG2 VAL 46 HG21 VAL 46 3.674 -15.516 -3.138 336 2HG2 VAL 46 HG22 VAL 46 2.566 -16.365 -4.212 337 3HG2 VAL 46 HG23 VAL 46 3.470 -17.262 -2.996 338 H LEU 47 H LEU 47 0.968 -12.756 -3.976 339 HA LEU 47 HA LEU 47 -0.801 -14.041 -5.917 340 1HB LEU 47 HB2 LEU 47 -0.308 -11.103 -5.478 341 2HB LEU 47 HB1 LEU 47 -1.510 -11.804 -6.543 342 HG LEU 47 HG LEU 47 -1.486 -12.020 -3.526 343 1HD1 LEU 47 HD11 LEU 47 -3.260 -10.441 -5.361 344 2HD1 LEU 47 HD12 LEU 47 -2.047 -9.800 -4.247 345 3HD1 LEU 47 HD13 LEU 47 -3.478 -10.618 -3.622 346 1HD2 LEU 47 HD21 LEU 47 -3.512 -13.016 -5.530 347 2HD2 LEU 47 HD22 LEU 47 -3.726 -12.994 -3.782 348 3HD2 LEU 47 HD23 LEU 47 -2.474 -14.007 -4.497 349 H ASN 48 H ASN 48 1.622 -11.412 -6.212 350 HA ASN 48 HA ASN 48 3.074 -12.624 -8.314 351 1HB ASN 48 HB2 ASN 48 2.334 -10.955 -10.092 352 2HB ASN 48 HB1 ASN 48 1.133 -12.171 -9.699 353 1HD2 ASN 48 HD21 ASN 48 -0.502 -10.864 -10.496 354 2HD2 ASN 48 HD22 ASN 48 -1.098 -9.497 -9.628 355 H SER 49 H SER 49 3.740 -9.951 -9.527 356 HA SER 49 HA SER 49 5.377 -9.065 -7.302 357 1HB SER 49 HB2 SER 49 5.508 -8.282 -10.227 358 2HB SER 49 HB1 SER 49 6.712 -7.958 -8.981 359 HG SER 49 HG SER 49 6.362 -10.526 -8.876 360 H SER 50 H SER 50 5.379 -6.874 -6.585 361 HA SER 50 HA SER 50 3.696 -4.868 -7.555 362 1HB SER 50 HB2 SER 50 3.038 -6.400 -5.035 363 2HB SER 50 HB1 SER 50 2.396 -4.818 -5.450 364 HG SER 50 HG SER 50 2.174 -6.665 -7.433 365 H TYR 51 H TYR 51 3.819 -3.122 -5.672 366 HA TYR 51 HA TYR 51 6.546 -3.216 -4.601 367 1HB TYR 51 HB2 TYR 51 4.935 -1.024 -5.800 368 2HB TYR 51 HB1 TYR 51 6.115 -0.651 -4.564 369 HD1 TYR 51 HD1 TYR 51 6.808 -3.309 -7.026 370 HD2 TYR 51 HD2 TYR 51 7.269 0.789 -6.031 371 HE1 TYR 51 HE1 TYR 51 8.524 -3.078 -8.770 372 HE2 TYR 51 HE2 TYR 51 8.984 1.028 -7.762 373 HH TYR 51 HH TYR 51 10.481 -0.246 -9.021 374 H VAL 52 H VAL 52 6.860 -2.616 -2.552 375 HA VAL 52 HA VAL 52 4.540 -1.837 -0.931 376 HB VAL 52 HB VAL 52 5.006 -4.253 -0.608 377 1HG1 VAL 52 HG11 VAL 52 7.677 -3.364 0.329 378 2HG1 VAL 52 HG12 VAL 52 7.313 -4.227 -1.179 379 3HG1 VAL 52 HG13 VAL 52 7.031 -5.006 0.377 380 1HG2 VAL 52 HG21 VAL 52 5.829 -2.640 1.789 381 2HG2 VAL 52 HG22 VAL 52 5.351 -4.336 1.804 382 3HG2 VAL 52 HG23 VAL 52 4.187 -3.099 1.335 383 H CYS 53 H CYS 53 4.989 -0.298 0.551 384 HA CYS 53 HA CYS 53 7.608 1.012 0.516 385 1HB CYS 53 HB2 CYS 53 5.631 2.390 0.646 386 2HB CYS 53 HB1 CYS 53 5.038 1.529 2.050 387 H VAL 54 H VAL 54 9.121 -0.262 1.537 388 HA VAL 54 HA VAL 54 8.658 -2.110 3.551 389 HB VAL 54 HB VAL 54 11.184 -0.793 3.954 390 1HG1 VAL 54 HG11 VAL 54 12.067 -2.932 3.434 391 2HG1 VAL 54 HG12 VAL 54 10.494 -3.373 2.770 392 3HG1 VAL 54 HG13 VAL 54 10.658 -3.093 4.526 393 1HG2 VAL 54 HG21 VAL 54 10.452 -1.446 1.132 394 2HG2 VAL 54 HG22 VAL 54 12.111 -1.437 1.710 395 3HG2 VAL 54 HG23 VAL 54 11.138 0.027 1.783 396 H GLU 55 H GLU 55 9.116 1.274 3.654 397 HA GLU 55 HA GLU 55 9.827 1.669 6.312 398 1HB GLU 55 HB2 GLU 55 8.161 3.548 4.645 399 2HB GLU 55 HB1 GLU 55 9.233 3.966 5.972 400 1HG GLU 55 HG2 GLU 55 10.143 2.817 3.340 401 2HG GLU 55 HG1 GLU 55 10.105 4.529 3.731 402 H CYS 56 H CYS 56 6.801 1.386 4.683 403 HA CYS 56 HA CYS 56 5.291 1.771 7.212 404 1HB CYS 56 HB2 CYS 56 4.262 1.598 4.409 405 2HB CYS 56 HB1 CYS 56 3.373 2.159 5.820 406 H ASN 57 H ASN 57 6.382 -0.562 5.107 407 HA ASN 57 HA ASN 57 5.782 -2.514 4.311 408 1HB ASN 57 HB2 ASN 57 5.253 -2.704 7.196 409 2HB ASN 57 HB1 ASN 57 4.828 -4.117 6.191 410 1HD2 ASN 57 HD21 ASN 57 7.099 -3.656 4.362 411 2HD2 ASN 57 HD22 ASN 57 8.458 -4.166 5.270 412 H PHE 58 H PHE 58 4.289 -1.319 3.001 413 HA PHE 58 HA PHE 58 1.632 -2.474 3.300 414 1HB PHE 58 HB2 PHE 58 0.420 -0.534 3.395 415 2HB PHE 58 HB1 PHE 58 1.904 0.168 4.009 416 HD1 PHE 58 HD1 PHE 58 -0.375 -0.089 1.190 417 HD2 PHE 58 HD2 PHE 58 3.172 1.701 2.602 418 HE1 PHE 58 HE1 PHE 58 -0.511 1.579 -0.651 419 HE2 PHE 58 HE2 PHE 58 3.046 3.405 0.726 420 HZ PHE 58 HZ PHE 58 1.209 3.300 -0.871 421 H LEU 59 H LEU 59 0.951 -3.336 1.527 422 HA LEU 59 HA LEU 59 2.584 -3.043 -0.859 423 1HB LEU 59 HB2 LEU 59 1.045 -5.180 0.382 424 2HB LEU 59 HB1 LEU 59 0.760 -5.039 -1.334 425 HG LEU 59 HG LEU 59 3.478 -5.373 -0.098 426 1HD1 LEU 59 HD11 LEU 59 1.657 -7.353 -1.469 427 2HD1 LEU 59 HD12 LEU 59 1.962 -7.292 0.260 428 3HD1 LEU 59 HD13 LEU 59 3.277 -7.707 -0.844 429 1HD2 LEU 59 HD21 LEU 59 4.119 -5.935 -2.429 430 2HD2 LEU 59 HD22 LEU 59 3.542 -4.289 -2.296 431 3HD2 LEU 59 HD23 LEU 59 2.502 -5.531 -2.974 432 H THR 60 H THR 60 1.752 -2.165 -2.639 433 HA THR 60 HA THR 60 -1.121 -1.803 -2.785 434 HB THR 60 HB THR 60 -0.335 0.329 -2.160 435 HG1 THR 60 HG1 THR 60 -1.666 0.932 -3.662 436 1HG2 THR 60 HG21 THR 60 1.586 1.478 -3.137 437 2HG2 THR 60 HG22 THR 60 1.808 0.167 -4.287 438 3HG2 THR 60 HG23 THR 60 2.058 -0.116 -2.573 439 H LYS 61 H LYS 61 -1.867 -1.564 -5.003 440 HA LYS 61 HA LYS 61 -0.689 -3.669 -6.537 441 1HB LYS 61 HB2 LYS 61 -3.144 -3.333 -6.268 442 2HB LYS 61 HB1 LYS 61 -3.017 -1.895 -7.267 443 1HG LYS 61 HG2 LYS 61 -2.293 -3.240 -9.154 444 2HG LYS 61 HG1 LYS 61 -2.333 -4.695 -8.157 445 1HD LYS 61 HD2 LYS 61 -4.751 -4.334 -7.784 446 2HD LYS 61 HD1 LYS 61 -4.684 -2.942 -8.867 447 1HE LYS 61 HE2 LYS 61 -3.967 -4.416 -10.696 448 2HE LYS 61 HE1 LYS 61 -4.023 -5.794 -9.605 449 1HZ LYS 61 HZ1 LYS 61 -6.028 -5.691 -10.937 450 2HZ LYS 61 HZ2 LYS 61 -6.333 -4.123 -10.418 451 3HZ LYS 61 HZ3 LYS 61 -6.418 -5.387 -9.325 452 H ARG 62 H ARG 62 -0.597 -0.216 -6.680 453 HA ARG 62 HA ARG 62 0.786 -0.490 -9.261 454 1HB ARG 62 HB2 ARG 62 0.145 1.705 -9.953 455 2HB ARG 62 HB1 ARG 62 -1.311 0.907 -9.406 456 1HG ARG 62 HG2 ARG 62 0.262 2.850 -7.727 457 2HG ARG 62 HG1 ARG 62 -1.043 3.337 -8.792 458 1HD ARG 62 HD2 ARG 62 -1.277 1.461 -6.435 459 2HD ARG 62 HD1 ARG 62 -1.747 3.167 -6.507 460 HE ARG 62 HE ARG 62 -3.008 1.565 -8.522 461 1HH1 ARG 62 HH11 ARG 62 -3.243 2.516 -5.108 462 2HH1 ARG 62 HH12 ARG 62 -4.888 2.363 -5.028 463 1HH2 ARG 62 HH21 ARG 62 -5.340 1.365 -8.414 464 2HH2 ARG 62 HH22 ARG 62 -6.111 1.768 -6.944 465 H TYR 63 H TYR 63 2.743 0.517 -9.570 466 HA TYR 63 HA TYR 63 4.359 0.772 -7.262 467 1HB TYR 63 HB2 TYR 63 6.189 1.233 -8.757 468 2HB TYR 63 HB1 TYR 63 5.167 0.049 -9.553 469 HD1 TYR 63 HD1 TYR 63 6.722 3.270 -9.791 470 HD2 TYR 63 HD2 TYR 63 3.565 0.897 -11.371 471 HE1 TYR 63 HE1 TYR 63 6.599 4.756 -11.738 472 HE2 TYR 63 HE2 TYR 63 3.438 2.377 -13.329 473 HH TYR 63 HH TYR 63 4.007 4.738 -13.841 474 H ASP 64 H ASP 64 2.391 2.915 -8.929 475 HA ASP 64 HA ASP 64 3.676 5.420 -8.649 476 1HB ASP 64 HB2 ASP 64 0.709 4.942 -8.662 477 2HB ASP 64 HB1 ASP 64 1.571 6.399 -9.142 478 H ALA 65 H ALA 65 1.630 3.615 -6.418 479 HA ALA 65 HA ALA 65 1.035 5.793 -4.685 480 1HB ALA 65 HB1 ALA 65 -0.297 3.813 -4.640 481 2HB ALA 65 HB2 ALA 65 0.508 3.928 -3.066 482 3HB ALA 65 HB3 ALA 65 1.115 2.836 -4.321 483 H LEU 66 H LEU 66 3.766 3.770 -5.047 484 HA LEU 66 HA LEU 66 4.969 4.482 -2.540 485 1HB LEU 66 HB2 LEU 66 6.229 3.165 -4.928 486 2HB LEU 66 HB1 LEU 66 6.936 3.301 -3.339 487 HG LEU 66 HG LEU 66 6.222 1.131 -3.518 488 1HD1 LEU 66 HD11 LEU 66 5.607 2.137 -1.398 489 2HD1 LEU 66 HD12 LEU 66 4.456 0.874 -1.859 490 3HD1 LEU 66 HD13 LEU 66 4.032 2.574 -2.069 491 1HD2 LEU 66 HD21 LEU 66 4.000 0.435 -4.245 492 2HD2 LEU 66 HD22 LEU 66 4.864 1.378 -5.474 493 3HD2 LEU 66 HD23 LEU 66 3.589 2.133 -4.528 494 H SER 67 H SER 67 4.947 5.560 -5.759 495 HA SER 67 HA SER 67 7.379 7.126 -5.675 496 1HB SER 67 HB2 SER 67 6.084 6.063 -7.699 497 2HB SER 67 HB1 SER 67 5.124 7.509 -7.605 498 HG SER 67 HG SER 67 7.927 7.674 -7.704 499 H GLU 68 H GLU 68 3.926 7.675 -5.493 500 HA GLU 68 HA GLU 68 4.154 10.499 -4.927 501 1HB GLU 68 HB2 GLU 68 1.775 9.064 -3.950 502 2HB GLU 68 HB1 GLU 68 1.881 10.579 -4.833 503 1HG GLU 68 HG2 GLU 68 2.480 9.162 -6.873 504 2HG GLU 68 HG1 GLU 68 2.108 7.810 -5.891 505 H HIS 69 H HIS 69 4.393 7.679 -3.200 506 HA HIS 69 HA HIS 69 3.481 8.221 -0.652 507 1HB HIS 69 HB2 HIS 69 4.510 6.115 -1.651 508 2HB HIS 69 HB1 HIS 69 6.043 6.771 -1.023 509 HD1 HIS 69 HD1 HIS 69 2.558 6.016 0.304 510 HD2 HIS 69 HD2 HIS 69 6.536 5.854 1.321 511 HE1 HIS 69 HE1 HIS 69 2.617 5.053 2.632 512 H ASN 70 H ASN 70 6.924 8.723 -1.613 513 HA ASN 70 HA ASN 70 7.466 10.314 0.705 514 1HB ASN 70 HB2 ASN 70 9.630 10.780 -0.404 515 2HB ASN 70 HB1 ASN 70 9.280 9.069 -0.240 516 1HD2 ASN 70 HD21 ASN 70 11.101 10.099 -1.856 517 2HD2 ASN 70 HD22 ASN 70 10.688 9.781 -3.525 518 H LEU 71 H LEU 71 5.860 10.994 -2.053 519 HA LEU 71 HA LEU 71 6.526 13.785 -2.132 520 1HB LEU 71 HB2 LEU 71 5.907 13.060 -4.233 521 2HB LEU 71 HB1 LEU 71 4.771 11.902 -3.601 522 HG LEU 71 HG LEU 71 3.128 13.594 -3.299 523 1HD1 LEU 71 HD11 LEU 71 3.503 15.925 -4.185 524 2HD1 LEU 71 HD12 LEU 71 5.189 15.506 -4.489 525 3HD1 LEU 71 HD13 LEU 71 4.583 15.564 -2.838 526 1HD2 LEU 71 HD21 LEU 71 2.724 14.156 -5.668 527 2HD2 LEU 71 HD22 LEU 71 3.192 12.478 -5.409 528 3HD2 LEU 71 HD23 LEU 71 4.367 13.633 -6.037 529 H LYS 72 H LYS 72 3.783 11.836 -1.069 530 HA LYS 72 HA LYS 72 2.830 14.178 0.389 531 1HB LYS 72 HB2 LYS 72 0.662 12.518 0.349 532 2HB LYS 72 HB1 LYS 72 0.905 13.894 -0.743 533 1HG LYS 72 HG2 LYS 72 2.066 12.155 -2.218 534 2HG LYS 72 HG1 LYS 72 1.370 10.950 -1.185 535 1HD LYS 72 HD2 LYS 72 -0.154 13.031 -2.754 536 2HD LYS 72 HD1 LYS 72 -0.079 11.296 -3.073 537 1HE LYS 72 HE2 LYS 72 -1.244 10.847 -0.962 538 2HE LYS 72 HE1 LYS 72 -1.252 12.565 -0.599 539 1HZ LYS 72 HZ1 LYS 72 -2.621 11.332 -2.921 540 2HZ LYS 72 HZ2 LYS 72 -2.661 12.955 -2.478 541 3HZ LYS 72 HZ3 LYS 72 -3.377 11.809 -1.488 542 H TYR 73 H TYR 73 3.363 10.822 0.761 543 HA TYR 73 HA TYR 73 2.323 10.686 3.455 544 1HB TYR 73 HB2 TYR 73 3.781 8.722 1.732 545 2HB TYR 73 HB1 TYR 73 3.226 8.331 3.359 546 HD1 TYR 73 HD1 TYR 73 1.803 9.878 0.273 547 HD2 TYR 73 HD2 TYR 73 1.328 7.038 3.375 548 HE1 TYR 73 HE1 TYR 73 -0.284 9.187 -0.711 549 HE2 TYR 73 HE2 TYR 73 -0.777 6.318 2.406 550 HH TYR 73 HH TYR 73 -2.551 7.473 0.948 551 H HIS 74 H HIS 74 5.551 10.190 1.970 552 HA HIS 74 HA HIS 74 6.748 11.039 4.577 553 1HB HIS 74 HB2 HIS 74 8.006 9.349 2.390 554 2HB HIS 74 HB1 HIS 74 8.849 9.868 3.834 555 HD1 HIS 74 HD1 HIS 74 8.650 8.234 5.873 556 HD2 HIS 74 HD2 HIS 74 6.187 7.336 2.676 557 HE1 HIS 74 HE1 HIS 74 7.884 5.878 6.270 558 HA PRO 75 HA PRO 75 7.657 14.160 1.222 559 1HB PRO 75 HB2 PRO 75 6.910 16.364 2.507 560 2HB PRO 75 HB1 PRO 75 5.723 15.316 1.711 561 1HG PRO 75 HG2 PRO 75 6.491 15.387 4.628 562 2HG PRO 75 HG1 PRO 75 4.867 15.324 3.900 563 1HD PRO 75 HD2 PRO 75 6.115 13.121 4.849 564 2HD PRO 75 HD1 PRO 75 5.024 13.110 3.455 565 H GLY 76 H GLY 76 9.327 15.488 0.950 566 1HA GLY 76 HA2 GLY 76 10.763 17.080 2.473 567 2HA GLY 76 HA1 GLY 76 11.331 15.524 3.062 568 H GLU 77 H GLU 77 11.435 14.056 0.800 569 HA GLU 77 HA GLU 77 13.008 15.430 -1.184 570 1HB GLU 77 HB2 GLU 77 14.984 13.951 -0.867 571 2HB GLU 77 HB1 GLU 77 14.726 15.017 0.501 572 1HG GLU 77 HG2 GLU 77 15.031 13.134 1.733 573 2HG GLU 77 HG1 GLU 77 13.358 12.822 1.253 574 H GLU 78 H GLU 78 13.803 13.616 -2.795 575 HA GLU 78 HA GLU 78 11.755 11.531 -2.806 576 1HB GLU 78 HB2 GLU 78 11.138 13.399 -4.342 577 2HB GLU 78 HB1 GLU 78 12.660 13.051 -5.188 578 1HG GLU 78 HG2 GLU 78 11.888 10.846 -5.742 579 2HG GLU 78 HG1 GLU 78 10.395 11.098 -4.843 580 H ASN 79 H ASN 79 13.318 10.094 -2.099 581 HA ASN 79 HA ASN 79 15.016 9.064 -4.238 582 1HB ASN 79 HB2 ASN 79 15.903 9.755 -1.454 583 2HB ASN 79 HB1 ASN 79 16.896 8.801 -2.573 584 1HD2 ASN 79 HD21 ASN 79 15.596 11.824 -1.773 585 2HD2 ASN 79 HD22 ASN 79 16.432 12.859 -2.885 586 H PHE 80 H PHE 80 13.628 7.397 -4.318 587 HA PHE 80 HA PHE 80 13.433 5.685 -1.955 588 1HB PHE 80 HB2 PHE 80 11.602 6.343 -4.119 589 2HB PHE 80 HB1 PHE 80 11.807 4.616 -3.923 590 HD1 PHE 80 HD1 PHE 80 11.594 3.773 -1.427 591 HD2 PHE 80 HD2 PHE 80 9.982 7.406 -2.888 592 HE1 PHE 80 HE1 PHE 80 9.871 3.697 0.301 593 HE2 PHE 80 HE2 PHE 80 8.279 7.361 -1.111 594 HZ PHE 80 HZ PHE 80 8.217 5.486 0.466 595 H LYS 81 H LYS 81 14.130 3.640 -2.073 596 HA LYS 81 HA LYS 81 15.723 2.917 -4.442 597 1HB LYS 81 HB2 LYS 81 17.353 2.103 -3.002 598 2HB LYS 81 HB1 LYS 81 16.565 3.262 -1.917 599 1HG LYS 81 HG2 LYS 81 15.277 1.585 -0.887 600 2HG LYS 81 HG1 LYS 81 15.810 0.376 -2.045 601 1HD LYS 81 HD2 LYS 81 18.170 0.916 -1.213 602 2HD LYS 81 HD1 LYS 81 17.325 1.684 0.146 603 1HE LYS 81 HE2 LYS 81 16.109 -0.384 0.551 604 2HE LYS 81 HE1 LYS 81 16.974 -1.133 -0.786 605 1HZ LYS 81 HZ1 LYS 81 17.935 -1.677 1.404 606 2HZ LYS 81 HZ2 LYS 81 18.285 -0.039 1.655 607 3HZ LYS 81 HZ3 LYS 81 19.038 -0.880 0.413 608 H LEU 82 H LEU 82 15.758 0.391 -4.684 609 HA LEU 82 HA LEU 82 13.218 -0.666 -3.788 610 1HB LEU 82 HB2 LEU 82 12.837 -1.747 -5.969 611 2HB LEU 82 HB1 LEU 82 12.788 -0.006 -6.073 612 HG LEU 82 HG LEU 82 15.245 -1.550 -6.805 613 1HD1 LEU 82 HD11 LEU 82 12.927 -0.734 -8.608 614 2HD1 LEU 82 HD12 LEU 82 13.321 -2.387 -8.148 615 3HD1 LEU 82 HD13 LEU 82 14.434 -1.465 -9.161 616 1HD2 LEU 82 HD21 LEU 82 14.203 1.153 -7.673 617 2HD2 LEU 82 HD22 LEU 82 15.704 0.413 -8.225 618 3HD2 LEU 82 HD23 LEU 82 15.509 0.858 -6.529 619 H THR 83 H THR 83 13.352 -2.606 -2.948 620 HA THR 83 HA THR 83 15.673 -4.218 -3.526 621 HB THR 83 HB THR 83 16.247 -2.997 -1.551 622 HG1 THR 83 HG1 THR 83 16.454 -4.659 -0.013 623 1HG2 THR 83 HG21 THR 83 14.932 -2.998 0.538 624 2HG2 THR 83 HG22 THR 83 13.675 -3.929 -0.280 625 3HG2 THR 83 HG23 THR 83 14.027 -2.282 -0.804 626 H MET 84 H MET 84 14.802 -6.317 -4.079 627 HA MET 84 HA MET 84 11.977 -6.630 -3.318 628 1HB MET 84 HB2 MET 84 12.659 -7.000 -5.685 629 2HB MET 84 HB1 MET 84 13.716 -8.284 -5.105 630 1HG MET 84 HG2 MET 84 11.764 -9.520 -4.292 631 2HG MET 84 HG1 MET 84 10.710 -8.255 -4.926 632 1HE MET 84 HE1 MET 84 14.013 -9.757 -6.511 633 2HE MET 84 HE2 MET 84 13.333 -11.010 -7.537 634 3HE MET 84 HE3 MET 84 13.210 -11.149 -5.782 635 H VAL 85 H VAL 85 11.886 -7.323 -1.348 636 HA VAL 85 HA VAL 85 12.770 -10.000 -0.878 637 HB VAL 85 HB VAL 85 13.413 -9.141 1.573 638 1HG1 VAL 85 HG11 VAL 85 15.256 -8.840 -0.800 639 2HG1 VAL 85 HG12 VAL 85 14.943 -10.338 0.068 640 3HG1 VAL 85 HG13 VAL 85 15.782 -9.010 0.877 641 1HG2 VAL 85 HG21 VAL 85 14.086 -6.741 -0.152 642 2HG2 VAL 85 HG22 VAL 85 14.598 -6.969 1.518 643 3HG2 VAL 85 HG23 VAL 85 12.883 -6.771 1.136 644 H LYS 86 H LYS 86 10.703 -10.843 -0.553 645 HA LYS 86 HA LYS 86 9.357 -9.593 1.692 646 1HB LYS 86 HB2 LYS 86 8.302 -8.877 -0.581 647 2HB LYS 86 HB1 LYS 86 7.663 -10.539 -0.599 648 1HG LYS 86 HG2 LYS 86 6.035 -9.042 0.164 649 2HG LYS 86 HG1 LYS 86 6.511 -10.145 1.446 650 1HD LYS 86 HD2 LYS 86 7.710 -8.547 2.644 651 2HD LYS 86 HD1 LYS 86 7.952 -7.525 1.234 652 1HE LYS 86 HE2 LYS 86 5.757 -6.581 1.448 653 2HE LYS 86 HE1 LYS 86 5.238 -7.836 2.575 654 1HZ LYS 86 HZ1 LYS 86 5.771 -5.748 3.618 655 2HZ LYS 86 HZ2 LYS 86 7.383 -5.853 3.014 656 3HZ LYS 86 HZ3 LYS 86 6.810 -6.974 4.135 657 H ARG 87 H ARG 87 9.259 -11.062 3.161 658 HA ARG 87 HA ARG 87 9.392 -13.769 2.173 659 1HB ARG 87 HB2 ARG 87 10.428 -12.642 4.791 660 2HB ARG 87 HB1 ARG 87 10.553 -14.312 4.269 661 1HG ARG 87 HG2 ARG 87 12.698 -13.407 3.807 662 2HG ARG 87 HG1 ARG 87 11.855 -13.431 2.258 663 1HD ARG 87 HD2 ARG 87 13.052 -11.337 2.449 664 2HD ARG 87 HD1 ARG 87 11.326 -11.024 2.523 665 HE ARG 87 HE ARG 87 12.679 -11.289 5.063 666 1HH1 ARG 87 HH11 ARG 87 11.420 -8.914 2.643 667 2HH1 ARG 87 HH12 ARG 87 11.614 -7.607 3.656 668 1HH2 ARG 87 HH21 ARG 87 12.893 -9.395 6.431 669 2HH2 ARG 87 HH22 ARG 87 12.457 -7.853 5.866 670 H ASN 88 H ASN 88 8.172 -15.374 3.215 671 HA ASN 88 HA ASN 88 6.372 -16.320 4.231 672 1HB ASN 88 HB2 ASN 88 6.155 -13.725 5.792 673 2HB ASN 88 HB1 ASN 88 5.202 -15.162 6.118 674 1HD2 ASN 88 HD21 ASN 88 7.093 -13.663 7.729 675 2HD2 ASN 88 HD22 ASN 88 8.285 -14.775 8.269 676 H ASN 89 H ASN 89 6.349 -14.305 2.010 677 HA ASN 89 HA ASN 89 3.468 -14.251 1.518 678 1HB ASN 89 HB2 ASN 89 5.247 -11.773 1.356 679 2HB ASN 89 HB1 ASN 89 3.614 -11.866 0.740 680 1HD2 ASN 89 HD21 ASN 89 5.601 -11.495 3.528 681 2HD2 ASN 89 HD22 ASN 89 4.321 -11.092 4.618 682 H GLN 90 H GLN 90 4.071 -12.444 -0.810 683 HA GLN 90 HA GLN 90 5.407 -14.375 -2.522 684 1HB GLN 90 HB2 GLN 90 4.647 -12.943 -4.335 685 2HB GLN 90 HB1 GLN 90 3.254 -13.418 -3.333 686 1HG GLN 90 HG2 GLN 90 4.673 -10.848 -3.143 687 2HG GLN 90 HG1 GLN 90 3.337 -11.097 -4.274 688 1HE2 GLN 90 HE21 GLN 90 4.276 -10.481 -1.043 689 2HE2 GLN 90 HE22 GLN 90 2.675 -10.407 -0.381 690 H THR 91 H THR 91 6.936 -13.250 -4.153 691 HA THR 91 HA THR 91 8.482 -11.419 -2.568 692 HB THR 91 HB THR 91 10.222 -11.877 -4.483 693 HG1 THR 91 HG1 THR 91 9.658 -13.332 -5.857 694 1HG2 THR 91 HG21 THR 91 9.489 -14.031 -2.464 695 2HG2 THR 91 HG22 THR 91 10.493 -12.640 -2.118 696 3HG2 THR 91 HG23 THR 91 11.051 -13.864 -3.251 697 H ILE 92 H ILE 92 8.158 -9.519 -2.804 698 HA ILE 92 HA ILE 92 7.470 -8.279 -5.293 699 HB ILE 92 HB ILE 92 5.964 -6.729 -3.909 700 1HG1 ILE 92 HG12 ILE 92 4.811 -8.170 -2.041 701 2HG1 ILE 92 HG11 ILE 92 6.374 -8.939 -2.019 702 1HG2 ILE 92 HG21 ILE 92 5.134 -9.527 -4.513 703 2HG2 ILE 92 HG22 ILE 92 4.963 -8.080 -5.516 704 3HG2 ILE 92 HG23 ILE 92 4.024 -8.246 -4.045 705 1HD1 ILE 92 HD11 ILE 92 7.531 -6.920 -1.594 706 2HD1 ILE 92 HD12 ILE 92 6.258 -7.109 -0.394 707 3HD1 ILE 92 HD13 ILE 92 6.058 -5.980 -1.731 708 H PHE 93 H PHE 93 7.870 -5.897 -5.215 709 HA PHE 93 HA PHE 93 10.607 -5.748 -4.250 710 1HB PHE 93 HB2 PHE 93 8.984 -3.884 -5.975 711 2HB PHE 93 HB1 PHE 93 10.698 -3.737 -5.663 712 HD1 PHE 93 HD1 PHE 93 8.099 -5.570 -7.467 713 HD2 PHE 93 HD2 PHE 93 12.256 -5.145 -6.768 714 HE1 PHE 93 HE1 PHE 93 8.552 -6.899 -9.489 715 HE2 PHE 93 HE2 PHE 93 12.735 -6.481 -8.796 716 HZ PHE 93 HZ PHE 93 10.872 -7.354 -10.154 717 H GLU 94 H GLU 94 11.045 -4.671 -2.437 718 HA GLU 94 HA GLU 94 8.994 -3.034 -1.266 719 1HB GLU 94 HB2 GLU 94 11.633 -3.957 -0.058 720 2HB GLU 94 HB1 GLU 94 10.289 -3.203 0.773 721 1HG GLU 94 HG2 GLU 94 8.993 -5.264 -0.107 722 2HG GLU 94 HG1 GLU 94 10.590 -6.012 -0.109 723 H GLN 95 H GLN 95 9.359 -0.929 -0.927 724 HA GLN 95 HA GLN 95 11.739 0.162 -2.260 725 1HB GLN 95 HB2 GLN 95 9.385 0.352 -3.359 726 2HB GLN 95 HB1 GLN 95 9.072 1.561 -2.120 727 1HG GLN 95 HG2 GLN 95 10.874 2.912 -2.903 728 2HG GLN 95 HG1 GLN 95 11.393 1.649 -4.010 729 1HE2 GLN 95 HE21 GLN 95 9.134 4.188 -3.388 730 2HE2 GLN 95 HE22 GLN 95 8.484 4.250 -4.984 731 H THR 96 H THR 96 13.070 1.039 -0.756 732 HA THR 96 HA THR 96 11.901 2.205 1.682 733 HB THR 96 HB THR 96 14.735 1.868 1.836 734 HG1 THR 96 HG1 THR 96 14.369 -0.608 1.810 735 1HG2 THR 96 HG21 THR 96 14.123 0.428 3.775 736 2HG2 THR 96 HG22 THR 96 12.440 0.473 3.248 737 3HG2 THR 96 HG23 THR 96 13.220 1.941 3.766 738 H ILE 97 H ILE 97 13.029 4.080 2.530 739 HA ILE 97 HA ILE 97 14.118 5.802 0.386 740 HB ILE 97 HB ILE 97 13.124 6.723 3.099 741 1HG1 ILE 97 HG12 ILE 97 11.387 6.713 0.674 742 2HG1 ILE 97 HG11 ILE 97 11.446 5.262 1.643 743 1HG2 ILE 97 HG21 ILE 97 13.152 8.024 0.365 744 2HG2 ILE 97 HG22 ILE 97 14.446 8.184 1.541 745 3HG2 ILE 97 HG23 ILE 97 12.848 8.806 1.926 746 1HD1 ILE 97 HD11 ILE 97 10.337 7.968 2.304 747 2HD1 ILE 97 HD12 ILE 97 10.787 6.825 3.578 748 3HD1 ILE 97 HD13 ILE 97 9.575 6.375 2.402 749 H ASN 98 H ASN 98 15.892 7.017 0.938 750 HA ASN 98 HA ASN 98 17.652 5.681 2.828 751 1HB ASN 98 HB2 ASN 98 19.400 7.130 1.656 752 2HB ASN 98 HB1 ASN 98 18.655 5.867 0.675 753 1HD2 ASN 98 HD21 ASN 98 17.191 9.031 1.498 754 2HD2 ASN 98 HD22 ASN 98 17.151 9.598 -0.095 755 H ASP 99 H ASP 99 15.458 7.914 3.263 756 HA ASP 99 HA ASP 99 17.067 9.483 5.104 757 1HB ASP 99 HB2 ASP 99 17.245 10.418 2.738 758 2HB ASP 99 HB1 ASP 99 15.608 10.960 2.990 759 H LEU 100 H LEU 100 13.957 9.453 3.375 760 HA LEU 100 HA LEU 100 12.492 10.651 5.565 761 1HB LEU 100 HB2 LEU 100 11.359 9.272 3.128 762 2HB LEU 100 HB1 LEU 100 10.641 10.464 4.173 763 HG LEU 100 HG LEU 100 13.061 11.322 2.745 764 1HD1 LEU 100 HD11 LEU 100 10.379 10.766 1.493 765 2HD1 LEU 100 HD12 LEU 100 11.966 10.157 0.970 766 3HD1 LEU 100 HD13 LEU 100 11.577 11.850 0.794 767 1HD2 LEU 100 HD21 LEU 100 11.721 12.734 4.308 768 2HD2 LEU 100 HD22 LEU 100 10.368 12.568 3.150 769 3HD2 LEU 100 HD23 LEU 100 11.847 13.361 2.661 770 H THR 101 H THR 101 13.870 7.970 5.672 771 HA THR 101 HA THR 101 12.245 5.765 5.830 772 HB THR 101 HB THR 101 14.631 6.395 7.561 773 HG1 THR 101 HG1 THR 101 14.707 5.464 4.891 774 1HG2 THR 101 HG21 THR 101 15.190 4.052 7.110 775 2HG2 THR 101 HG22 THR 101 13.771 3.899 6.086 776 3HG2 THR 101 HG23 THR 101 13.577 4.154 7.826 777 H PHE 102 H PHE 102 12.601 8.448 7.988 778 HA PHE 102 HA PHE 102 11.600 7.232 10.355 779 1HB PHE 102 HB2 PHE 102 11.438 9.559 11.229 780 2HB PHE 102 HB1 PHE 102 13.012 9.195 10.544 781 HD1 PHE 102 HD1 PHE 102 13.752 10.278 8.500 782 HD2 PHE 102 HD2 PHE 102 9.963 11.162 10.179 783 HE1 PHE 102 HE1 PHE 102 13.603 12.283 7.082 784 HE2 PHE 102 HE2 PHE 102 9.797 13.171 8.760 785 HZ PHE 102 HZ PHE 102 11.619 13.733 7.210 Start of MODEL 10 1 HA MET 1 HA MET 1 -19.454 1.336 -13.621 2 1HB MET 1 HB2 MET 1 -21.298 -0.989 -13.070 3 2HB MET 1 HB1 MET 1 -19.596 -0.963 -12.657 4 1HG MET 1 HG2 MET 1 -19.977 0.844 -11.105 5 2HG MET 1 HG1 MET 1 -21.681 0.902 -11.535 6 1HE MET 1 HE1 MET 1 -23.365 -1.144 -11.086 7 2HE MET 1 HE2 MET 1 -22.918 -2.599 -10.198 8 3HE MET 1 HE3 MET 1 -22.273 -2.325 -11.816 9 H ALA 2 H ALA 2 -17.988 0.726 -15.057 10 HA ALA 2 HA ALA 2 -18.572 -1.563 -16.741 11 1HB ALA 2 HB1 ALA 2 -17.566 -0.443 -18.668 12 2HB ALA 2 HB2 ALA 2 -17.377 1.036 -17.723 13 3HB ALA 2 HB3 ALA 2 -18.990 0.438 -18.111 14 H HIS 3 H HIS 3 -17.276 -2.772 -15.446 15 HA HIS 3 HA HIS 3 -14.532 -1.935 -14.948 16 1HB HIS 3 HB2 HIS 3 -16.020 -4.426 -14.065 17 2HB HIS 3 HB1 HIS 3 -14.383 -4.008 -13.587 18 HD1 HIS 3 HD1 HIS 3 -17.713 -3.863 -12.282 19 HD2 HIS 3 HD2 HIS 3 -14.435 -1.301 -12.241 20 HE1 HIS 3 HE1 HIS 3 -18.102 -2.259 -10.394 21 H HIS 4 H HIS 4 -16.317 -3.756 -17.132 22 HA HIS 4 HA HIS 4 -13.977 -5.280 -17.998 23 1HB HIS 4 HB2 HIS 4 -16.890 -5.515 -18.808 24 2HB HIS 4 HB1 HIS 4 -15.591 -6.459 -19.525 25 HD1 HIS 4 HD1 HIS 4 -14.988 -8.576 -18.356 26 HD2 HIS 4 HD2 HIS 4 -17.315 -6.079 -16.002 27 HE1 HIS 4 HE1 HIS 4 -15.516 -9.875 -16.253 28 H HIS 5 H HIS 5 -12.964 -3.412 -18.712 29 HA HIS 5 HA HIS 5 -12.373 -1.730 -20.080 30 1HB HIS 5 HB2 HIS 5 -13.753 -3.522 -22.072 31 2HB HIS 5 HB1 HIS 5 -12.987 -2.015 -22.564 32 HD1 HIS 5 HD1 HIS 5 -10.368 -1.911 -22.386 33 HD2 HIS 5 HD2 HIS 5 -12.050 -5.589 -21.454 34 HE1 HIS 5 HE1 HIS 5 -8.463 -3.556 -22.344 35 H HIS 6 H HIS 6 -13.614 -0.347 -22.208 36 HA HIS 6 HA HIS 6 -15.042 1.329 -22.655 37 1HB HIS 6 HB2 HIS 6 -16.906 -0.280 -22.197 38 2HB HIS 6 HB1 HIS 6 -16.831 0.134 -20.497 39 HD1 HIS 6 HD1 HIS 6 -18.568 1.824 -19.804 40 HD2 HIS 6 HD2 HIS 6 -17.639 2.061 -23.850 41 HE1 HIS 6 HE1 HIS 6 -20.208 3.435 -20.807 42 H HIS 7 H HIS 7 -14.228 0.645 -19.441 43 HA HIS 7 HA HIS 7 -12.944 3.127 -19.049 44 1HB HIS 7 HB2 HIS 7 -15.281 3.652 -18.269 45 2HB HIS 7 HB1 HIS 7 -15.193 2.284 -17.168 46 HD1 HIS 7 HD1 HIS 7 -15.224 3.450 -14.943 47 HD2 HIS 7 HD2 HIS 7 -12.470 5.082 -17.567 48 HE1 HIS 7 HE1 HIS 7 -13.942 5.161 -13.624 49 H HIS 8 H HIS 8 -11.302 1.502 -19.216 50 HA HIS 8 HA HIS 8 -11.348 -0.795 -17.472 51 1HB HIS 8 HB2 HIS 8 -10.418 -0.868 -19.805 52 2HB HIS 8 HB1 HIS 8 -9.109 0.175 -19.268 53 HD1 HIS 8 HD1 HIS 8 -7.096 -0.993 -18.164 54 HD2 HIS 8 HD2 HIS 8 -10.390 -3.470 -18.667 55 HE1 HIS 8 HE1 HIS 8 -6.294 -3.316 -17.667 56 H ASN 9 H ASN 9 -9.053 1.889 -17.907 57 HA ASN 9 HA ASN 9 -8.019 1.309 -15.262 58 1HB ASN 9 HB2 ASN 9 -6.453 1.891 -17.143 59 2HB ASN 9 HB1 ASN 9 -7.138 3.514 -17.142 60 1HD2 ASN 9 HD21 ASN 9 -5.165 4.434 -16.596 61 2HD2 ASN 9 HD22 ASN 9 -4.483 4.289 -15.025 62 H GLN 10 H GLN 10 -9.468 1.882 -13.885 63 HA GLN 10 HA GLN 10 -11.007 4.319 -14.241 64 1HB GLN 10 HB2 GLN 10 -11.212 2.282 -12.045 65 2HB GLN 10 HB1 GLN 10 -12.414 3.472 -12.529 66 1HG GLN 10 HG2 GLN 10 -12.605 2.347 -14.702 67 2HG GLN 10 HG1 GLN 10 -11.485 1.114 -14.136 68 1HE2 GLN 10 HE21 GLN 10 -14.142 0.803 -15.036 69 2HE2 GLN 10 HE22 GLN 10 -15.047 0.131 -13.734 70 H GLN 11 H GLN 11 -8.404 3.085 -12.414 71 HA GLN 11 HA GLN 11 -6.972 3.906 -10.897 72 1HB GLN 11 HB2 GLN 11 -8.467 6.559 -11.034 73 2HB GLN 11 HB1 GLN 11 -6.883 6.308 -10.323 74 1HG GLN 11 HG2 GLN 11 -7.551 6.010 -13.257 75 2HG GLN 11 HG1 GLN 11 -6.797 7.420 -12.531 76 1HE2 GLN 11 HE21 GLN 11 -5.006 7.218 -13.863 77 2HE2 GLN 11 HE22 GLN 11 -3.815 5.989 -13.664 78 H ASN 12 H ASN 12 -10.236 4.976 -10.339 79 HA ASN 12 HA ASN 12 -11.751 4.699 -8.741 80 1HB ASN 12 HB2 ASN 12 -10.045 2.384 -7.772 81 2HB ASN 12 HB1 ASN 12 -11.718 2.682 -7.329 82 1HD2 ASN 12 HD21 ASN 12 -13.341 2.278 -8.874 83 2HD2 ASN 12 HD22 ASN 12 -13.029 1.361 -10.301 84 H LYS 13 H LYS 13 -9.472 3.501 -6.427 85 HA LYS 13 HA LYS 13 -9.939 5.950 -4.951 86 1HB LYS 13 HB2 LYS 13 -10.275 3.665 -3.896 87 2HB LYS 13 HB1 LYS 13 -8.528 3.478 -3.939 88 1HG LYS 13 HG2 LYS 13 -8.226 5.356 -2.479 89 2HG LYS 13 HG1 LYS 13 -9.944 5.739 -2.534 90 1HD LYS 13 HD2 LYS 13 -10.358 3.450 -1.555 91 2HD LYS 13 HD1 LYS 13 -8.623 3.337 -1.284 92 1HE LYS 13 HE2 LYS 13 -9.788 4.107 0.736 93 2HE LYS 13 HE1 LYS 13 -8.692 5.339 0.116 94 1HZ LYS 13 HZ1 LYS 13 -10.502 6.568 -0.764 95 2HZ LYS 13 HZ2 LYS 13 -10.967 6.169 0.800 96 3HZ LYS 13 HZ3 LYS 13 -11.599 5.326 -0.504 97 H LYS 14 H LYS 14 -7.530 4.288 -6.735 98 HA LYS 14 HA LYS 14 -5.403 4.658 -7.315 99 1HB LYS 14 HB2 LYS 14 -6.352 6.940 -7.895 100 2HB LYS 14 HB1 LYS 14 -5.909 7.499 -6.307 101 1HG LYS 14 HG2 LYS 14 -3.911 6.574 -8.378 102 2HG LYS 14 HG1 LYS 14 -4.422 8.246 -8.191 103 1HD LYS 14 HD2 LYS 14 -3.598 8.193 -5.866 104 2HD LYS 14 HD1 LYS 14 -3.053 6.539 -6.126 105 1HE LYS 14 HE2 LYS 14 -1.184 8.002 -6.340 106 2HE LYS 14 HE1 LYS 14 -1.592 7.377 -7.931 107 1HZ LYS 14 HZ1 LYS 14 -2.639 9.487 -8.472 108 2HZ LYS 14 HZ2 LYS 14 -1.067 9.755 -7.855 109 3HZ LYS 14 HZ3 LYS 14 -2.383 10.031 -6.890 110 H VAL 15 H VAL 15 -5.413 6.740 -4.642 111 HA VAL 15 HA VAL 15 -4.796 5.277 -2.536 112 HB VAL 15 HB VAL 15 -2.523 5.018 -4.006 113 1HG1 VAL 15 HG11 VAL 15 -0.824 6.649 -3.422 114 2HG1 VAL 15 HG12 VAL 15 -2.053 7.630 -2.623 115 3HG1 VAL 15 HG13 VAL 15 -2.124 7.390 -4.373 116 1HG2 VAL 15 HG21 VAL 15 -2.607 5.663 -1.112 117 2HG2 VAL 15 HG22 VAL 15 -1.276 4.810 -1.915 118 3HG2 VAL 15 HG23 VAL 15 -2.916 4.098 -1.860 119 H GLU 16 H GLU 16 -4.882 6.884 -0.835 120 HA GLU 16 HA GLU 16 -4.657 9.594 -1.823 121 1HB GLU 16 HB2 GLU 16 -6.794 10.236 -0.617 122 2HB GLU 16 HB1 GLU 16 -6.978 9.293 -2.088 123 1HG GLU 16 HG2 GLU 16 -7.234 7.273 -0.701 124 2HG GLU 16 HG1 GLU 16 -7.140 8.277 0.730 125 H GLY 17 H GLY 17 -5.325 7.790 1.153 126 1HA GLY 17 HA2 GLY 17 -3.021 8.951 2.272 127 2HA GLY 17 HA1 GLY 17 -4.482 9.645 2.957 128 H GLY 18 H GLY 18 -2.514 6.986 2.650 129 1HA GLY 18 HA2 GLY 18 -2.561 5.920 4.990 130 2HA GLY 18 HA1 GLY 18 -4.153 5.388 4.447 131 H TYR 19 H TYR 19 -3.447 3.261 4.681 132 HA TYR 19 HA TYR 19 -1.470 2.329 2.691 133 1HB TYR 19 HB2 TYR 19 -2.409 0.871 5.146 134 2HB TYR 19 HB1 TYR 19 -0.960 0.579 4.194 135 HD1 TYR 19 HD1 TYR 19 -1.968 1.634 7.262 136 HD2 TYR 19 HD2 TYR 19 0.536 2.945 4.086 137 HE1 TYR 19 HE1 TYR 19 -0.776 3.048 8.815 138 HE2 TYR 19 HE2 TYR 19 1.769 4.381 5.655 139 HH TYR 19 HH TYR 19 1.369 5.491 7.792 140 H GLU 20 H GLU 20 -2.215 1.650 1.060 141 HA GLU 20 HA GLU 20 -4.887 0.580 0.946 142 1HB GLU 20 HB2 GLU 20 -4.120 2.088 -0.871 143 2HB GLU 20 HB1 GLU 20 -2.772 1.007 -1.196 144 1HG GLU 20 HG2 GLU 20 -4.485 -0.791 -1.642 145 2HG GLU 20 HG1 GLU 20 -5.696 0.476 -1.596 146 H CYS 21 H CYS 21 -5.205 -1.503 0.798 147 HA CYS 21 HA CYS 21 -2.997 -3.398 0.707 148 1HB CYS 21 HB2 CYS 21 -5.928 -3.933 0.348 149 2HB CYS 21 HB1 CYS 21 -4.686 -5.136 0.671 150 H LYS 22 H LYS 22 -2.338 -4.354 -1.129 151 HA LYS 22 HA LYS 22 -3.082 -3.427 -3.681 152 1HB LYS 22 HB2 LYS 22 -0.843 -4.228 -3.156 153 2HB LYS 22 HB1 LYS 22 -1.450 -5.828 -2.785 154 1HG LYS 22 HG2 LYS 22 -1.630 -4.633 -5.543 155 2HG LYS 22 HG1 LYS 22 -0.188 -5.468 -4.978 156 1HD LYS 22 HD2 LYS 22 -1.508 -7.461 -4.568 157 2HD LYS 22 HD1 LYS 22 -2.965 -6.640 -5.146 158 1HE LYS 22 HE2 LYS 22 -1.778 -6.281 -7.329 159 2HE LYS 22 HE1 LYS 22 -0.477 -7.290 -6.687 160 1HZ LYS 22 HZ1 LYS 22 -2.111 -9.096 -6.462 161 2HZ LYS 22 HZ2 LYS 22 -1.881 -8.608 -8.056 162 3HZ LYS 22 HZ3 LYS 22 -3.265 -8.128 -7.226 163 H TYR 23 H TYR 23 -4.381 -5.806 -1.632 164 HA TYR 23 HA TYR 23 -5.597 -7.245 -3.842 165 1HB TYR 23 HB2 TYR 23 -5.888 -8.722 -1.438 166 2HB TYR 23 HB1 TYR 23 -4.915 -9.110 -2.849 167 HD1 TYR 23 HD1 TYR 23 -4.871 -7.888 0.588 168 HD2 TYR 23 HD2 TYR 23 -2.476 -8.488 -2.896 169 HE1 TYR 23 HE1 TYR 23 -2.847 -7.648 1.937 170 HE2 TYR 23 HE2 TYR 23 -0.448 -8.255 -1.533 171 HH TYR 23 HH TYR 23 -0.499 -8.375 1.829 172 H CYS 24 H CYS 24 -6.523 -4.762 -2.049 173 HA CYS 24 HA CYS 24 -9.245 -5.500 -2.440 174 1HB CYS 24 HB2 CYS 24 -10.064 -5.182 -0.153 175 2HB CYS 24 HB1 CYS 24 -8.839 -6.448 -0.211 176 H THR 25 H THR 25 -10.720 -3.605 -1.954 177 HA THR 25 HA THR 25 -9.330 -1.199 -2.791 178 HB THR 25 HB THR 25 -11.420 -1.920 -3.983 179 HG1 THR 25 HG1 THR 25 -11.427 0.569 -2.638 180 1HG2 THR 25 HG21 THR 25 -12.686 -2.789 -2.044 181 2HG2 THR 25 HG22 THR 25 -13.613 -1.566 -2.911 182 3HG2 THR 25 HG23 THR 25 -12.807 -1.152 -1.401 183 H PHE 26 H PHE 26 -9.481 -2.401 0.064 184 HA PHE 26 HA PHE 26 -10.556 -0.057 1.417 185 1HB PHE 26 HB2 PHE 26 -9.907 -2.793 2.522 186 2HB PHE 26 HB1 PHE 26 -10.512 -1.441 3.477 187 HD1 PHE 26 HD1 PHE 26 -11.377 -4.122 1.233 188 HD2 PHE 26 HD2 PHE 26 -12.770 -0.525 3.009 189 HE1 PHE 26 HE1 PHE 26 -13.678 -4.730 0.644 190 HE2 PHE 26 HE2 PHE 26 -15.080 -1.129 2.428 191 HZ PHE 26 HZ PHE 26 -15.537 -3.236 1.243 192 H GLN 27 H GLN 27 -9.335 1.364 2.247 193 HA GLN 27 HA GLN 27 -6.511 0.814 2.762 194 1HB GLN 27 HB2 GLN 27 -6.382 2.179 0.866 195 2HB GLN 27 HB1 GLN 27 -7.839 3.068 1.291 196 1HG GLN 27 HG2 GLN 27 -6.650 4.373 2.893 197 2HG GLN 27 HG1 GLN 27 -5.240 3.334 2.786 198 1HE2 GLN 27 HE21 GLN 27 -3.869 3.637 1.242 199 2HE2 GLN 27 HE22 GLN 27 -3.852 4.920 0.082 200 H THR 28 H THR 28 -5.679 1.725 4.576 201 HA THR 28 HA THR 28 -7.310 3.530 6.088 202 HB THR 28 HB THR 28 -8.021 1.440 7.085 203 HG1 THR 28 HG1 THR 28 -7.858 2.504 8.875 204 1HG2 THR 28 HG21 THR 28 -5.091 0.805 7.524 205 2HG2 THR 28 HG22 THR 28 -6.130 0.015 6.344 206 3HG2 THR 28 HG23 THR 28 -6.444 -0.177 8.068 207 HA PRO 29 HA PRO 29 -3.168 5.145 6.663 208 1HB PRO 29 HB2 PRO 29 -3.889 7.249 8.233 209 2HB PRO 29 HB1 PRO 29 -4.036 7.242 6.468 210 1HG PRO 29 HG2 PRO 29 -6.135 6.740 8.539 211 2HG PRO 29 HG1 PRO 29 -6.246 7.677 7.042 212 1HD PRO 29 HD2 PRO 29 -7.214 5.151 7.227 213 2HD PRO 29 HD1 PRO 29 -6.492 5.772 5.722 214 H ASP 30 H ASP 30 -5.116 3.620 8.881 215 HA ASP 30 HA ASP 30 -3.236 4.027 11.075 216 1HB ASP 30 HB2 ASP 30 -5.856 2.537 10.912 217 2HB ASP 30 HB1 ASP 30 -4.783 2.449 12.300 218 H LEU 31 H LEU 31 -1.471 2.836 10.954 219 HA LEU 31 HA LEU 31 -0.979 0.675 9.370 220 1HB LEU 31 HB2 LEU 31 0.538 2.226 10.840 221 2HB LEU 31 HB1 LEU 31 0.349 0.973 12.041 222 HG LEU 31 HG LEU 31 2.451 0.646 10.933 223 1HD1 LEU 31 HD11 LEU 31 0.474 -1.313 9.863 224 2HD1 LEU 31 HD12 LEU 31 1.290 -1.421 11.426 225 3HD1 LEU 31 HD13 LEU 31 2.220 -1.575 9.918 226 1HD2 LEU 31 HD21 LEU 31 2.004 1.929 8.961 227 2HD2 LEU 31 HD22 LEU 31 0.896 0.698 8.382 228 3HD2 LEU 31 HD23 LEU 31 2.627 0.333 8.510 229 H ASN 32 H ASN 32 -2.056 0.734 12.818 230 HA ASN 32 HA ASN 32 -1.876 -1.968 13.351 231 1HB ASN 32 HB2 ASN 32 -2.332 -0.140 15.040 232 2HB ASN 32 HB1 ASN 32 -3.946 -0.050 14.303 233 1HD2 ASN 32 HD21 ASN 32 -5.480 -1.599 14.712 234 2HD2 ASN 32 HD22 ASN 32 -5.208 -2.797 15.909 235 H MET 33 H MET 33 -4.434 0.020 12.005 236 HA MET 33 HA MET 33 -6.300 -2.131 11.930 237 1HB MET 33 HB2 MET 33 -6.417 0.462 10.405 238 2HB MET 33 HB1 MET 33 -7.758 -0.635 10.708 239 1HG MET 33 HG2 MET 33 -6.214 0.950 12.690 240 2HG MET 33 HG1 MET 33 -7.886 1.255 12.199 241 1HE MET 33 HE1 MET 33 -9.883 -0.491 12.778 242 2HE MET 33 HE2 MET 33 -9.651 -1.965 13.721 243 3HE MET 33 HE3 MET 33 -8.943 -1.828 12.115 244 H PHE 34 H PHE 34 -3.993 -0.727 9.759 245 HA PHE 34 HA PHE 34 -4.812 -2.061 7.433 246 1HB PHE 34 HB2 PHE 34 -3.298 -0.217 7.215 247 2HB PHE 34 HB1 PHE 34 -2.131 -0.938 8.286 248 HD1 PHE 34 HD1 PHE 34 -3.812 -1.518 4.951 249 HD2 PHE 34 HD2 PHE 34 -0.396 -2.200 7.434 250 HE1 PHE 34 HE1 PHE 34 -2.656 -2.544 3.068 251 HE2 PHE 34 HE2 PHE 34 0.767 -3.233 5.518 252 HZ PHE 34 HZ PHE 34 -0.369 -3.405 3.337 253 H THR 35 H THR 35 -2.272 -2.893 9.746 254 HA THR 35 HA THR 35 -1.805 -5.383 8.467 255 HB THR 35 HB THR 35 0.052 -4.422 9.669 256 HG1 THR 35 HG1 THR 35 0.720 -6.303 10.176 257 1HG2 THR 35 HG21 THR 35 0.084 -4.226 12.124 258 2HG2 THR 35 HG22 THR 35 -1.634 -4.672 12.156 259 3HG2 THR 35 HG23 THR 35 -1.111 -3.188 11.347 260 H PHE 36 H PHE 36 -3.914 -4.359 10.973 261 HA PHE 36 HA PHE 36 -4.700 -6.908 11.916 262 1HB PHE 36 HB2 PHE 36 -5.335 -5.066 13.281 263 2HB PHE 36 HB1 PHE 36 -6.043 -4.189 11.967 264 HD1 PHE 36 HD1 PHE 36 -6.435 -7.502 13.599 265 HD2 PHE 36 HD2 PHE 36 -8.311 -4.101 11.921 266 HE1 PHE 36 HE1 PHE 36 -8.639 -8.419 14.248 267 HE2 PHE 36 HE2 PHE 36 -10.529 -4.991 12.548 268 HZ PHE 36 HZ PHE 36 -10.691 -7.153 13.711 269 H HIS 37 H HIS 37 -6.258 -4.729 9.594 270 HA HIS 37 HA HIS 37 -8.215 -6.504 8.718 271 1HB HIS 37 HB2 HIS 37 -8.714 -4.339 8.197 272 2HB HIS 37 HB1 HIS 37 -7.061 -3.913 7.831 273 HD1 HIS 37 HD1 HIS 37 -10.085 -5.633 6.223 274 HD2 HIS 37 HD2 HIS 37 -6.483 -3.826 5.199 275 HE1 HIS 37 HE1 HIS 37 -10.158 -5.333 3.745 276 H VAL 38 H VAL 38 -4.909 -6.112 7.756 277 HA VAL 38 HA VAL 38 -5.094 -7.828 5.506 278 HB VAL 38 HB VAL 38 -2.763 -6.800 7.113 279 1HG1 VAL 38 HG11 VAL 38 -1.256 -7.805 5.391 280 2HG1 VAL 38 HG12 VAL 38 -2.654 -8.569 4.635 281 3HG1 VAL 38 HG13 VAL 38 -2.156 -9.053 6.258 282 1HG2 VAL 38 HG21 VAL 38 -3.658 -6.321 4.276 283 2HG2 VAL 38 HG22 VAL 38 -2.245 -5.585 5.037 284 3HG2 VAL 38 HG23 VAL 38 -3.868 -5.230 5.643 285 H ASP 39 H ASP 39 -3.871 -8.311 8.836 286 HA ASP 39 HA ASP 39 -3.200 -11.020 8.487 287 1HB ASP 39 HB2 ASP 39 -2.405 -9.594 10.353 288 2HB ASP 39 HB1 ASP 39 -4.028 -9.595 11.024 289 H SER 40 H SER 40 -6.146 -9.432 9.119 290 HA SER 40 HA SER 40 -7.579 -11.780 9.985 291 1HB SER 40 HB2 SER 40 -8.095 -9.565 10.898 292 2HB SER 40 HB1 SER 40 -8.500 -8.989 9.298 293 HG SER 40 HG SER 40 -10.401 -9.540 9.796 294 H GLU 41 H GLU 41 -7.429 -9.808 7.053 295 HA GLU 41 HA GLU 41 -9.446 -11.610 5.926 296 1HB GLU 41 HB2 GLU 41 -8.744 -8.803 5.160 297 2HB GLU 41 HB1 GLU 41 -9.937 -9.801 4.327 298 1HG GLU 41 HG2 GLU 41 -11.228 -10.008 6.352 299 2HG GLU 41 HG1 GLU 41 -9.987 -9.124 7.238 300 H HIS 42 H HIS 42 -6.261 -10.318 5.216 301 HA HIS 42 HA HIS 42 -5.946 -12.381 3.244 302 1HB HIS 42 HB2 HIS 42 -4.684 -10.237 2.060 303 2HB HIS 42 HB1 HIS 42 -6.143 -10.999 1.420 304 HD1 HIS 42 HD1 HIS 42 -8.365 -9.565 1.768 305 HD2 HIS 42 HD2 HIS 42 -4.905 -7.692 3.147 306 HE1 HIS 42 HE1 HIS 42 -8.986 -7.186 2.128 307 HA PRO 43 HA PRO 43 -2.441 -11.569 6.248 308 1HB PRO 43 HB2 PRO 43 -2.062 -14.166 6.950 309 2HB PRO 43 HB1 PRO 43 -3.216 -13.092 7.753 310 1HG PRO 43 HG2 PRO 43 -3.701 -15.087 5.567 311 2HG PRO 43 HG1 PRO 43 -4.612 -14.851 7.070 312 1HD PRO 43 HD2 PRO 43 -5.516 -13.836 4.796 313 2HD PRO 43 HD1 PRO 43 -5.612 -12.898 6.305 314 H ASN 44 H ASN 44 -2.626 -14.027 3.681 315 HA ASN 44 HA ASN 44 0.324 -13.833 3.543 316 1HB ASN 44 HB2 ASN 44 -0.540 -16.066 4.355 317 2HB ASN 44 HB1 ASN 44 -1.224 -16.303 2.754 318 1HD2 ASN 44 HD21 ASN 44 1.677 -16.070 4.595 319 2HD2 ASN 44 HD22 ASN 44 2.764 -16.664 3.409 320 H VAL 45 H VAL 45 -2.566 -14.513 1.628 321 HA VAL 45 HA VAL 45 -3.206 -14.061 -0.480 322 HB VAL 45 HB VAL 45 -0.856 -12.128 -0.637 323 1HG1 VAL 45 HG11 VAL 45 -1.963 -12.497 -2.794 324 2HG1 VAL 45 HG12 VAL 45 -2.288 -10.866 -2.190 325 3HG1 VAL 45 HG13 VAL 45 -3.518 -12.123 -2.048 326 1HG2 VAL 45 HG21 VAL 45 -2.114 -11.764 1.334 327 2HG2 VAL 45 HG22 VAL 45 -3.612 -11.731 0.389 328 3HG2 VAL 45 HG23 VAL 45 -2.399 -10.442 0.178 329 H VAL 46 H VAL 46 -2.478 -14.275 -2.848 330 HA VAL 46 HA VAL 46 -0.419 -16.203 -2.706 331 HB VAL 46 HB VAL 46 -1.141 -17.090 -4.956 332 1HG1 VAL 46 HG11 VAL 46 -3.240 -16.995 -2.795 333 2HG1 VAL 46 HG12 VAL 46 -1.914 -18.151 -2.928 334 3HG1 VAL 46 HG13 VAL 46 -3.206 -18.145 -4.129 335 1HG2 VAL 46 HG21 VAL 46 -3.354 -16.399 -5.806 336 2HG2 VAL 46 HG22 VAL 46 -2.173 -15.095 -5.858 337 3HG2 VAL 46 HG23 VAL 46 -3.403 -15.120 -4.591 338 H LEU 47 H LEU 47 0.850 -16.411 -4.952 339 HA LEU 47 HA LEU 47 2.652 -14.307 -4.919 340 1HB LEU 47 HB2 LEU 47 2.290 -16.412 -7.050 341 2HB LEU 47 HB1 LEU 47 3.651 -15.328 -6.961 342 HG LEU 47 HG LEU 47 4.392 -17.393 -6.151 343 1HD1 LEU 47 HD11 LEU 47 5.241 -15.567 -4.870 344 2HD1 LEU 47 HD12 LEU 47 5.036 -16.983 -3.844 345 3HD1 LEU 47 HD13 LEU 47 3.872 -15.664 -3.760 346 1HD2 LEU 47 HD21 LEU 47 2.045 -17.499 -4.250 347 2HD2 LEU 47 HD22 LEU 47 3.349 -18.682 -4.351 348 3HD2 LEU 47 HD23 LEU 47 2.243 -18.473 -5.708 349 H ASN 48 H ASN 48 3.211 -12.658 -6.297 350 HA ASN 48 HA ASN 48 1.965 -11.981 -8.698 351 1HB ASN 48 HB2 ASN 48 0.607 -10.045 -8.009 352 2HB ASN 48 HB1 ASN 48 -0.014 -11.505 -7.253 353 1HD2 ASN 48 HD21 ASN 48 0.172 -11.733 -4.969 354 2HD2 ASN 48 HD22 ASN 48 0.586 -10.412 -3.972 355 H SER 49 H SER 49 2.705 -9.736 -9.383 356 HA SER 49 HA SER 49 5.170 -9.003 -7.972 357 1HB SER 49 HB2 SER 49 4.390 -8.533 -10.869 358 2HB SER 49 HB1 SER 49 5.936 -8.111 -10.135 359 HG SER 49 HG SER 49 4.847 -10.709 -10.385 360 H SER 50 H SER 50 4.959 -7.152 -6.779 361 HA SER 50 HA SER 50 3.418 -4.938 -7.750 362 1HB SER 50 HB2 SER 50 2.927 -6.390 -5.162 363 2HB SER 50 HB1 SER 50 2.212 -4.851 -5.612 364 HG SER 50 HG SER 50 1.564 -7.402 -6.322 365 H TYR 51 H TYR 51 3.654 -3.172 -5.949 366 HA TYR 51 HA TYR 51 6.402 -3.185 -4.922 367 1HB TYR 51 HB2 TYR 51 4.806 -1.176 -6.379 368 2HB TYR 51 HB1 TYR 51 5.748 -0.580 -5.030 369 HD1 TYR 51 HD1 TYR 51 6.627 -3.233 -7.513 370 HD2 TYR 51 HD2 TYR 51 7.417 0.663 -6.006 371 HE1 TYR 51 HE1 TYR 51 8.597 -3.079 -8.972 372 HE2 TYR 51 HE2 TYR 51 9.402 0.821 -7.461 373 HH TYR 51 HH TYR 51 10.047 -1.478 -9.959 374 H VAL 52 H VAL 52 6.703 -2.616 -2.843 375 HA VAL 52 HA VAL 52 4.378 -1.742 -1.273 376 HB VAL 52 HB VAL 52 4.800 -4.171 -0.924 377 1HG1 VAL 52 HG11 VAL 52 7.454 -3.330 0.114 378 2HG1 VAL 52 HG12 VAL 52 7.131 -4.197 -1.404 379 3HG1 VAL 52 HG13 VAL 52 6.765 -4.957 0.138 380 1HG2 VAL 52 HG21 VAL 52 5.564 -2.541 1.466 381 2HG2 VAL 52 HG22 VAL 52 5.038 -4.227 1.485 382 3HG2 VAL 52 HG23 VAL 52 3.932 -2.964 0.952 383 H CYS 53 H CYS 53 4.779 -0.155 0.167 384 HA CYS 53 HA CYS 53 7.427 1.116 0.262 385 1HB CYS 53 HB2 CYS 53 5.510 2.563 0.313 386 2HB CYS 53 HB1 CYS 53 4.766 1.667 1.619 387 H VAL 54 H VAL 54 8.828 -0.233 1.315 388 HA VAL 54 HA VAL 54 8.229 -2.124 3.221 389 HB VAL 54 HB VAL 54 10.743 -0.821 3.786 390 1HG1 VAL 54 HG11 VAL 54 10.191 -3.104 4.340 391 2HG1 VAL 54 HG12 VAL 54 11.619 -2.965 3.265 392 3HG1 VAL 54 HG13 VAL 54 10.050 -3.405 2.594 393 1HG2 VAL 54 HG21 VAL 54 10.088 -1.451 0.952 394 2HG2 VAL 54 HG22 VAL 54 11.736 -1.503 1.569 395 3HG2 VAL 54 HG23 VAL 54 10.804 -0.007 1.630 396 H GLU 55 H GLU 55 8.853 1.240 3.519 397 HA GLU 55 HA GLU 55 9.377 1.532 6.187 398 1HB GLU 55 HB2 GLU 55 7.767 3.463 4.540 399 2HB GLU 55 HB1 GLU 55 8.801 3.847 5.909 400 1HG GLU 55 HG2 GLU 55 9.760 2.779 3.252 401 2HG GLU 55 HG1 GLU 55 9.787 4.464 3.743 402 H CYS 56 H CYS 56 6.401 1.392 4.443 403 HA CYS 56 HA CYS 56 4.782 1.580 6.975 404 1HB CYS 56 HB2 CYS 56 3.762 1.498 4.158 405 2HB CYS 56 HB1 CYS 56 2.913 2.099 5.588 406 H ASN 57 H ASN 57 5.933 -0.473 4.675 407 HA ASN 57 HA ASN 57 5.621 -2.434 3.793 408 1HB ASN 57 HB2 ASN 57 5.916 -2.873 6.365 409 2HB ASN 57 HB1 ASN 57 4.296 -3.502 6.195 410 1HD2 ASN 57 HD21 ASN 57 7.264 -3.616 4.825 411 2HD2 ASN 57 HD22 ASN 57 7.216 -5.283 4.348 412 H PHE 58 H PHE 58 4.032 -0.977 2.780 413 HA PHE 58 HA PHE 58 1.470 -2.298 2.956 414 1HB PHE 58 HB2 PHE 58 0.197 -0.395 2.950 415 2HB PHE 58 HB1 PHE 58 1.663 0.301 3.625 416 HD1 PHE 58 HD1 PHE 58 -0.534 0.093 0.751 417 HD2 PHE 58 HD2 PHE 58 2.958 1.901 2.292 418 HE1 PHE 58 HE1 PHE 58 -0.631 1.814 -1.053 419 HE2 PHE 58 HE2 PHE 58 2.882 3.601 0.470 420 HZ PHE 58 HZ PHE 58 1.082 3.545 -1.184 421 H LEU 59 H LEU 59 0.730 -3.166 1.126 422 HA LEU 59 HA LEU 59 2.364 -2.908 -1.251 423 1HB LEU 59 HB2 LEU 59 0.681 -5.002 -0.079 424 2HB LEU 59 HB1 LEU 59 0.573 -4.887 -1.819 425 HG LEU 59 HG LEU 59 3.183 -5.216 -0.348 426 1HD1 LEU 59 HD11 LEU 59 1.475 -7.216 -1.801 427 2HD1 LEU 59 HD12 LEU 59 1.580 -7.098 -0.044 428 3HD1 LEU 59 HD13 LEU 59 3.009 -7.546 -0.984 429 1HD2 LEU 59 HD21 LEU 59 3.362 -4.211 -2.575 430 2HD2 LEU 59 HD22 LEU 59 2.354 -5.485 -3.237 431 3HD2 LEU 59 HD23 LEU 59 3.943 -5.874 -2.598 432 H THR 60 H THR 60 1.533 -1.985 -3.049 433 HA THR 60 HA THR 60 -1.303 -1.333 -2.998 434 HB THR 60 HB THR 60 -0.287 0.665 -2.446 435 HG1 THR 60 HG1 THR 60 -1.789 0.985 -4.072 436 1HG2 THR 60 HG21 THR 60 1.730 0.300 -4.661 437 2HG2 THR 60 HG22 THR 60 2.009 0.100 -2.934 438 3HG2 THR 60 HG23 THR 60 1.635 1.686 -3.570 439 H LYS 61 H LYS 61 -2.170 -0.752 -5.126 440 HA LYS 61 HA LYS 61 -1.649 -2.943 -6.964 441 1HB LYS 61 HB2 LYS 61 -3.565 -0.641 -7.256 442 2HB LYS 61 HB1 LYS 61 -3.602 -2.162 -8.121 443 1HG LYS 61 HG2 LYS 61 -4.172 -3.337 -6.090 444 2HG LYS 61 HG1 LYS 61 -4.040 -1.836 -5.171 445 1HD LYS 61 HD2 LYS 61 -5.823 -0.864 -6.612 446 2HD LYS 61 HD1 LYS 61 -6.008 -2.445 -7.373 447 1HE LYS 61 HE2 LYS 61 -7.683 -2.104 -5.622 448 2HE LYS 61 HE1 LYS 61 -6.579 -3.423 -5.224 449 1HZ LYS 61 HZ1 LYS 61 -5.402 -2.011 -3.736 450 2HZ LYS 61 HZ2 LYS 61 -7.006 -1.901 -3.319 451 3HZ LYS 61 HZ3 LYS 61 -6.245 -0.654 -4.196 452 H ARG 62 H ARG 62 -0.289 0.033 -6.594 453 HA ARG 62 HA ARG 62 0.298 0.320 -9.445 454 1HB ARG 62 HB2 ARG 62 -0.091 2.760 -9.211 455 2HB ARG 62 HB1 ARG 62 -1.544 1.779 -9.086 456 1HG ARG 62 HG2 ARG 62 -1.450 1.974 -6.636 457 2HG ARG 62 HG1 ARG 62 -0.023 2.999 -6.791 458 1HD ARG 62 HD2 ARG 62 -2.061 4.306 -6.476 459 2HD ARG 62 HD1 ARG 62 -1.312 4.629 -8.037 460 HE ARG 62 HE ARG 62 -3.592 2.843 -7.639 461 1HH1 ARG 62 HH11 ARG 62 -1.891 5.352 -9.514 462 2HH1 ARG 62 HH12 ARG 62 -3.044 5.469 -10.739 463 1HH2 ARG 62 HH21 ARG 62 -5.216 2.915 -9.412 464 2HH2 ARG 62 HH22 ARG 62 -4.950 3.993 -10.705 465 H TYR 63 H TYR 63 2.243 1.415 -9.872 466 HA TYR 63 HA TYR 63 4.172 1.207 -7.735 467 1HB TYR 63 HB2 TYR 63 4.480 1.892 -10.668 468 2HB TYR 63 HB1 TYR 63 5.826 1.841 -9.546 469 HD1 TYR 63 HD1 TYR 63 3.412 -0.713 -8.800 470 HD2 TYR 63 HD2 TYR 63 6.670 0.230 -11.371 471 HE1 TYR 63 HE1 TYR 63 3.703 -3.100 -9.293 472 HE2 TYR 63 HE2 TYR 63 6.969 -2.154 -11.869 473 HH TYR 63 HH TYR 63 4.633 -4.482 -11.014 474 H ASP 64 H ASP 64 2.270 3.596 -9.165 475 HA ASP 64 HA ASP 64 3.957 5.818 -8.594 476 1HB ASP 64 HB2 ASP 64 1.918 7.165 -8.975 477 2HB ASP 64 HB1 ASP 64 2.480 6.213 -10.366 478 H ALA 65 H ALA 65 1.546 4.194 -6.739 479 HA ALA 65 HA ALA 65 1.115 6.231 -4.817 480 1HB ALA 65 HB1 ALA 65 0.985 3.240 -4.487 481 2HB ALA 65 HB2 ALA 65 -0.360 4.310 -4.899 482 3HB ALA 65 HB3 ALA 65 0.386 4.403 -3.312 483 H LEU 66 H LEU 66 3.724 4.095 -5.307 484 HA LEU 66 HA LEU 66 4.985 4.540 -2.730 485 1HB LEU 66 HB2 LEU 66 6.152 3.480 -5.251 486 2HB LEU 66 HB1 LEU 66 6.925 3.402 -3.682 487 HG LEU 66 HG LEU 66 6.175 1.267 -3.998 488 1HD1 LEU 66 HD11 LEU 66 3.911 2.583 -2.552 489 2HD1 LEU 66 HD12 LEU 66 5.443 2.063 -1.834 490 3HD1 LEU 66 HD13 LEU 66 4.311 0.866 -2.481 491 1HD2 LEU 66 HD21 LEU 66 3.619 2.369 -5.097 492 2HD2 LEU 66 HD22 LEU 66 3.992 0.652 -4.901 493 3HD2 LEU 66 HD23 LEU 66 4.951 1.661 -5.997 494 H SER 67 H SER 67 5.006 5.873 -5.847 495 HA SER 67 HA SER 67 7.521 7.289 -5.762 496 1HB SER 67 HB2 SER 67 5.070 7.220 -7.360 497 2HB SER 67 HB1 SER 67 6.308 8.410 -7.771 498 HG SER 67 HG SER 67 6.322 5.525 -7.814 499 H GLU 68 H GLU 68 4.126 8.166 -5.535 500 HA GLU 68 HA GLU 68 4.709 10.857 -4.801 501 1HB GLU 68 HB2 GLU 68 2.090 9.766 -4.055 502 2HB GLU 68 HB1 GLU 68 2.538 11.255 -4.889 503 1HG GLU 68 HG2 GLU 68 3.030 9.770 -6.907 504 2HG GLU 68 HG1 GLU 68 2.262 8.509 -6.014 505 H HIS 69 H HIS 69 4.537 7.936 -3.206 506 HA HIS 69 HA HIS 69 3.505 8.414 -0.727 507 1HB HIS 69 HB2 HIS 69 4.512 6.302 -1.694 508 2HB HIS 69 HB1 HIS 69 6.043 6.903 -1.032 509 HD1 HIS 69 HD1 HIS 69 2.584 5.905 0.125 510 HD2 HIS 69 HD2 HIS 69 6.439 6.401 1.483 511 HE1 HIS 69 HE1 HIS 69 2.568 5.059 2.499 512 H ASN 70 H ASN 70 7.002 8.851 -1.457 513 HA ASN 70 HA ASN 70 7.571 10.237 1.004 514 1HB ASN 70 HB2 ASN 70 9.762 10.692 -0.061 515 2HB ASN 70 HB1 ASN 70 9.337 8.993 -0.053 516 1HD2 ASN 70 HD21 ASN 70 11.184 10.140 -1.624 517 2HD2 ASN 70 HD22 ASN 70 10.682 9.961 -3.311 518 H LEU 71 H LEU 71 6.144 11.198 -1.780 519 HA LEU 71 HA LEU 71 6.919 13.948 -1.639 520 1HB LEU 71 HB2 LEU 71 6.373 13.345 -3.782 521 2HB LEU 71 HB1 LEU 71 5.111 12.247 -3.288 522 HG LEU 71 HG LEU 71 3.630 14.108 -2.924 523 1HD1 LEU 71 HD11 LEU 71 5.283 15.899 -2.425 524 2HD1 LEU 71 HD12 LEU 71 4.285 16.382 -3.798 525 3HD1 LEU 71 HD13 LEU 71 5.918 15.776 -4.065 526 1HD2 LEU 71 HD21 LEU 71 4.904 14.026 -5.643 527 2HD2 LEU 71 HD22 LEU 71 3.318 14.711 -5.278 528 3HD2 LEU 71 HD23 LEU 71 3.612 12.992 -5.030 529 H LYS 72 H LYS 72 4.016 12.077 -0.870 530 HA LYS 72 HA LYS 72 3.044 14.369 0.672 531 1HB LYS 72 HB2 LYS 72 0.841 12.814 0.341 532 2HB LYS 72 HB1 LYS 72 1.223 14.245 -0.642 533 1HG LYS 72 HG2 LYS 72 2.464 12.545 -2.110 534 2HG LYS 72 HG1 LYS 72 1.618 11.306 -1.228 535 1HD LYS 72 HD2 LYS 72 0.384 13.544 -2.817 536 2HD LYS 72 HD1 LYS 72 0.432 11.832 -3.241 537 1HE LYS 72 HE2 LYS 72 -1.003 11.305 -1.331 538 2HE LYS 72 HE1 LYS 72 -0.979 12.997 -0.851 539 1HZ LYS 72 HZ1 LYS 72 -2.104 13.588 -2.843 540 2HZ LYS 72 HZ2 LYS 72 -2.995 12.372 -2.082 541 3HZ LYS 72 HZ3 LYS 72 -2.044 12.011 -3.420 542 H TYR 73 H TYR 73 3.449 10.983 0.865 543 HA TYR 73 HA TYR 73 2.223 10.738 3.482 544 1HB TYR 73 HB2 TYR 73 3.683 8.799 1.727 545 2HB TYR 73 HB1 TYR 73 2.996 8.341 3.286 546 HD1 TYR 73 HD1 TYR 73 1.856 10.153 0.210 547 HD2 TYR 73 HD2 TYR 73 1.045 7.125 3.070 548 HE1 TYR 73 HE1 TYR 73 -0.158 9.613 -0.973 549 HE2 TYR 73 HE2 TYR 73 -1.012 6.546 1.876 550 HH TYR 73 HH TYR 73 -2.608 7.863 0.357 551 H HIS 74 H HIS 74 5.513 10.159 2.131 552 HA HIS 74 HA HIS 74 6.569 10.718 4.858 553 1HB HIS 74 HB2 HIS 74 7.799 9.044 2.654 554 2HB HIS 74 HB1 HIS 74 8.636 9.434 4.150 555 HD1 HIS 74 HD1 HIS 74 6.114 8.675 6.040 556 HD2 HIS 74 HD2 HIS 74 7.752 6.401 2.981 557 HE1 HIS 74 HE1 HIS 74 5.368 6.306 6.468 558 HA PRO 75 HA PRO 75 7.918 14.087 1.928 559 1HB PRO 75 HB2 PRO 75 7.301 16.189 3.465 560 2HB PRO 75 HB1 PRO 75 6.081 15.357 2.485 561 1HG PRO 75 HG2 PRO 75 6.698 15.004 5.405 562 2HG PRO 75 HG1 PRO 75 5.111 15.189 4.628 563 1HD PRO 75 HD2 PRO 75 6.094 12.752 5.305 564 2HD PRO 75 HD1 PRO 75 5.099 13.023 3.859 565 H GLY 76 H GLY 76 9.743 15.197 1.850 566 1HA GLY 76 HA2 GLY 76 11.236 16.456 3.655 567 2HA GLY 76 HA1 GLY 76 11.709 14.778 3.920 568 H GLU 77 H GLU 77 11.595 13.813 1.348 569 HA GLU 77 HA GLU 77 13.036 15.401 -0.508 570 1HB GLU 77 HB2 GLU 77 15.092 13.999 -0.533 571 2HB GLU 77 HB1 GLU 77 14.939 14.941 0.944 572 1HG GLU 77 HG2 GLU 77 14.257 12.999 2.176 573 2HG GLU 77 HG1 GLU 77 14.150 12.047 0.701 574 H GLU 78 H GLU 78 13.771 13.865 -2.373 575 HA GLU 78 HA GLU 78 11.822 11.683 -2.498 576 1HB GLU 78 HB2 GLU 78 11.353 13.625 -3.987 577 2HB GLU 78 HB1 GLU 78 12.937 13.322 -4.720 578 1HG GLU 78 HG2 GLU 78 12.175 11.144 -5.480 579 2HG GLU 78 HG1 GLU 78 10.598 11.414 -4.740 580 H ASN 79 H ASN 79 13.201 10.097 -1.807 581 HA ASN 79 HA ASN 79 15.166 9.158 -3.731 582 1HB ASN 79 HB2 ASN 79 15.898 9.745 -0.850 583 2HB ASN 79 HB1 ASN 79 16.905 8.810 -1.961 584 1HD2 ASN 79 HD21 ASN 79 15.635 11.854 -1.161 585 2HD2 ASN 79 HD22 ASN 79 16.550 12.868 -2.223 586 H PHE 80 H PHE 80 13.808 7.491 -4.038 587 HA PHE 80 HA PHE 80 13.403 5.674 -1.773 588 1HB PHE 80 HB2 PHE 80 11.662 6.531 -3.945 589 2HB PHE 80 HB1 PHE 80 11.828 4.789 -3.871 590 HD1 PHE 80 HD1 PHE 80 10.041 7.524 -2.729 591 HD2 PHE 80 HD2 PHE 80 11.532 3.792 -1.444 592 HE1 PHE 80 HE1 PHE 80 8.237 7.389 -1.023 593 HE2 PHE 80 HE2 PHE 80 9.742 3.631 0.229 594 HZ PHE 80 HZ PHE 80 8.091 5.431 0.435 595 H LYS 81 H LYS 81 14.096 3.623 -1.957 596 HA LYS 81 HA LYS 81 15.760 2.956 -4.297 597 1HB LYS 81 HB2 LYS 81 17.316 2.045 -2.828 598 2HB LYS 81 HB1 LYS 81 16.536 3.216 -1.751 599 1HG LYS 81 HG2 LYS 81 15.143 1.554 -0.795 600 2HG LYS 81 HG1 LYS 81 15.696 0.355 -1.946 601 1HD LYS 81 HD2 LYS 81 18.028 0.835 -1.002 602 2HD LYS 81 HD1 LYS 81 17.143 1.552 0.360 603 1HE LYS 81 HE2 LYS 81 15.880 -0.516 0.624 604 2HE LYS 81 HE1 LYS 81 16.771 -1.208 -0.728 605 1HZ LYS 81 HZ1 LYS 81 18.822 -0.933 0.579 606 2HZ LYS 81 HZ2 LYS 81 17.746 -1.984 1.293 607 3HZ LYS 81 HZ3 LYS 81 17.917 -0.417 1.912 608 H LEU 82 H LEU 82 15.793 0.466 -4.613 609 HA LEU 82 HA LEU 82 13.214 -0.638 -3.851 610 1HB LEU 82 HB2 LEU 82 13.049 -1.834 -5.974 611 2HB LEU 82 HB1 LEU 82 13.069 -0.106 -6.228 612 HG LEU 82 HG LEU 82 15.586 -1.704 -6.526 613 1HD1 LEU 82 HD11 LEU 82 15.039 -1.928 -8.916 614 2HD1 LEU 82 HD12 LEU 82 13.431 -1.262 -8.606 615 3HD1 LEU 82 HD13 LEU 82 13.897 -2.810 -7.906 616 1HD2 LEU 82 HD21 LEU 82 15.745 0.747 -6.512 617 2HD2 LEU 82 HD22 LEU 82 14.580 0.835 -7.833 618 3HD2 LEU 82 HD23 LEU 82 16.155 0.087 -8.093 619 H THR 83 H THR 83 13.228 -2.685 -3.185 620 HA THR 83 HA THR 83 15.605 -4.292 -3.456 621 HB THR 83 HB THR 83 16.058 -3.087 -1.401 622 HG1 THR 83 HG1 THR 83 16.076 -4.752 0.115 623 1HG2 THR 83 HG21 THR 83 13.360 -3.950 -0.379 624 2HG2 THR 83 HG22 THR 83 13.763 -2.323 -0.920 625 3HG2 THR 83 HG23 THR 83 14.545 -2.992 0.515 626 H MET 84 H MET 84 14.837 -6.433 -3.941 627 HA MET 84 HA MET 84 11.920 -6.703 -3.533 628 1HB MET 84 HB2 MET 84 13.547 -8.846 -4.859 629 2HB MET 84 HB1 MET 84 11.899 -8.341 -5.161 630 1HG MET 84 HG2 MET 84 13.140 -7.816 -7.088 631 2HG MET 84 HG1 MET 84 12.799 -6.310 -6.240 632 1HE MET 84 HE1 MET 84 15.610 -8.924 -5.186 633 2HE MET 84 HE2 MET 84 16.948 -8.377 -6.197 634 3HE MET 84 HE3 MET 84 15.502 -9.062 -6.939 635 H VAL 85 H VAL 85 11.647 -7.344 -1.483 636 HA VAL 85 HA VAL 85 12.525 -9.984 -0.876 637 HB VAL 85 HB VAL 85 13.052 -9.113 1.597 638 1HG1 VAL 85 HG11 VAL 85 14.652 -10.335 0.183 639 2HG1 VAL 85 HG12 VAL 85 15.442 -9.041 1.084 640 3HG1 VAL 85 HG13 VAL 85 15.074 -8.830 -0.626 641 1HG2 VAL 85 HG21 VAL 85 12.581 -6.760 1.164 642 2HG2 VAL 85 HG22 VAL 85 13.806 -6.745 -0.109 643 3HG2 VAL 85 HG23 VAL 85 14.289 -6.984 1.570 644 H LYS 86 H LYS 86 10.458 -10.859 -0.551 645 HA LYS 86 HA LYS 86 9.131 -9.487 1.614 646 1HB LYS 86 HB2 LYS 86 8.067 -8.848 -0.646 647 2HB LYS 86 HB1 LYS 86 7.390 -10.479 -0.618 648 1HG LYS 86 HG2 LYS 86 5.752 -9.073 0.164 649 2HG LYS 86 HG1 LYS 86 6.373 -9.919 1.588 650 1HD LYS 86 HD2 LYS 86 7.625 -8.008 2.296 651 2HD LYS 86 HD1 LYS 86 7.403 -7.200 0.760 652 1HE LYS 86 HE2 LYS 86 5.901 -6.063 2.168 653 2HE LYS 86 HE1 LYS 86 4.927 -7.223 1.307 654 1HZ LYS 86 HZ1 LYS 86 5.972 -7.696 4.056 655 2HZ LYS 86 HZ2 LYS 86 4.827 -8.653 3.270 656 3HZ LYS 86 HZ3 LYS 86 4.467 -7.079 3.724 657 H ARG 87 H ARG 87 9.053 -10.817 3.114 658 HA ARG 87 HA ARG 87 9.226 -13.621 2.403 659 1HB ARG 87 HB2 ARG 87 10.050 -12.196 4.942 660 2HB ARG 87 HB1 ARG 87 10.265 -13.912 4.627 661 1HG ARG 87 HG2 ARG 87 12.407 -12.997 4.180 662 2HG ARG 87 HG1 ARG 87 11.635 -13.160 2.594 663 1HD ARG 87 HD2 ARG 87 12.791 -11.014 2.757 664 2HD ARG 87 HD1 ARG 87 11.056 -10.809 2.579 665 HE ARG 87 HE ARG 87 11.971 -10.773 5.303 666 1HH1 ARG 87 HH11 ARG 87 11.154 -8.715 2.484 667 2HH1 ARG 87 HH12 ARG 87 11.160 -7.286 3.306 668 1HH2 ARG 87 HH21 ARG 87 11.979 -8.711 6.498 669 2HH2 ARG 87 HH22 ARG 87 11.672 -7.270 5.647 670 H ASN 88 H ASN 88 8.076 -15.117 3.710 671 HA ASN 88 HA ASN 88 6.246 -15.986 4.713 672 1HB ASN 88 HB2 ASN 88 6.535 -14.225 6.531 673 2HB ASN 88 HB1 ASN 88 5.514 -13.155 5.595 674 1HD2 ASN 88 HD21 ASN 88 5.166 -14.141 8.288 675 2HD2 ASN 88 HD22 ASN 88 3.673 -14.995 8.324 676 H ASN 89 H ASN 89 5.535 -12.901 3.341 677 HA ASN 89 HA ASN 89 3.014 -13.535 2.092 678 1HB ASN 89 HB2 ASN 89 4.928 -11.252 1.543 679 2HB ASN 89 HB1 ASN 89 3.238 -11.311 1.104 680 1HD2 ASN 89 HD21 ASN 89 5.541 -10.732 3.653 681 2HD2 ASN 89 HD22 ASN 89 4.397 -10.117 4.786 682 H GLN 90 H GLN 90 3.648 -12.108 -0.400 683 HA GLN 90 HA GLN 90 4.851 -14.277 -1.910 684 1HB GLN 90 HB2 GLN 90 3.918 -13.208 -3.818 685 2HB GLN 90 HB1 GLN 90 2.628 -13.338 -2.608 686 1HG GLN 90 HG2 GLN 90 4.215 -10.868 -3.103 687 2HG GLN 90 HG1 GLN 90 2.746 -11.232 -4.011 688 1HE2 GLN 90 HE21 GLN 90 4.111 -10.233 -1.036 689 2HE2 GLN 90 HE22 GLN 90 2.598 -9.799 -0.276 690 H THR 91 H THR 91 6.328 -13.418 -3.724 691 HA THR 91 HA THR 91 8.013 -11.493 -2.392 692 HB THR 91 HB THR 91 9.441 -12.422 -4.604 693 HG1 THR 91 HG1 THR 91 8.421 -14.680 -3.295 694 1HG2 THR 91 HG21 THR 91 9.470 -13.393 -1.696 695 2HG2 THR 91 HG22 THR 91 10.356 -12.029 -2.322 696 3HG2 THR 91 HG23 THR 91 10.755 -13.649 -2.867 697 H ILE 92 H ILE 92 7.853 -9.642 -2.804 698 HA ILE 92 HA ILE 92 7.222 -8.515 -5.352 699 HB ILE 92 HB ILE 92 5.755 -6.824 -4.101 700 1HG1 ILE 92 HG12 ILE 92 4.496 -8.083 -2.175 701 2HG1 ILE 92 HG11 ILE 92 6.015 -8.935 -2.077 702 1HG2 ILE 92 HG21 ILE 92 4.805 -8.359 -5.683 703 2HG2 ILE 92 HG22 ILE 92 3.735 -8.206 -4.295 704 3HG2 ILE 92 HG23 ILE 92 4.769 -9.631 -4.477 705 1HD1 ILE 92 HD11 ILE 92 5.883 -5.948 -2.001 706 2HD1 ILE 92 HD12 ILE 92 7.273 -6.976 -1.683 707 3HD1 ILE 92 HD13 ILE 92 5.897 -6.981 -0.586 708 H PHE 93 H PHE 93 7.654 -6.080 -5.365 709 HA PHE 93 HA PHE 93 10.410 -5.860 -4.430 710 1HB PHE 93 HB2 PHE 93 8.681 -3.991 -6.025 711 2HB PHE 93 HB1 PHE 93 10.395 -3.819 -5.771 712 HD1 PHE 93 HD1 PHE 93 7.784 -5.817 -7.428 713 HD2 PHE 93 HD2 PHE 93 11.873 -4.851 -7.134 714 HE1 PHE 93 HE1 PHE 93 8.161 -6.917 -9.597 715 HE2 PHE 93 HE2 PHE 93 12.307 -5.963 -9.319 716 HZ PHE 93 HZ PHE 93 10.433 -6.987 -10.546 717 H GLU 94 H GLU 94 10.886 -4.654 -2.663 718 HA GLU 94 HA GLU 94 8.808 -3.022 -1.509 719 1HB GLU 94 HB2 GLU 94 11.423 -3.947 -0.274 720 2HB GLU 94 HB1 GLU 94 10.073 -3.190 0.540 721 1HG GLU 94 HG2 GLU 94 8.764 -5.241 -0.276 722 2HG GLU 94 HG1 GLU 94 10.355 -5.989 -0.389 723 H GLN 95 H GLN 95 9.210 -0.887 -1.139 724 HA GLN 95 HA GLN 95 11.650 0.188 -2.406 725 1HB GLN 95 HB2 GLN 95 9.303 0.464 -3.550 726 2HB GLN 95 HB1 GLN 95 9.014 1.647 -2.282 727 1HG GLN 95 HG2 GLN 95 10.908 2.935 -3.001 728 2HG GLN 95 HG1 GLN 95 11.312 1.704 -4.189 729 1HE2 GLN 95 HE21 GLN 95 9.186 4.339 -3.366 730 2HE2 GLN 95 HE22 GLN 95 8.506 4.494 -4.943 731 H THR 96 H THR 96 12.951 1.026 -0.844 732 HA THR 96 HA THR 96 11.697 2.081 1.610 733 HB THR 96 HB THR 96 14.522 1.600 1.858 734 HG1 THR 96 HG1 THR 96 14.146 -0.798 1.797 735 1HG2 THR 96 HG21 THR 96 12.069 0.421 3.197 736 2HG2 THR 96 HG22 THR 96 12.982 1.794 3.744 737 3HG2 THR 96 HG23 THR 96 13.719 0.188 3.764 738 H ILE 97 H ILE 97 12.863 3.850 2.649 739 HA ILE 97 HA ILE 97 14.145 5.615 0.682 740 HB ILE 97 HB ILE 97 12.927 6.432 3.334 741 1HG1 ILE 97 HG12 ILE 97 11.483 6.596 0.726 742 2HG1 ILE 97 HG11 ILE 97 11.378 5.117 1.674 743 1HG2 ILE 97 HG21 ILE 97 13.218 7.884 0.694 744 2HG2 ILE 97 HG22 ILE 97 14.478 7.879 1.910 745 3HG2 ILE 97 HG23 ILE 97 12.922 8.599 2.291 746 1HD1 ILE 97 HD11 ILE 97 10.549 6.644 3.548 747 2HD1 ILE 97 HD12 ILE 97 9.524 6.251 2.200 748 3HD1 ILE 97 HD13 ILE 97 10.273 7.844 2.246 749 H ASN 98 H ASN 98 15.924 6.773 1.467 750 HA ASN 98 HA ASN 98 17.488 5.323 3.461 751 1HB ASN 98 HB2 ASN 98 19.342 6.827 2.529 752 2HB ASN 98 HB1 ASN 98 18.709 5.586 1.445 753 1HD2 ASN 98 HD21 ASN 98 17.091 8.700 2.156 754 2HD2 ASN 98 HD22 ASN 98 17.285 9.315 0.572 755 H ASP 99 H ASP 99 15.305 7.517 3.787 756 HA ASP 99 HA ASP 99 16.784 9.151 5.713 757 1HB ASP 99 HB2 ASP 99 16.950 10.189 3.498 758 2HB ASP 99 HB1 ASP 99 15.219 10.294 3.451 759 H LEU 100 H LEU 100 13.729 9.039 3.957 760 HA LEU 100 HA LEU 100 12.142 10.044 6.125 761 1HB LEU 100 HB2 LEU 100 11.189 8.783 3.579 762 2HB LEU 100 HB1 LEU 100 10.451 10.019 4.581 763 HG LEU 100 HG LEU 100 13.044 10.693 3.268 764 1HD1 LEU 100 HD11 LEU 100 11.658 9.658 1.474 765 2HD1 LEU 100 HD12 LEU 100 11.911 11.379 1.266 766 3HD1 LEU 100 HD13 LEU 100 10.373 10.786 1.903 767 1HD2 LEU 100 HD21 LEU 100 12.066 12.833 3.184 768 2HD2 LEU 100 HD22 LEU 100 11.863 12.193 4.834 769 3HD2 LEU 100 HD23 LEU 100 10.514 12.187 3.668 770 H THR 101 H THR 101 13.582 7.333 6.014 771 HA THR 101 HA THR 101 12.014 5.093 6.010 772 HB THR 101 HB THR 101 14.263 5.663 7.918 773 HG1 THR 101 HG1 THR 101 14.612 4.970 5.189 774 1HG2 THR 101 HG21 THR 101 13.276 3.391 7.947 775 2HG2 THR 101 HG22 THR 101 14.931 3.365 7.342 776 3HG2 THR 101 HG23 THR 101 13.583 3.245 6.215 777 H PHE 102 H PHE 102 12.554 7.553 8.438 778 HA PHE 102 HA PHE 102 10.855 6.090 10.344 779 1HB PHE 102 HB2 PHE 102 13.031 8.082 11.009 780 2HB PHE 102 HB1 PHE 102 12.080 7.134 12.149 781 HD1 PHE 102 HD1 PHE 102 15.042 7.280 10.189 782 HD2 PHE 102 HD2 PHE 102 12.325 4.589 12.047 783 HE1 PHE 102 HE1 PHE 102 16.742 5.515 10.095 784 HE2 PHE 102 HE2 PHE 102 14.027 2.811 11.963 785 HZ PHE 102 HZ PHE 102 16.240 3.273 10.982 Start of MODEL 11 1 HA MET 1 HA MET 1 -3.659 15.952 -24.008 2 1HB MET 1 HB2 MET 1 -2.575 16.255 -21.181 3 2HB MET 1 HB1 MET 1 -2.584 17.511 -22.397 4 1HG MET 1 HG2 MET 1 -4.331 17.977 -20.861 5 2HG MET 1 HG1 MET 1 -5.084 17.417 -22.351 6 1HE MET 1 HE1 MET 1 -7.354 17.159 -20.950 7 2HE MET 1 HE2 MET 1 -6.522 17.659 -19.479 8 3HE MET 1 HE3 MET 1 -7.484 16.184 -19.487 9 H ALA 2 H ALA 2 -1.619 16.828 -24.756 10 HA ALA 2 HA ALA 2 0.464 14.937 -25.012 11 1HB ALA 2 HB1 ALA 2 0.043 16.674 -26.687 12 2HB ALA 2 HB2 ALA 2 1.695 16.785 -26.078 13 3HB ALA 2 HB3 ALA 2 0.468 17.920 -25.515 14 H HIS 3 H HIS 3 -0.127 17.690 -23.010 15 HA HIS 3 HA HIS 3 2.402 17.642 -21.641 16 1HB HIS 3 HB2 HIS 3 -0.206 19.009 -20.883 17 2HB HIS 3 HB1 HIS 3 1.364 19.317 -20.163 18 HD1 HIS 3 HD1 HIS 3 2.525 21.336 -21.111 19 HD2 HIS 3 HD2 HIS 3 -0.207 19.686 -23.767 20 HE1 HIS 3 HE1 HIS 3 2.459 22.870 -23.112 21 H HIS 4 H HIS 4 2.818 16.390 -19.865 22 HA HIS 4 HA HIS 4 0.583 14.809 -18.840 23 1HB HIS 4 HB2 HIS 4 2.213 13.211 -17.971 24 2HB HIS 4 HB1 HIS 4 2.584 13.539 -19.650 25 HD1 HIS 4 HD1 HIS 4 4.937 14.696 -20.121 26 HD2 HIS 4 HD2 HIS 4 4.106 13.977 -16.108 27 HE1 HIS 4 HE1 HIS 4 7.100 14.978 -18.900 28 H HIS 5 H HIS 5 1.262 17.594 -18.229 29 HA HIS 5 HA HIS 5 2.370 17.980 -15.710 30 1HB HIS 5 HB2 HIS 5 1.997 19.809 -17.314 31 2HB HIS 5 HB1 HIS 5 0.261 19.665 -17.077 32 HD1 HIS 5 HD1 HIS 5 -0.574 21.528 -15.596 33 HD2 HIS 5 HD2 HIS 5 3.259 20.275 -14.560 34 HE1 HIS 5 HE1 HIS 5 0.120 22.947 -13.652 35 H HIS 6 H HIS 6 -0.891 16.949 -16.490 36 HA HIS 6 HA HIS 6 -1.780 17.439 -13.793 37 1HB HIS 6 HB2 HIS 6 -3.193 15.996 -16.047 38 2HB HIS 6 HB1 HIS 6 -3.900 16.380 -14.487 39 HD1 HIS 6 HD1 HIS 6 -3.596 17.694 -17.811 40 HD2 HIS 6 HD2 HIS 6 -3.923 19.289 -14.004 41 HE1 HIS 6 HE1 HIS 6 -4.439 20.066 -18.108 42 H HIS 7 H HIS 7 0.247 15.299 -14.971 43 HA HIS 7 HA HIS 7 1.200 13.425 -14.286 44 1HB HIS 7 HB2 HIS 7 0.860 14.333 -11.979 45 2HB HIS 7 HB1 HIS 7 -0.690 13.507 -11.898 46 HD1 HIS 7 HD1 HIS 7 -0.566 11.231 -10.773 47 HD2 HIS 7 HD2 HIS 7 3.076 12.491 -12.323 48 HE1 HIS 7 HE1 HIS 7 1.098 9.450 -10.174 49 H HIS 8 H HIS 8 -2.003 12.811 -13.096 50 HA HIS 8 HA HIS 8 -3.158 11.424 -15.189 51 1HB HIS 8 HB2 HIS 8 -1.222 9.765 -14.585 52 2HB HIS 8 HB1 HIS 8 -2.075 9.498 -13.073 53 HD1 HIS 8 HD1 HIS 8 -2.011 8.430 -16.629 54 HD2 HIS 8 HD2 HIS 8 -4.628 8.184 -13.410 55 HE1 HIS 8 HE1 HIS 8 -3.703 6.678 -17.231 56 H ASN 9 H ASN 9 -3.767 13.398 -13.325 57 HA ASN 9 HA ASN 9 -5.035 12.161 -11.055 58 1HB ASN 9 HB2 ASN 9 -3.760 14.314 -10.847 59 2HB ASN 9 HB1 ASN 9 -5.033 15.089 -11.787 60 1HD2 ASN 9 HD21 ASN 9 -5.595 16.457 -10.113 61 2HD2 ASN 9 HD22 ASN 9 -6.425 15.900 -8.702 62 H GLN 10 H GLN 10 -6.238 11.105 -12.958 63 HA GLN 10 HA GLN 10 -8.921 12.329 -13.118 64 1HB GLN 10 HB2 GLN 10 -9.286 10.775 -15.053 65 2HB GLN 10 HB1 GLN 10 -8.011 11.942 -15.365 66 1HG GLN 10 HG2 GLN 10 -6.315 10.289 -14.976 67 2HG GLN 10 HG1 GLN 10 -7.513 9.121 -14.436 68 1HE2 GLN 10 HE21 GLN 10 -6.856 7.665 -15.953 69 2HE2 GLN 10 HE22 GLN 10 -7.213 7.794 -17.631 70 H GLN 11 H GLN 11 -7.253 10.690 -11.226 71 HA GLN 11 HA GLN 11 -9.029 8.403 -10.862 72 1HB GLN 11 HB2 GLN 11 -6.101 8.549 -11.045 73 2HB GLN 11 HB1 GLN 11 -6.743 7.539 -9.759 74 1HG GLN 11 HG2 GLN 11 -7.547 7.314 -12.639 75 2HG GLN 11 HG1 GLN 11 -6.303 6.324 -11.867 76 1HE2 GLN 11 HE21 GLN 11 -8.913 5.603 -12.993 77 2HE2 GLN 11 HE22 GLN 11 -9.732 4.757 -11.722 78 H ASN 12 H ASN 12 -10.241 8.981 -9.165 79 HA ASN 12 HA ASN 12 -8.826 9.849 -6.768 80 1HB ASN 12 HB2 ASN 12 -11.072 10.313 -5.782 81 2HB ASN 12 HB1 ASN 12 -10.795 11.218 -7.258 82 1HD2 ASN 12 HD21 ASN 12 -12.972 11.540 -7.541 83 2HD2 ASN 12 HD22 ASN 12 -14.058 10.308 -8.060 84 H LYS 13 H LYS 13 -9.716 7.108 -8.282 85 HA LYS 13 HA LYS 13 -10.508 5.519 -5.996 86 1HB LYS 13 HB2 LYS 13 -9.728 4.694 -8.797 87 2HB LYS 13 HB1 LYS 13 -10.422 3.630 -7.597 88 1HG LYS 13 HG2 LYS 13 -11.782 6.033 -8.806 89 2HG LYS 13 HG1 LYS 13 -12.027 4.372 -9.318 90 1HD LYS 13 HD2 LYS 13 -12.626 5.392 -6.528 91 2HD LYS 13 HD1 LYS 13 -13.810 5.325 -7.823 92 1HE LYS 13 HE2 LYS 13 -14.184 3.402 -6.486 93 2HE LYS 13 HE1 LYS 13 -13.388 2.835 -7.940 94 1HZ LYS 13 HZ1 LYS 13 -12.565 1.819 -5.876 95 2HZ LYS 13 HZ2 LYS 13 -12.005 3.303 -5.343 96 3HZ LYS 13 HZ3 LYS 13 -11.336 2.575 -6.716 97 H LYS 14 H LYS 14 -7.726 6.786 -7.080 98 HA LYS 14 HA LYS 14 -6.067 4.552 -6.351 99 1HB LYS 14 HB2 LYS 14 -4.154 5.900 -7.083 100 2HB LYS 14 HB1 LYS 14 -5.380 5.839 -8.320 101 1HG LYS 14 HG2 LYS 14 -4.662 8.042 -8.395 102 2HG LYS 14 HG1 LYS 14 -6.122 8.140 -7.410 103 1HD LYS 14 HD2 LYS 14 -4.497 9.461 -6.286 104 2HD LYS 14 HD1 LYS 14 -4.594 7.932 -5.406 105 1HE LYS 14 HE2 LYS 14 -2.304 8.517 -5.606 106 2HE LYS 14 HE1 LYS 14 -2.592 7.135 -6.649 107 1HZ LYS 14 HZ1 LYS 14 -2.544 8.578 -8.574 108 2HZ LYS 14 HZ2 LYS 14 -1.219 8.967 -7.544 109 3HZ LYS 14 HZ3 LYS 14 -2.534 9.944 -7.569 110 H VAL 15 H VAL 15 -4.240 4.990 -4.903 111 HA VAL 15 HA VAL 15 -4.848 5.164 -2.319 112 HB VAL 15 HB VAL 15 -2.678 4.679 -3.651 113 1HG1 VAL 15 HG11 VAL 15 -0.836 6.288 -3.217 114 2HG1 VAL 15 HG12 VAL 15 -2.096 7.453 -2.802 115 3HG1 VAL 15 HG13 VAL 15 -2.043 6.763 -4.425 116 1HG2 VAL 15 HG21 VAL 15 -2.935 3.994 -1.360 117 2HG2 VAL 15 HG22 VAL 15 -2.564 5.632 -0.813 118 3HG2 VAL 15 HG23 VAL 15 -1.317 4.670 -1.586 119 H GLU 16 H GLU 16 -5.476 6.717 -0.832 120 HA GLU 16 HA GLU 16 -5.386 9.510 -1.682 121 1HB GLU 16 HB2 GLU 16 -6.659 8.337 0.767 122 2HB GLU 16 HB1 GLU 16 -6.907 9.942 0.106 123 1HG GLU 16 HG2 GLU 16 -7.936 8.960 -1.854 124 2HG GLU 16 HG1 GLU 16 -7.654 7.357 -1.165 125 H GLY 17 H GLY 17 -5.128 8.130 1.560 126 1HA GLY 17 HA2 GLY 17 -2.474 9.291 1.835 127 2HA GLY 17 HA1 GLY 17 -3.745 9.910 2.898 128 H GLY 18 H GLY 18 -4.408 6.767 2.325 129 1HA GLY 18 HA2 GLY 18 -2.978 6.035 4.750 130 2HA GLY 18 HA1 GLY 18 -4.540 5.352 4.283 131 H TYR 19 H TYR 19 -3.730 3.261 4.408 132 HA TYR 19 HA TYR 19 -1.694 2.574 2.406 133 1HB TYR 19 HB2 TYR 19 -2.623 0.877 4.708 134 2HB TYR 19 HB1 TYR 19 -1.153 0.694 3.753 135 HD1 TYR 19 HD1 TYR 19 -2.222 1.540 6.857 136 HD2 TYR 19 HD2 TYR 19 0.244 3.119 3.775 137 HE1 TYR 19 HE1 TYR 19 -1.113 2.946 8.485 138 HE2 TYR 19 HE2 TYR 19 1.384 4.547 5.419 139 HH TYR 19 HH TYR 19 0.762 5.552 7.595 140 H GLU 20 H GLU 20 -2.414 1.888 0.678 141 HA GLU 20 HA GLU 20 -5.060 0.693 0.419 142 1HB GLU 20 HB2 GLU 20 -4.446 2.533 -1.076 143 2HB GLU 20 HB1 GLU 20 -2.977 1.690 -1.543 144 1HG GLU 20 HG2 GLU 20 -4.566 -0.144 -2.373 145 2HG GLU 20 HG1 GLU 20 -5.813 1.085 -2.252 146 H CYS 21 H CYS 21 -5.015 -1.488 0.544 147 HA CYS 21 HA CYS 21 -2.640 -3.059 0.232 148 1HB CYS 21 HB2 CYS 21 -5.509 -3.948 0.021 149 2HB CYS 21 HB1 CYS 21 -4.123 -5.014 0.104 150 H LYS 22 H LYS 22 -2.034 -4.314 -1.488 151 HA LYS 22 HA LYS 22 -2.919 -3.575 -4.070 152 1HB LYS 22 HB2 LYS 22 -0.610 -4.205 -3.756 153 2HB LYS 22 HB1 LYS 22 -1.070 -5.783 -3.148 154 1HG LYS 22 HG2 LYS 22 -2.010 -5.134 -5.867 155 2HG LYS 22 HG1 LYS 22 -0.270 -5.348 -5.677 156 1HD LYS 22 HD2 LYS 22 -0.537 -7.523 -4.835 157 2HD LYS 22 HD1 LYS 22 -2.268 -7.311 -4.604 158 1HE LYS 22 HE2 LYS 22 -1.639 -8.708 -6.619 159 2HE LYS 22 HE1 LYS 22 -2.690 -7.332 -6.957 160 1HZ LYS 22 HZ1 LYS 22 0.244 -7.216 -7.249 161 2HZ LYS 22 HZ2 LYS 22 -0.900 -6.156 -7.903 162 3HZ LYS 22 HZ3 LYS 22 -0.756 -7.718 -8.504 163 H TYR 23 H TYR 23 -3.918 -5.990 -1.824 164 HA TYR 23 HA TYR 23 -5.229 -7.443 -3.961 165 1HB TYR 23 HB2 TYR 23 -5.554 -8.939 -1.604 166 2HB TYR 23 HB1 TYR 23 -4.494 -9.291 -2.958 167 HD1 TYR 23 HD1 TYR 23 -2.094 -8.764 -2.824 168 HD2 TYR 23 HD2 TYR 23 -4.680 -8.034 0.469 169 HE1 TYR 23 HE1 TYR 23 -0.141 -8.553 -1.347 170 HE2 TYR 23 HE2 TYR 23 -2.730 -7.816 1.955 171 HH TYR 23 HH TYR 23 -0.350 -8.621 1.997 172 H CYS 24 H CYS 24 -5.988 -5.013 -2.000 173 HA CYS 24 HA CYS 24 -8.745 -5.444 -2.441 174 1HB CYS 24 HB2 CYS 24 -9.518 -5.305 -0.113 175 2HB CYS 24 HB1 CYS 24 -8.386 -6.642 -0.298 176 H THR 25 H THR 25 -9.752 -3.472 -2.661 177 HA THR 25 HA THR 25 -7.939 -1.232 -2.750 178 HB THR 25 HB THR 25 -10.890 -1.220 -3.491 179 HG1 THR 25 HG1 THR 25 -10.126 -2.852 -4.681 180 1HG2 THR 25 HG21 THR 25 -10.188 0.503 -5.088 181 2HG2 THR 25 HG22 THR 25 -8.506 0.296 -4.595 182 3HG2 THR 25 HG23 THR 25 -9.682 0.956 -3.457 183 H PHE 26 H PHE 26 -9.278 -2.545 -0.282 184 HA PHE 26 HA PHE 26 -10.610 -0.330 0.972 185 1HB PHE 26 HB2 PHE 26 -11.276 -2.653 1.529 186 2HB PHE 26 HB1 PHE 26 -9.653 -2.977 2.120 187 HD1 PHE 26 HD1 PHE 26 -9.113 -2.559 4.361 188 HD2 PHE 26 HD2 PHE 26 -12.626 -0.834 2.696 189 HE1 PHE 26 HE1 PHE 26 -9.785 -1.788 6.596 190 HE2 PHE 26 HE2 PHE 26 -13.305 -0.060 4.926 191 HZ PHE 26 HZ PHE 26 -11.888 -0.535 6.879 192 H GLN 27 H GLN 27 -9.463 1.286 1.566 193 HA GLN 27 HA GLN 27 -6.693 0.889 2.356 194 1HB GLN 27 HB2 GLN 27 -6.582 2.275 0.512 195 2HB GLN 27 HB1 GLN 27 -8.087 3.094 0.913 196 1HG GLN 27 HG2 GLN 27 -7.017 4.403 2.576 197 2HG GLN 27 HG1 GLN 27 -5.580 3.385 2.492 198 1HE2 GLN 27 HE21 GLN 27 -4.085 3.857 1.144 199 2HE2 GLN 27 HE22 GLN 27 -4.090 5.125 -0.016 200 H THR 28 H THR 28 -5.954 1.742 4.207 201 HA THR 28 HA THR 28 -7.634 3.467 5.778 202 HB THR 28 HB THR 28 -8.293 1.315 6.642 203 HG1 THR 28 HG1 THR 28 -8.152 2.085 8.536 204 1HG2 THR 28 HG21 THR 28 -5.362 0.734 7.061 205 2HG2 THR 28 HG22 THR 28 -6.388 -0.028 5.845 206 3HG2 THR 28 HG23 THR 28 -6.688 -0.305 7.563 207 HA PRO 29 HA PRO 29 -3.487 5.140 6.403 208 1HB PRO 29 HB2 PRO 29 -4.198 7.201 8.012 209 2HB PRO 29 HB1 PRO 29 -4.445 7.206 6.255 210 1HG PRO 29 HG2 PRO 29 -6.408 6.572 8.430 211 2HG PRO 29 HG1 PRO 29 -6.623 7.599 7.000 212 1HD PRO 29 HD2 PRO 29 -7.533 5.055 7.076 213 2HD PRO 29 HD1 PRO 29 -6.891 5.774 5.578 214 H ASP 30 H ASP 30 -5.422 3.575 8.586 215 HA ASP 30 HA ASP 30 -3.606 3.951 10.829 216 1HB ASP 30 HB2 ASP 30 -6.176 2.384 10.576 217 2HB ASP 30 HB1 ASP 30 -5.246 2.562 12.057 218 H LEU 31 H LEU 31 -1.834 2.738 10.668 219 HA LEU 31 HA LEU 31 -1.382 0.565 9.076 220 1HB LEU 31 HB2 LEU 31 0.161 2.072 10.555 221 2HB LEU 31 HB1 LEU 31 -0.032 0.799 11.738 222 HG LEU 31 HG LEU 31 2.046 0.452 10.596 223 1HD1 LEU 31 HD11 LEU 31 1.774 -1.741 9.540 224 2HD1 LEU 31 HD12 LEU 31 0.025 -1.454 9.508 225 3HD1 LEU 31 HD13 LEU 31 0.858 -1.603 11.051 226 1HD2 LEU 31 HD21 LEU 31 1.586 1.797 8.659 227 2HD2 LEU 31 HD22 LEU 31 0.477 0.580 8.053 228 3HD2 LEU 31 HD23 LEU 31 2.208 0.214 8.172 229 H ASN 32 H ASN 32 -2.473 0.625 12.502 230 HA ASN 32 HA ASN 32 -2.334 -2.119 12.885 231 1HB ASN 32 HB2 ASN 32 -2.727 -0.186 14.610 232 2HB ASN 32 HB1 ASN 32 -4.425 -0.442 14.196 233 1HD2 ASN 32 HD21 ASN 32 -3.987 -3.397 13.809 234 2HD2 ASN 32 HD22 ASN 32 -3.830 -4.008 15.387 235 H MET 33 H MET 33 -4.925 -0.050 11.634 236 HA MET 33 HA MET 33 -6.848 -2.172 11.458 237 1HB MET 33 HB2 MET 33 -6.771 0.389 9.853 238 2HB MET 33 HB1 MET 33 -8.155 -0.673 10.047 239 1HG MET 33 HG2 MET 33 -6.809 0.878 12.205 240 2HG MET 33 HG1 MET 33 -8.310 1.345 11.402 241 1HE MET 33 HE1 MET 33 -7.987 1.187 14.542 242 2HE MET 33 HE2 MET 33 -9.487 0.379 14.995 243 3HE MET 33 HE3 MET 33 -9.498 1.617 13.739 244 H PHE 34 H PHE 34 -4.411 -0.817 9.407 245 HA PHE 34 HA PHE 34 -5.078 -2.126 7.023 246 1HB PHE 34 HB2 PHE 34 -3.516 -0.297 6.967 247 2HB PHE 34 HB1 PHE 34 -2.434 -1.095 8.077 248 HD1 PHE 34 HD1 PHE 34 -3.867 -1.341 4.654 249 HD2 PHE 34 HD2 PHE 34 -0.722 -2.476 7.286 250 HE1 PHE 34 HE1 PHE 34 -2.633 -2.297 2.756 251 HE2 PHE 34 HE2 PHE 34 0.523 -3.433 5.385 252 HZ PHE 34 HZ PHE 34 -0.435 -3.344 3.118 253 H THR 35 H THR 35 -2.707 -3.002 9.479 254 HA THR 35 HA THR 35 -2.210 -5.488 8.205 255 HB THR 35 HB THR 35 -0.399 -4.441 9.455 256 HG1 THR 35 HG1 THR 35 0.258 -6.395 9.698 257 1HG2 THR 35 HG21 THR 35 -0.405 -4.356 11.924 258 2HG2 THR 35 HG22 THR 35 -2.093 -4.892 11.912 259 3HG2 THR 35 HG23 THR 35 -1.645 -3.343 11.188 260 H PHE 36 H PHE 36 -4.421 -4.447 10.647 261 HA PHE 36 HA PHE 36 -5.093 -6.979 11.676 262 1HB PHE 36 HB2 PHE 36 -5.827 -5.177 12.983 263 2HB PHE 36 HB1 PHE 36 -6.546 -4.343 11.619 264 HD1 PHE 36 HD1 PHE 36 -8.824 -4.276 11.637 265 HD2 PHE 36 HD2 PHE 36 -6.885 -7.664 13.284 266 HE1 PHE 36 HE1 PHE 36 -11.024 -5.235 12.208 267 HE2 PHE 36 HE2 PHE 36 -9.075 -8.642 13.875 268 HZ PHE 36 HZ PHE 36 -11.145 -7.424 13.332 269 H HIS 37 H HIS 37 -6.630 -5.022 9.131 270 HA HIS 37 HA HIS 37 -8.474 -7.090 8.602 271 1HB HIS 37 HB2 HIS 37 -9.443 -5.727 6.939 272 2HB HIS 37 HB1 HIS 37 -8.692 -4.571 8.027 273 HD1 HIS 37 HD1 HIS 37 -6.952 -3.007 7.020 274 HD2 HIS 37 HD2 HIS 37 -8.140 -6.051 4.464 275 HE1 HIS 37 HE1 HIS 37 -6.031 -2.395 4.740 276 H VAL 38 H VAL 38 -5.289 -6.425 7.509 277 HA VAL 38 HA VAL 38 -5.274 -8.223 5.330 278 HB VAL 38 HB VAL 38 -3.056 -7.198 7.098 279 1HG1 VAL 38 HG11 VAL 38 -1.453 -8.149 5.445 280 2HG1 VAL 38 HG12 VAL 38 -2.804 -8.905 4.597 281 3HG1 VAL 38 HG13 VAL 38 -2.400 -9.409 6.239 282 1HG2 VAL 38 HG21 VAL 38 -3.775 -6.601 4.225 283 2HG2 VAL 38 HG22 VAL 38 -2.388 -5.935 5.085 284 3HG2 VAL 38 HG23 VAL 38 -4.024 -5.543 5.612 285 H ASP 39 H ASP 39 -4.171 -8.597 8.699 286 HA ASP 39 HA ASP 39 -3.522 -11.328 8.507 287 1HB ASP 39 HB2 ASP 39 -2.664 -9.915 10.296 288 2HB ASP 39 HB1 ASP 39 -4.287 -9.641 10.903 289 H SER 40 H SER 40 -6.443 -9.738 8.927 290 HA SER 40 HA SER 40 -7.910 -12.028 9.908 291 1HB SER 40 HB2 SER 40 -8.521 -9.751 10.636 292 2HB SER 40 HB1 SER 40 -8.915 -9.334 8.975 293 HG SER 40 HG SER 40 -10.640 -10.721 9.014 294 H GLU 41 H GLU 41 -7.754 -10.164 6.862 295 HA GLU 41 HA GLU 41 -9.722 -12.045 5.747 296 1HB GLU 41 HB2 GLU 41 -8.800 -9.436 4.558 297 2HB GLU 41 HB1 GLU 41 -10.157 -10.419 4.033 298 1HG GLU 41 HG2 GLU 41 -9.913 -8.935 6.638 299 2HG GLU 41 HG1 GLU 41 -10.943 -8.512 5.275 300 H HIS 42 H HIS 42 -6.474 -10.752 5.097 301 HA HIS 42 HA HIS 42 -6.094 -12.875 3.221 302 1HB HIS 42 HB2 HIS 42 -4.601 -10.885 2.138 303 2HB HIS 42 HB1 HIS 42 -6.160 -11.394 1.491 304 HD1 HIS 42 HD1 HIS 42 -8.184 -9.691 2.024 305 HD2 HIS 42 HD2 HIS 42 -4.418 -8.294 3.127 306 HE1 HIS 42 HE1 HIS 42 -8.464 -7.248 2.405 307 HA PRO 43 HA PRO 43 -2.710 -12.404 6.389 308 1HB PRO 43 HB2 PRO 43 -2.754 -14.973 7.331 309 2HB PRO 43 HB1 PRO 43 -3.781 -13.699 7.994 310 1HG PRO 43 HG2 PRO 43 -4.455 -15.816 5.980 311 2HG PRO 43 HG1 PRO 43 -5.401 -15.267 7.375 312 1HD PRO 43 HD2 PRO 43 -5.913 -14.428 4.846 313 2HD PRO 43 HD1 PRO 43 -6.170 -13.393 6.265 314 H ASN 44 H ASN 44 -3.614 -14.470 3.899 315 HA ASN 44 HA ASN 44 -0.954 -14.989 2.878 316 1HB ASN 44 HB2 ASN 44 -1.785 -17.012 4.247 317 2HB ASN 44 HB1 ASN 44 -3.130 -17.104 3.124 318 1HD2 ASN 44 HD21 ASN 44 -1.097 -19.021 3.739 319 2HD2 ASN 44 HD22 ASN 44 -0.284 -19.410 2.261 320 H VAL 45 H VAL 45 -1.234 -15.086 0.503 321 HA VAL 45 HA VAL 45 -3.802 -14.818 -0.609 322 HB VAL 45 HB VAL 45 -3.464 -12.646 0.589 323 1HG1 VAL 45 HG11 VAL 45 -1.985 -10.951 -0.298 324 2HG1 VAL 45 HG12 VAL 45 -1.241 -12.165 -1.344 325 3HG1 VAL 45 HG13 VAL 45 -1.144 -12.327 0.414 326 1HG2 VAL 45 HG21 VAL 45 -5.005 -12.730 -1.239 327 2HG2 VAL 45 HG22 VAL 45 -3.702 -12.397 -2.396 328 3HG2 VAL 45 HG23 VAL 45 -4.180 -11.170 -1.212 329 H VAL 46 H VAL 46 -3.448 -14.083 -3.012 330 HA VAL 46 HA VAL 46 -1.858 -15.879 -4.337 331 HB VAL 46 HB VAL 46 -2.859 -13.209 -5.367 332 1HG1 VAL 46 HG11 VAL 46 -1.132 -14.129 -6.833 333 2HG1 VAL 46 HG12 VAL 46 -2.720 -14.220 -7.597 334 3HG1 VAL 46 HG13 VAL 46 -1.997 -15.663 -6.886 335 1HG2 VAL 46 HG21 VAL 46 -4.624 -14.622 -4.480 336 2HG2 VAL 46 HG22 VAL 46 -4.078 -15.958 -5.494 337 3HG2 VAL 46 HG23 VAL 46 -4.731 -14.493 -6.235 338 H LEU 47 H LEU 47 0.171 -16.012 -4.974 339 HA LEU 47 HA LEU 47 2.070 -14.064 -4.069 340 1HB LEU 47 HB2 LEU 47 2.537 -16.528 -5.751 341 2HB LEU 47 HB1 LEU 47 3.744 -15.632 -4.858 342 HG LEU 47 HG LEU 47 1.512 -17.287 -3.671 343 1HD1 LEU 47 HD11 LEU 47 3.288 -18.764 -2.910 344 2HD1 LEU 47 HD12 LEU 47 4.469 -17.778 -3.772 345 3HD1 LEU 47 HD13 LEU 47 3.221 -18.649 -4.668 346 1HD2 LEU 47 HD21 LEU 47 2.604 -16.902 -1.512 347 2HD2 LEU 47 HD22 LEU 47 2.024 -15.399 -2.223 348 3HD2 LEU 47 HD23 LEU 47 3.743 -15.799 -2.287 349 H ASN 48 H ASN 48 1.672 -12.249 -5.276 350 HA ASN 48 HA ASN 48 2.117 -12.439 -8.187 351 1HB ASN 48 HB2 ASN 48 -0.239 -11.894 -7.469 352 2HB ASN 48 HB1 ASN 48 0.374 -10.439 -6.701 353 1HD2 ASN 48 HD21 ASN 48 -0.308 -12.032 -9.717 354 2HD2 ASN 48 HD22 ASN 48 -0.199 -10.649 -10.719 355 H SER 49 H SER 49 2.823 -10.016 -9.019 356 HA SER 49 HA SER 49 5.076 -9.289 -7.292 357 1HB SER 49 HB2 SER 49 4.687 -8.815 -10.250 358 2HB SER 49 HB1 SER 49 6.178 -8.611 -9.325 359 HG SER 49 HG SER 49 5.468 -11.005 -8.771 360 H SER 50 H SER 50 5.148 -7.176 -6.433 361 HA SER 50 HA SER 50 3.609 -5.045 -7.482 362 1HB SER 50 HB2 SER 50 2.930 -6.444 -4.910 363 2HB SER 50 HB1 SER 50 2.308 -4.870 -5.401 364 HG SER 50 HG SER 50 2.082 -6.619 -7.361 365 H TYR 51 H TYR 51 3.773 -3.210 -5.714 366 HA TYR 51 HA TYR 51 6.497 -3.230 -4.643 367 1HB TYR 51 HB2 TYR 51 4.888 -1.190 -6.055 368 2HB TYR 51 HB1 TYR 51 5.908 -0.634 -4.754 369 HD1 TYR 51 HD1 TYR 51 6.735 -3.404 -7.099 370 HD2 TYR 51 HD2 TYR 51 7.444 0.635 -5.972 371 HE1 TYR 51 HE1 TYR 51 8.647 -3.317 -8.637 372 HE2 TYR 51 HE2 TYR 51 9.369 0.725 -7.507 373 HH TYR 51 HH TYR 51 9.960 -1.789 -9.786 374 H VAL 52 H VAL 52 6.848 -2.576 -2.621 375 HA VAL 52 HA VAL 52 4.544 -1.759 -0.983 376 HB VAL 52 HB VAL 52 5.033 -4.171 -0.662 377 1HG1 VAL 52 HG11 VAL 52 7.331 -4.145 -1.235 378 2HG1 VAL 52 HG12 VAL 52 7.056 -4.897 0.327 379 3HG1 VAL 52 HG13 VAL 52 7.709 -3.254 0.243 380 1HG2 VAL 52 HG21 VAL 52 5.386 -4.229 1.753 381 2HG2 VAL 52 HG22 VAL 52 4.193 -3.035 1.258 382 3HG2 VAL 52 HG23 VAL 52 5.819 -2.516 1.714 383 H CYS 53 H CYS 53 5.002 -0.172 0.472 384 HA CYS 53 HA CYS 53 7.643 1.083 0.463 385 1HB CYS 53 HB2 CYS 53 5.744 2.507 0.566 386 2HB CYS 53 HB1 CYS 53 5.052 1.647 1.931 387 H VAL 54 H VAL 54 9.113 -0.180 1.476 388 HA VAL 54 HA VAL 54 8.632 -2.028 3.491 389 HB VAL 54 HB VAL 54 11.191 -0.744 3.809 390 1HG1 VAL 54 HG11 VAL 54 12.026 -2.894 3.326 391 2HG1 VAL 54 HG12 VAL 54 10.449 -3.327 2.679 392 3HG1 VAL 54 HG13 VAL 54 10.625 -3.029 4.432 393 1HG2 VAL 54 HG21 VAL 54 10.307 -1.402 1.049 394 2HG2 VAL 54 HG22 VAL 54 12.000 -1.478 1.538 395 3HG2 VAL 54 HG23 VAL 54 11.104 0.035 1.658 396 H GLU 55 H GLU 55 9.031 1.373 3.617 397 HA GLU 55 HA GLU 55 9.815 1.642 6.266 398 1HB GLU 55 HB2 GLU 55 8.159 3.599 4.706 399 2HB GLU 55 HB1 GLU 55 9.273 3.973 6.019 400 1HG GLU 55 HG2 GLU 55 10.026 2.911 3.298 401 2HG GLU 55 HG1 GLU 55 10.174 4.578 3.828 402 H CYS 56 H CYS 56 6.792 1.440 4.642 403 HA CYS 56 HA CYS 56 5.249 1.723 7.191 404 1HB CYS 56 HB2 CYS 56 4.166 1.605 4.399 405 2HB CYS 56 HB1 CYS 56 3.331 2.194 5.842 406 H ASN 57 H ASN 57 6.383 -0.538 5.031 407 HA ASN 57 HA ASN 57 5.905 -2.564 4.279 408 1HB ASN 57 HB2 ASN 57 5.061 -2.635 7.098 409 2HB ASN 57 HB1 ASN 57 4.929 -4.131 6.125 410 1HD2 ASN 57 HD21 ASN 57 7.452 -3.483 4.652 411 2HD2 ASN 57 HD22 ASN 57 8.659 -3.787 5.838 412 H PHE 58 H PHE 58 4.309 -1.179 2.962 413 HA PHE 58 HA PHE 58 1.679 -2.409 3.249 414 1HB PHE 58 HB2 PHE 58 0.508 -0.473 3.448 415 2HB PHE 58 HB1 PHE 58 2.028 0.225 3.957 416 HD1 PHE 58 HD1 PHE 58 -0.391 -0.058 1.251 417 HD2 PHE 58 HD2 PHE 58 3.202 1.800 2.500 418 HE1 PHE 58 HE1 PHE 58 -0.617 1.608 -0.572 419 HE2 PHE 58 HE2 PHE 58 2.973 3.473 0.633 420 HZ PHE 58 HZ PHE 58 1.077 3.347 -0.863 421 H LEU 59 H LEU 59 0.997 -3.282 1.472 422 HA LEU 59 HA LEU 59 2.555 -2.952 -0.960 423 1HB LEU 59 HB2 LEU 59 0.918 -5.092 0.213 424 2HB LEU 59 HB1 LEU 59 0.846 -4.962 -1.529 425 HG LEU 59 HG LEU 59 3.436 -5.210 -0.048 426 1HD1 LEU 59 HD11 LEU 59 3.282 -7.565 -0.596 427 2HD1 LEU 59 HD12 LEU 59 1.747 -7.277 -1.415 428 3HD1 LEU 59 HD13 LEU 59 1.854 -7.106 0.341 429 1HD2 LEU 59 HD21 LEU 59 2.571 -5.603 -2.921 430 2HD2 LEU 59 HD22 LEU 59 4.168 -5.940 -2.296 431 3HD2 LEU 59 HD23 LEU 59 3.568 -4.286 -2.313 432 H THR 60 H THR 60 1.636 -2.045 -2.747 433 HA THR 60 HA THR 60 -1.206 -1.363 -2.553 434 HB THR 60 HB THR 60 -0.243 0.679 -2.134 435 HG1 THR 60 HG1 THR 60 -1.651 1.025 -3.939 436 1HG2 THR 60 HG21 THR 60 1.868 0.183 -4.222 437 2HG2 THR 60 HG22 THR 60 2.055 -0.011 -2.481 438 3HG2 THR 60 HG23 THR 60 1.776 1.581 -3.144 439 H LYS 61 H LYS 61 -2.248 -0.854 -4.571 440 HA LYS 61 HA LYS 61 -1.975 -3.018 -6.400 441 1HB LYS 61 HB2 LYS 61 -3.648 -0.512 -6.591 442 2HB LYS 61 HB1 LYS 61 -3.878 -1.993 -7.505 443 1HG LYS 61 HG2 LYS 61 -4.536 -3.183 -5.539 444 2HG LYS 61 HG1 LYS 61 -4.080 -1.827 -4.507 445 1HD LYS 61 HD2 LYS 61 -6.489 -1.892 -4.759 446 2HD LYS 61 HD1 LYS 61 -5.848 -0.466 -5.567 447 1HE LYS 61 HE2 LYS 61 -5.976 -1.643 -7.712 448 2HE LYS 61 HE1 LYS 61 -6.629 -3.056 -6.888 449 1HZ LYS 61 HZ1 LYS 61 -8.524 -1.654 -6.183 450 2HZ LYS 61 HZ2 LYS 61 -8.397 -1.824 -7.843 451 3HZ LYS 61 HZ3 LYS 61 -7.909 -0.384 -7.126 452 H ARG 62 H ARG 62 -0.600 0.075 -6.200 453 HA ARG 62 HA ARG 62 0.020 0.136 -9.073 454 1HB ARG 62 HB2 ARG 62 -0.394 2.575 -8.996 455 2HB ARG 62 HB1 ARG 62 -1.834 1.590 -8.764 456 1HG ARG 62 HG2 ARG 62 -1.647 1.950 -6.319 457 2HG ARG 62 HG1 ARG 62 -0.277 3.020 -6.612 458 1HD ARG 62 HD2 ARG 62 -2.341 4.282 -6.313 459 2HD ARG 62 HD1 ARG 62 -1.698 4.500 -7.925 460 HE ARG 62 HE ARG 62 -4.014 2.836 -7.195 461 1HH1 ARG 62 HH11 ARG 62 -2.090 4.406 -9.789 462 2HH1 ARG 62 HH12 ARG 62 -3.363 4.333 -10.907 463 1HH2 ARG 62 HH21 ARG 62 -5.691 2.727 -8.773 464 2HH2 ARG 62 HH22 ARG 62 -5.456 3.330 -10.352 465 H TYR 63 H TYR 63 1.824 1.628 -9.570 466 HA TYR 63 HA TYR 63 3.915 1.446 -7.591 467 1HB TYR 63 HB2 TYR 63 3.947 2.671 -10.360 468 2HB TYR 63 HB1 TYR 63 5.352 2.469 -9.336 469 HD1 TYR 63 HD1 TYR 63 3.630 1.139 -12.043 470 HD2 TYR 63 HD2 TYR 63 5.676 -0.077 -8.522 471 HE1 TYR 63 HE1 TYR 63 4.048 -1.063 -13.053 472 HE2 TYR 63 HE2 TYR 63 6.094 -2.280 -9.521 473 HH TYR 63 HH TYR 63 5.125 -3.721 -11.265 474 H ASP 64 H ASP 64 1.623 3.685 -8.698 475 HA ASP 64 HA ASP 64 2.841 6.199 -8.352 476 1HB ASP 64 HB2 ASP 64 -0.031 5.693 -7.556 477 2HB ASP 64 HB1 ASP 64 0.670 7.189 -8.119 478 H ALA 65 H ALA 65 1.155 4.232 -6.068 479 HA ALA 65 HA ALA 65 1.052 6.107 -4.038 480 1HB ALA 65 HB1 ALA 65 0.479 4.215 -2.614 481 2HB ALA 65 HB2 ALA 65 0.993 3.119 -3.918 482 3HB ALA 65 HB3 ALA 65 -0.371 4.193 -4.162 483 H LEU 66 H LEU 66 3.638 4.024 -5.027 484 HA LEU 66 HA LEU 66 5.122 4.430 -2.577 485 1HB LEU 66 HB2 LEU 66 6.088 3.378 -5.186 486 2HB LEU 66 HB1 LEU 66 6.965 3.289 -3.668 487 HG LEU 66 HG LEU 66 6.193 1.163 -3.943 488 1HD1 LEU 66 HD11 LEU 66 4.037 2.473 -2.329 489 2HD1 LEU 66 HD12 LEU 66 5.612 1.947 -1.728 490 3HD1 LEU 66 HD13 LEU 66 4.435 0.757 -2.301 491 1HD2 LEU 66 HD21 LEU 66 3.583 2.287 -4.914 492 2HD2 LEU 66 HD22 LEU 66 3.942 0.567 -4.726 493 3HD2 LEU 66 HD23 LEU 66 4.856 1.550 -5.874 494 H SER 67 H SER 67 4.964 5.726 -5.808 495 HA SER 67 HA SER 67 7.456 7.164 -5.810 496 1HB SER 67 HB2 SER 67 4.929 7.090 -7.307 497 2HB SER 67 HB1 SER 67 6.154 8.279 -7.761 498 HG SER 67 HG SER 67 6.555 5.432 -7.551 499 H GLU 68 H GLU 68 4.114 8.003 -5.397 500 HA GLU 68 HA GLU 68 4.714 10.698 -4.709 501 1HB GLU 68 HB2 GLU 68 2.037 9.596 -4.047 502 2HB GLU 68 HB1 GLU 68 2.519 11.118 -4.747 503 1HG GLU 68 HG2 GLU 68 3.200 9.741 -6.819 504 2HG GLU 68 HG1 GLU 68 2.263 8.510 -6.078 505 H HIS 69 H HIS 69 4.583 7.794 -3.113 506 HA HIS 69 HA HIS 69 3.585 8.227 -0.612 507 1HB HIS 69 HB2 HIS 69 4.694 6.153 -1.551 508 2HB HIS 69 HB1 HIS 69 6.206 6.854 -0.938 509 HD1 HIS 69 HD1 HIS 69 2.860 5.615 0.259 510 HD2 HIS 69 HD2 HIS 69 6.641 6.507 1.610 511 HE1 HIS 69 HE1 HIS 69 2.905 4.836 2.662 512 H ASN 70 H ASN 70 7.045 8.784 -1.397 513 HA ASN 70 HA ASN 70 7.592 10.227 1.008 514 1HB ASN 70 HB2 ASN 70 9.738 10.810 -0.130 515 2HB ASN 70 HB1 ASN 70 9.418 9.090 -0.014 516 1HD2 ASN 70 HD21 ASN 70 11.182 10.149 -1.700 517 2HD2 ASN 70 HD22 ASN 70 10.622 9.861 -3.355 518 H LEU 71 H LEU 71 6.061 11.143 -1.729 519 HA LEU 71 HA LEU 71 6.676 13.952 -1.556 520 1HB LEU 71 HB2 LEU 71 6.203 13.308 -3.728 521 2HB LEU 71 HB1 LEU 71 4.963 12.181 -3.247 522 HG LEU 71 HG LEU 71 3.439 13.996 -2.864 523 1HD1 LEU 71 HD11 LEU 71 5.668 15.754 -3.980 524 2HD1 LEU 71 HD12 LEU 71 5.043 15.812 -2.330 525 3HD1 LEU 71 HD13 LEU 71 4.017 16.297 -3.680 526 1HD2 LEU 71 HD21 LEU 71 4.715 14.026 -5.585 527 2HD2 LEU 71 HD22 LEU 71 3.097 14.613 -5.210 528 3HD2 LEU 71 HD23 LEU 71 3.485 12.907 -5.008 529 H LYS 72 H LYS 72 3.910 11.880 -0.824 530 HA LYS 72 HA LYS 72 2.713 14.118 0.650 531 1HB LYS 72 HB2 LYS 72 0.667 12.291 0.343 532 2HB LYS 72 HB1 LYS 72 0.880 13.761 -0.595 533 1HG LYS 72 HG2 LYS 72 2.309 12.280 -2.117 534 2HG LYS 72 HG1 LYS 72 1.620 10.948 -1.229 535 1HD LYS 72 HD2 LYS 72 -0.009 13.012 -2.687 536 2HD LYS 72 HD1 LYS 72 0.446 11.429 -3.322 537 1HE LYS 72 HE2 LYS 72 -1.728 10.997 -2.512 538 2HE LYS 72 HE1 LYS 72 -0.665 10.555 -1.176 539 1HZ LYS 72 HZ1 LYS 72 -2.556 11.712 -0.461 540 2HZ LYS 72 HZ2 LYS 72 -2.160 13.077 -1.343 541 3HZ LYS 72 HZ3 LYS 72 -1.176 12.574 -0.051 542 H TYR 73 H TYR 73 3.455 10.828 0.922 543 HA TYR 73 HA TYR 73 2.244 10.511 3.545 544 1HB TYR 73 HB2 TYR 73 3.859 8.641 1.841 545 2HB TYR 73 HB1 TYR 73 3.115 8.164 3.373 546 HD1 TYR 73 HD1 TYR 73 2.230 9.683 0.045 547 HD2 TYR 73 HD2 TYR 73 1.030 7.128 3.235 548 HE1 TYR 73 HE1 TYR 73 0.294 9.063 -1.198 549 HE2 TYR 73 HE2 TYR 73 -0.998 6.535 1.951 550 HH TYR 73 HH TYR 73 -2.342 7.750 0.190 551 H HIS 74 H HIS 74 5.566 10.094 2.192 552 HA HIS 74 HA HIS 74 6.667 10.806 4.875 553 1HB HIS 74 HB2 HIS 74 7.910 9.112 2.688 554 2HB HIS 74 HB1 HIS 74 8.777 9.596 4.133 555 HD1 HIS 74 HD1 HIS 74 6.445 8.714 6.182 556 HD2 HIS 74 HD2 HIS 74 7.961 6.506 3.019 557 HE1 HIS 74 HE1 HIS 74 5.878 6.318 6.681 558 HA PRO 75 HA PRO 75 7.818 14.058 1.723 559 1HB PRO 75 HB2 PRO 75 7.112 16.203 3.091 560 2HB PRO 75 HB1 PRO 75 5.909 15.233 2.214 561 1HG PRO 75 HG2 PRO 75 6.603 15.136 5.148 562 2HG PRO 75 HG1 PRO 75 4.991 15.198 4.401 563 1HD PRO 75 HD2 PRO 75 6.101 12.871 5.228 564 2HD PRO 75 HD1 PRO 75 5.061 12.991 3.796 565 H GLY 76 H GLY 76 9.552 15.297 1.571 566 1HA GLY 76 HA2 GLY 76 10.960 16.736 3.312 567 2HA GLY 76 HA1 GLY 76 11.536 15.109 3.659 568 H GLU 77 H GLU 77 11.656 13.927 1.357 569 HA GLU 77 HA GLU 77 13.114 15.479 -0.599 570 1HB GLU 77 HB2 GLU 77 15.133 14.061 -0.432 571 2HB GLU 77 HB1 GLU 77 14.891 15.020 1.016 572 1HG GLU 77 HG2 GLU 77 15.091 13.162 2.204 573 2HG GLU 77 HG1 GLU 77 13.600 12.575 1.460 574 H GLU 78 H GLU 78 13.911 13.776 -2.343 575 HA GLU 78 HA GLU 78 11.781 11.758 -2.435 576 1HB GLU 78 HB2 GLU 78 11.183 13.830 -3.719 577 2HB GLU 78 HB1 GLU 78 12.595 13.488 -4.714 578 1HG GLU 78 HG2 GLU 78 11.654 11.490 -5.523 579 2HG GLU 78 HG1 GLU 78 10.303 11.576 -4.390 580 H ASN 79 H ASN 79 13.289 10.156 -1.978 581 HA ASN 79 HA ASN 79 14.894 9.264 -4.231 582 1HB ASN 79 HB2 ASN 79 16.012 9.802 -1.491 583 2HB ASN 79 HB1 ASN 79 16.916 8.957 -2.762 584 1HD2 ASN 79 HD21 ASN 79 15.708 11.909 -1.562 585 2HD2 ASN 79 HD22 ASN 79 16.454 13.020 -2.659 586 H PHE 80 H PHE 80 13.591 7.488 -4.309 587 HA PHE 80 HA PHE 80 13.484 5.760 -1.946 588 1HB PHE 80 HB2 PHE 80 11.616 6.347 -4.103 589 2HB PHE 80 HB1 PHE 80 11.867 4.627 -3.882 590 HD1 PHE 80 HD1 PHE 80 10.069 7.479 -2.797 591 HD2 PHE 80 HD2 PHE 80 11.581 3.754 -1.461 592 HE1 PHE 80 HE1 PHE 80 8.362 7.418 -0.993 593 HE2 PHE 80 HE2 PHE 80 9.876 3.679 0.289 594 HZ PHE 80 HZ PHE 80 8.261 5.511 0.519 595 H LYS 81 H LYS 81 14.124 3.632 -2.107 596 HA LYS 81 HA LYS 81 15.791 2.944 -4.439 597 1HB LYS 81 HB2 LYS 81 17.391 2.116 -2.976 598 2HB LYS 81 HB1 LYS 81 16.594 3.271 -1.901 599 1HG LYS 81 HG2 LYS 81 15.256 1.577 -0.921 600 2HG LYS 81 HG1 LYS 81 15.836 0.386 -2.071 601 1HD LYS 81 HD2 LYS 81 18.156 0.941 -1.129 602 2HD LYS 81 HD1 LYS 81 17.241 1.653 0.210 603 1HE LYS 81 HE2 LYS 81 15.998 -0.458 0.447 604 2HE LYS 81 HE1 LYS 81 16.999 -1.153 -0.817 605 1HZ LYS 81 HZ1 LYS 81 18.016 -0.109 1.775 606 2HZ LYS 81 HZ2 LYS 81 18.945 -0.918 0.608 607 3HZ LYS 81 HZ3 LYS 81 17.734 -1.719 1.445 608 H LEU 82 H LEU 82 15.877 0.457 -4.718 609 HA LEU 82 HA LEU 82 13.317 -0.679 -3.950 610 1HB LEU 82 HB2 LEU 82 13.219 -1.912 -6.097 611 2HB LEU 82 HB1 LEU 82 13.077 -0.184 -6.293 612 HG LEU 82 HG LEU 82 15.692 -1.607 -6.755 613 1HD1 LEU 82 HD11 LEU 82 13.474 -1.062 -8.750 614 2HD1 LEU 82 HD12 LEU 82 13.974 -2.655 -8.179 615 3HD1 LEU 82 HD13 LEU 82 15.078 -1.679 -9.147 616 1HD2 LEU 82 HD21 LEU 82 14.545 0.974 -7.835 617 2HD2 LEU 82 HD22 LEU 82 16.141 0.321 -8.204 618 3HD2 LEU 82 HD23 LEU 82 15.757 0.841 -6.563 619 H THR 83 H THR 83 13.328 -2.689 -3.179 620 HA THR 83 HA THR 83 15.669 -4.315 -3.492 621 HB THR 83 HB THR 83 16.240 -3.123 -1.491 622 HG1 THR 83 HG1 THR 83 15.226 -5.399 -0.274 623 1HG2 THR 83 HG21 THR 83 13.998 -2.254 -0.900 624 2HG2 THR 83 HG22 THR 83 14.843 -2.935 0.492 625 3HG2 THR 83 HG23 THR 83 13.571 -3.859 -0.301 626 H MET 84 H MET 84 14.704 -6.371 -4.135 627 HA MET 84 HA MET 84 11.979 -6.658 -3.107 628 1HB MET 84 HB2 MET 84 12.087 -8.738 -4.720 629 2HB MET 84 HB1 MET 84 11.510 -7.174 -5.285 630 1HG MET 84 HG2 MET 84 12.930 -7.896 -6.958 631 2HG MET 84 HG1 MET 84 13.935 -6.825 -5.999 632 1HE MET 84 HE1 MET 84 16.460 -9.522 -7.320 633 2HE MET 84 HE2 MET 84 16.112 -7.798 -7.191 634 3HE MET 84 HE3 MET 84 15.070 -8.835 -8.162 635 H VAL 85 H VAL 85 11.858 -7.444 -1.392 636 HA VAL 85 HA VAL 85 12.670 -10.127 -0.916 637 HB VAL 85 HB VAL 85 13.477 -9.326 1.484 638 1HG1 VAL 85 HG11 VAL 85 14.927 -10.471 -0.088 639 2HG1 VAL 85 HG12 VAL 85 15.820 -9.086 0.577 640 3HG1 VAL 85 HG13 VAL 85 15.071 -9.000 -1.033 641 1HG2 VAL 85 HG21 VAL 85 14.048 -6.880 -0.206 642 2HG2 VAL 85 HG22 VAL 85 14.647 -7.149 1.432 643 3HG2 VAL 85 HG23 VAL 85 12.914 -6.939 1.143 644 H LYS 86 H LYS 86 10.576 -10.941 -0.369 645 HA LYS 86 HA LYS 86 9.386 -9.396 1.768 646 1HB LYS 86 HB2 LYS 86 8.267 -8.814 -0.461 647 2HB LYS 86 HB1 LYS 86 7.561 -10.439 -0.351 648 1HG LYS 86 HG2 LYS 86 5.979 -8.897 0.421 649 2HG LYS 86 HG1 LYS 86 6.565 -9.884 1.752 650 1HD LYS 86 HD2 LYS 86 7.836 -8.195 2.702 651 2HD LYS 86 HD1 LYS 86 7.898 -7.264 1.216 652 1HE LYS 86 HE2 LYS 86 5.673 -6.423 1.553 653 2HE LYS 86 HE1 LYS 86 5.338 -7.616 2.804 654 1HZ LYS 86 HZ1 LYS 86 5.839 -5.447 3.677 655 2HZ LYS 86 HZ2 LYS 86 7.422 -5.529 2.957 656 3HZ LYS 86 HZ3 LYS 86 6.976 -6.590 4.166 657 H ARG 87 H ARG 87 9.051 -10.553 3.382 658 HA ARG 87 HA ARG 87 8.978 -13.414 2.943 659 1HB ARG 87 HB2 ARG 87 10.224 -11.890 5.251 660 2HB ARG 87 HB1 ARG 87 10.218 -13.640 5.058 661 1HG ARG 87 HG2 ARG 87 12.385 -13.033 4.333 662 2HG ARG 87 HG1 ARG 87 11.458 -13.188 2.841 663 1HD ARG 87 HD2 ARG 87 12.837 -11.211 2.705 664 2HD ARG 87 HD1 ARG 87 11.143 -10.753 2.772 665 HE ARG 87 HE ARG 87 12.573 -10.743 5.294 666 1HH1 ARG 87 HH11 ARG 87 11.289 -8.703 2.623 667 2HH1 ARG 87 HH12 ARG 87 11.612 -7.261 3.359 668 1HH2 ARG 87 HH21 ARG 87 13.054 -8.694 6.311 669 2HH2 ARG 87 HH22 ARG 87 12.677 -7.236 5.509 670 H ASN 88 H ASN 88 7.734 -14.607 4.483 671 HA ASN 88 HA ASN 88 5.809 -15.107 5.589 672 1HB ASN 88 HB2 ASN 88 6.070 -12.271 6.656 673 2HB ASN 88 HB1 ASN 88 4.746 -13.333 7.114 674 1HD2 ASN 88 HD21 ASN 88 5.385 -13.241 9.279 675 2HD2 ASN 88 HD22 ASN 88 6.750 -14.121 9.849 676 H ASN 89 H ASN 89 5.979 -13.649 2.969 677 HA ASN 89 HA ASN 89 3.127 -13.303 2.470 678 1HB ASN 89 HB2 ASN 89 5.135 -11.097 1.877 679 2HB ASN 89 HB1 ASN 89 3.465 -11.098 1.371 680 1HD2 ASN 89 HD21 ASN 89 5.672 -10.539 3.961 681 2HD2 ASN 89 HD22 ASN 89 4.549 -9.823 5.045 682 H GLN 90 H GLN 90 3.782 -11.943 -0.077 683 HA GLN 90 HA GLN 90 4.929 -14.174 -1.539 684 1HB GLN 90 HB2 GLN 90 4.008 -13.109 -3.487 685 2HB GLN 90 HB1 GLN 90 2.729 -13.266 -2.262 686 1HG GLN 90 HG2 GLN 90 4.261 -10.781 -2.779 687 2HG GLN 90 HG1 GLN 90 2.778 -11.161 -3.661 688 1HE2 GLN 90 HE21 GLN 90 4.192 -10.095 -0.725 689 2HE2 GLN 90 HE22 GLN 90 2.680 -9.716 0.061 690 H THR 91 H THR 91 6.392 -13.345 -3.413 691 HA THR 91 HA THR 91 8.112 -11.417 -2.155 692 HB THR 91 HB THR 91 9.724 -12.187 -4.068 693 HG1 THR 91 HG1 THR 91 8.339 -14.613 -3.897 694 1HG2 THR 91 HG21 THR 91 10.523 -14.030 -2.618 695 2HG2 THR 91 HG22 THR 91 8.987 -14.026 -1.764 696 3HG2 THR 91 HG23 THR 91 10.053 -12.649 -1.636 697 H ILE 92 H ILE 92 7.981 -9.580 -2.586 698 HA ILE 92 HA ILE 92 7.252 -8.479 -5.122 699 HB ILE 92 HB ILE 92 5.836 -6.789 -3.801 700 1HG1 ILE 92 HG12 ILE 92 4.705 -8.062 -1.817 701 2HG1 ILE 92 HG11 ILE 92 6.224 -8.902 -1.800 702 1HG2 ILE 92 HG21 ILE 92 3.830 -8.215 -3.821 703 2HG2 ILE 92 HG22 ILE 92 4.882 -9.604 -4.161 704 3HG2 ILE 92 HG23 ILE 92 4.768 -8.285 -5.302 705 1HD1 ILE 92 HD11 ILE 92 7.494 -6.932 -1.521 706 2HD1 ILE 92 HD12 ILE 92 6.243 -6.968 -0.287 707 3HD1 ILE 92 HD13 ILE 92 6.079 -5.914 -1.689 708 H PHE 93 H PHE 93 7.775 -6.101 -5.179 709 HA PHE 93 HA PHE 93 10.527 -5.923 -4.217 710 1HB PHE 93 HB2 PHE 93 8.910 -4.119 -6.003 711 2HB PHE 93 HB1 PHE 93 10.621 -3.971 -5.707 712 HD1 PHE 93 HD1 PHE 93 12.116 -5.132 -6.982 713 HD2 PHE 93 HD2 PHE 93 8.012 -6.060 -7.258 714 HE1 PHE 93 HE1 PHE 93 12.566 -6.467 -9.034 715 HE2 PHE 93 HE2 PHE 93 8.417 -7.407 -9.281 716 HZ PHE 93 HZ PHE 93 10.703 -7.609 -10.174 717 H GLU 94 H GLU 94 11.014 -4.737 -2.525 718 HA GLU 94 HA GLU 94 9.006 -3.022 -1.360 719 1HB GLU 94 HB2 GLU 94 11.653 -3.957 -0.202 720 2HB GLU 94 HB1 GLU 94 10.356 -3.151 0.654 721 1HG GLU 94 HG2 GLU 94 8.995 -5.201 -0.137 722 2HG GLU 94 HG1 GLU 94 10.587 -5.975 -0.178 723 H GLN 95 H GLN 95 9.381 -0.908 -1.050 724 HA GLN 95 HA GLN 95 11.752 0.160 -2.402 725 1HB GLN 95 HB2 GLN 95 9.420 0.401 -3.540 726 2HB GLN 95 HB1 GLN 95 9.083 1.573 -2.272 727 1HG GLN 95 HG2 GLN 95 10.912 2.940 -2.974 728 2HG GLN 95 HG1 GLN 95 11.432 1.716 -4.122 729 1HE2 GLN 95 HE21 GLN 95 9.157 4.260 -3.431 730 2HE2 GLN 95 HE22 GLN 95 8.548 4.385 -5.034 731 H THR 96 H THR 96 13.065 1.056 -0.922 732 HA THR 96 HA THR 96 11.913 2.144 1.568 733 HB THR 96 HB THR 96 14.764 1.663 1.658 734 HG1 THR 96 HG1 THR 96 14.168 -0.766 1.725 735 1HG2 THR 96 HG21 THR 96 12.353 0.633 3.169 736 2HG2 THR 96 HG22 THR 96 13.460 1.878 3.677 737 3HG2 THR 96 HG23 THR 96 13.996 0.196 3.592 738 H ILE 97 H ILE 97 13.103 3.989 2.509 739 HA ILE 97 HA ILE 97 14.189 5.742 0.398 740 HB ILE 97 HB ILE 97 13.209 6.606 3.131 741 1HG1 ILE 97 HG12 ILE 97 11.534 6.630 0.659 742 2HG1 ILE 97 HG11 ILE 97 11.545 5.199 1.673 743 1HG2 ILE 97 HG21 ILE 97 14.564 8.109 1.595 744 2HG2 ILE 97 HG22 ILE 97 12.983 8.706 2.028 745 3HG2 ILE 97 HG23 ILE 97 13.243 7.989 0.425 746 1HD1 ILE 97 HD11 ILE 97 9.701 6.362 2.276 747 2HD1 ILE 97 HD12 ILE 97 10.462 7.925 2.208 748 3HD1 ILE 97 HD13 ILE 97 10.839 6.791 3.545 749 H ASN 98 H ASN 98 15.976 7.009 0.958 750 HA ASN 98 HA ASN 98 17.810 5.645 2.743 751 1HB ASN 98 HB2 ASN 98 19.470 7.222 1.601 752 2HB ASN 98 HB1 ASN 98 18.764 5.957 0.592 753 1HD2 ASN 98 HD21 ASN 98 17.094 8.982 1.520 754 2HD2 ASN 98 HD22 ASN 98 17.080 9.627 -0.053 755 H ASP 99 H ASP 99 15.576 7.783 3.346 756 HA ASP 99 HA ASP 99 17.205 9.332 5.201 757 1HB ASP 99 HB2 ASP 99 17.201 10.411 2.903 758 2HB ASP 99 HB1 ASP 99 15.530 10.794 3.220 759 H LEU 100 H LEU 100 14.049 9.273 3.610 760 HA LEU 100 HA LEU 100 12.552 10.215 5.901 761 1HB LEU 100 HB2 LEU 100 11.490 9.001 3.342 762 2HB LEU 100 HB1 LEU 100 10.725 10.113 4.437 763 HG LEU 100 HG LEU 100 13.180 11.110 3.146 764 1HD1 LEU 100 HD11 LEU 100 10.628 10.455 1.707 765 2HD1 LEU 100 HD12 LEU 100 12.305 10.182 1.162 766 3HD1 LEU 100 HD13 LEU 100 11.644 11.792 1.216 767 1HD2 LEU 100 HD21 LEU 100 10.446 12.244 3.583 768 2HD2 LEU 100 HD22 LEU 100 11.876 13.102 3.047 769 3HD2 LEU 100 HD23 LEU 100 11.811 12.436 4.695 770 H THR 101 H THR 101 14.045 7.581 5.774 771 HA THR 101 HA THR 101 12.596 5.290 5.666 772 HB THR 101 HB THR 101 14.803 5.922 7.602 773 HG1 THR 101 HG1 THR 101 15.139 5.194 4.887 774 1HG2 THR 101 HG21 THR 101 13.899 3.620 7.685 775 2HG2 THR 101 HG22 THR 101 15.536 3.630 7.030 776 3HG2 THR 101 HG23 THR 101 14.156 3.457 5.948 777 H PHE 102 H PHE 102 12.695 7.654 8.283 778 HA PHE 102 HA PHE 102 11.046 5.827 9.907 779 1HB PHE 102 HB2 PHE 102 12.998 7.892 10.938 780 2HB PHE 102 HB1 PHE 102 11.980 6.855 11.931 781 HD1 PHE 102 HD1 PHE 102 15.136 7.210 10.365 782 HD2 PHE 102 HD2 PHE 102 12.298 4.303 11.627 783 HE1 PHE 102 HE1 PHE 102 16.891 5.493 10.343 784 HE2 PHE 102 HE2 PHE 102 14.051 2.579 11.609 785 HZ PHE 102 HZ PHE 102 16.354 3.174 10.966 Start of MODEL 12 1 HA MET 1 HA MET 1 -12.982 -15.786 -18.957 2 1HB MET 1 HB2 MET 1 -13.644 -13.252 -18.411 3 2HB MET 1 HB1 MET 1 -14.891 -14.010 -17.439 4 1HG MET 1 HG2 MET 1 -11.907 -14.336 -17.099 5 2HG MET 1 HG1 MET 1 -12.965 -13.356 -16.111 6 1HE MET 1 HE1 MET 1 -11.958 -14.459 -13.938 7 2HE MET 1 HE2 MET 1 -10.885 -15.434 -14.938 8 3HE MET 1 HE3 MET 1 -11.857 -16.200 -13.680 9 H ALA 2 H ALA 2 -13.516 -17.549 -17.686 10 HA ALA 2 HA ALA 2 -15.942 -18.867 -18.188 11 1HB ALA 2 HB1 ALA 2 -13.853 -20.034 -17.694 12 2HB ALA 2 HB2 ALA 2 -15.154 -20.548 -16.616 13 3HB ALA 2 HB3 ALA 2 -13.914 -19.438 -16.036 14 H HIS 3 H HIS 3 -14.888 -16.894 -15.528 15 HA HIS 3 HA HIS 3 -17.300 -17.470 -13.995 16 1HB HIS 3 HB2 HIS 3 -14.906 -15.719 -13.369 17 2HB HIS 3 HB1 HIS 3 -16.279 -15.933 -12.302 18 HD1 HIS 3 HD1 HIS 3 -16.116 -17.877 -10.670 19 HD2 HIS 3 HD2 HIS 3 -13.332 -18.103 -13.747 20 HE1 HIS 3 HE1 HIS 3 -14.581 -19.768 -10.083 21 H HIS 4 H HIS 4 -18.648 -15.716 -13.325 22 HA HIS 4 HA HIS 4 -19.036 -13.731 -15.392 23 1HB HIS 4 HB2 HIS 4 -20.984 -14.861 -14.353 24 2HB HIS 4 HB1 HIS 4 -20.513 -14.227 -12.783 25 HD1 HIS 4 HD1 HIS 4 -21.743 -12.105 -12.124 26 HD2 HIS 4 HD2 HIS 4 -21.613 -12.690 -16.237 27 HE1 HIS 4 HE1 HIS 4 -23.101 -10.254 -13.130 28 H HIS 5 H HIS 5 -17.829 -14.014 -12.168 29 HA HIS 5 HA HIS 5 -17.448 -11.131 -11.949 30 1HB HIS 5 HB2 HIS 5 -17.209 -13.271 -9.818 31 2HB HIS 5 HB1 HIS 5 -17.102 -11.530 -9.560 32 HD1 HIS 5 HD1 HIS 5 -19.449 -14.166 -9.156 33 HD2 HIS 5 HD2 HIS 5 -19.675 -10.278 -10.609 34 HE1 HIS 5 HE1 HIS 5 -21.875 -13.541 -9.093 35 H HIS 6 H HIS 6 -15.430 -10.343 -11.336 36 HA HIS 6 HA HIS 6 -13.260 -11.938 -12.453 37 1HB HIS 6 HB2 HIS 6 -13.326 -8.986 -11.762 38 2HB HIS 6 HB1 HIS 6 -12.048 -9.815 -12.632 39 HD1 HIS 6 HD1 HIS 6 -14.402 -7.482 -13.425 40 HD2 HIS 6 HD2 HIS 6 -13.630 -11.255 -14.991 41 HE1 HIS 6 HE1 HIS 6 -15.414 -7.503 -15.739 42 H HIS 7 H HIS 7 -11.229 -11.910 -11.342 43 HA HIS 7 HA HIS 7 -11.601 -12.070 -8.461 44 1HB HIS 7 HB2 HIS 7 -9.359 -13.043 -10.259 45 2HB HIS 7 HB1 HIS 7 -9.357 -13.210 -8.507 46 HD1 HIS 7 HD1 HIS 7 -10.461 -15.308 -7.605 47 HD2 HIS 7 HD2 HIS 7 -11.515 -14.530 -11.545 48 HE1 HIS 7 HE1 HIS 7 -11.768 -17.318 -8.395 49 H HIS 8 H HIS 8 -10.948 -10.512 -7.218 50 HA HIS 8 HA HIS 8 -10.156 -8.590 -6.458 51 1HB HIS 8 HB2 HIS 8 -7.917 -8.935 -8.499 52 2HB HIS 8 HB1 HIS 8 -7.962 -7.637 -7.315 53 HD1 HIS 8 HD1 HIS 8 -6.589 -10.972 -7.770 54 HD2 HIS 8 HD2 HIS 8 -7.984 -8.731 -4.546 55 HE1 HIS 8 HE1 HIS 8 -5.658 -12.049 -5.716 56 H ASN 9 H ASN 9 -11.830 -7.489 -6.892 57 HA ASN 9 HA ASN 9 -12.855 -6.728 -9.358 58 1HB ASN 9 HB2 ASN 9 -13.337 -5.452 -6.659 59 2HB ASN 9 HB1 ASN 9 -14.283 -5.134 -8.102 60 1HD2 ASN 9 HD21 ASN 9 -13.608 -7.363 -5.548 61 2HD2 ASN 9 HD22 ASN 9 -14.900 -8.451 -5.861 62 H GLN 10 H GLN 10 -12.772 -4.967 -10.579 63 HA GLN 10 HA GLN 10 -10.525 -3.262 -10.277 64 1HB GLN 10 HB2 GLN 10 -11.360 -2.117 -12.319 65 2HB GLN 10 HB1 GLN 10 -11.141 -3.841 -12.519 66 1HG GLN 10 HG2 GLN 10 -13.543 -4.178 -12.308 67 2HG GLN 10 HG1 GLN 10 -13.763 -2.442 -12.068 68 1HE2 GLN 10 HE21 GLN 10 -15.069 -2.280 -13.914 69 2HE2 GLN 10 HE22 GLN 10 -14.390 -2.370 -15.493 70 H GLN 11 H GLN 11 -10.826 -0.870 -10.571 71 HA GLN 11 HA GLN 11 -11.311 1.088 -9.734 72 1HB GLN 11 HB2 GLN 11 -13.876 -0.108 -8.674 73 2HB GLN 11 HB1 GLN 11 -13.383 1.537 -8.339 74 1HG GLN 11 HG2 GLN 11 -13.392 1.936 -10.813 75 2HG GLN 11 HG1 GLN 11 -14.124 0.336 -10.989 76 1HE2 GLN 11 HE21 GLN 11 -16.048 1.203 -11.795 77 2HE2 GLN 11 HE22 GLN 11 -17.168 2.033 -10.775 78 H ASN 12 H ASN 12 -9.561 1.031 -8.600 79 HA ASN 12 HA ASN 12 -9.942 0.386 -5.811 80 1HB ASN 12 HB2 ASN 12 -7.463 0.745 -5.554 81 2HB ASN 12 HB1 ASN 12 -7.882 -0.572 -6.643 82 1HD2 ASN 12 HD21 ASN 12 -7.407 -0.394 -8.770 83 2HD2 ASN 12 HD22 ASN 12 -6.392 0.843 -9.426 84 H LYS 13 H LYS 13 -8.552 2.249 -4.443 85 HA LYS 13 HA LYS 13 -10.371 4.432 -4.915 86 1HB LYS 13 HB2 LYS 13 -10.264 3.728 -2.652 87 2HB LYS 13 HB1 LYS 13 -8.506 3.770 -2.642 88 1HG LYS 13 HG2 LYS 13 -8.582 6.210 -2.931 89 2HG LYS 13 HG1 LYS 13 -10.336 6.146 -2.872 90 1HD LYS 13 HD2 LYS 13 -8.582 5.160 -0.642 91 2HD LYS 13 HD1 LYS 13 -9.138 6.825 -0.755 92 1HE LYS 13 HE2 LYS 13 -11.479 5.876 -0.872 93 2HE LYS 13 HE1 LYS 13 -10.765 4.338 -0.371 94 1HZ LYS 13 HZ1 LYS 13 -9.963 5.394 1.654 95 2HZ LYS 13 HZ2 LYS 13 -11.621 5.759 1.493 96 3HZ LYS 13 HZ3 LYS 13 -10.446 6.884 1.068 97 H LYS 14 H LYS 14 -6.975 3.805 -4.965 98 HA LYS 14 HA LYS 14 -5.213 4.906 -5.624 99 1HB LYS 14 HB2 LYS 14 -6.162 6.019 -7.588 100 2HB LYS 14 HB1 LYS 14 -7.066 7.141 -6.582 101 1HG LYS 14 HG2 LYS 14 -5.011 8.107 -7.748 102 2HG LYS 14 HG1 LYS 14 -5.090 8.365 -6.003 103 1HD LYS 14 HD2 LYS 14 -3.646 6.397 -5.686 104 2HD LYS 14 HD1 LYS 14 -3.524 6.226 -7.430 105 1HE LYS 14 HE2 LYS 14 -2.640 8.707 -5.966 106 2HE LYS 14 HE1 LYS 14 -1.644 7.261 -6.207 107 1HZ LYS 14 HZ1 LYS 14 -1.676 7.515 -8.483 108 2HZ LYS 14 HZ2 LYS 14 -1.265 9.017 -7.864 109 3HZ LYS 14 HZ3 LYS 14 -2.822 8.762 -8.499 110 H VAL 15 H VAL 15 -4.456 4.777 -3.878 111 HA VAL 15 HA VAL 15 -4.654 5.440 -1.474 112 HB VAL 15 HB VAL 15 -2.646 4.608 -2.902 113 1HG1 VAL 15 HG11 VAL 15 -0.684 6.054 -2.852 114 2HG1 VAL 15 HG12 VAL 15 -1.791 7.379 -2.464 115 3HG1 VAL 15 HG13 VAL 15 -1.970 6.516 -3.989 116 1HG2 VAL 15 HG21 VAL 15 -2.241 5.888 -0.233 117 2HG2 VAL 15 HG22 VAL 15 -1.136 4.715 -0.968 118 3HG2 VAL 15 HG23 VAL 15 -2.789 4.245 -0.544 119 H GLU 16 H GLU 16 -5.337 7.180 -0.251 120 HA GLU 16 HA GLU 16 -4.976 9.925 -1.242 121 1HB GLU 16 HB2 GLU 16 -6.440 9.017 1.228 122 2HB GLU 16 HB1 GLU 16 -6.605 10.539 0.365 123 1HG GLU 16 HG2 GLU 16 -7.564 9.401 -1.508 124 2HG GLU 16 HG1 GLU 16 -7.304 7.859 -0.700 125 H GLY 17 H GLY 17 -4.794 8.545 2.025 126 1HA GLY 17 HA2 GLY 17 -2.106 9.534 2.243 127 2HA GLY 17 HA1 GLY 17 -3.313 10.319 3.288 128 H GLY 18 H GLY 18 -3.418 7.126 2.296 129 1HA GLY 18 HA2 GLY 18 -2.588 6.192 4.929 130 2HA GLY 18 HA1 GLY 18 -4.185 5.725 4.366 131 H TYR 19 H TYR 19 -3.566 3.503 4.479 132 HA TYR 19 HA TYR 19 -1.632 2.724 2.415 133 1HB TYR 19 HB2 TYR 19 -2.512 1.077 4.785 134 2HB TYR 19 HB1 TYR 19 -1.108 0.827 3.745 135 HD1 TYR 19 HD1 TYR 19 0.443 3.121 3.681 136 HD2 TYR 19 HD2 TYR 19 -1.996 1.805 6.904 137 HE1 TYR 19 HE1 TYR 19 1.784 4.472 5.243 138 HE2 TYR 19 HE2 TYR 19 -0.704 3.117 8.454 139 HH TYR 19 HH TYR 19 1.664 4.087 8.557 140 H GLU 20 H GLU 20 -2.580 2.223 0.686 141 HA GLU 20 HA GLU 20 -5.211 1.003 0.679 142 1HB GLU 20 HB2 GLU 20 -4.817 2.919 -0.823 143 2HB GLU 20 HB1 GLU 20 -3.425 2.115 -1.519 144 1HG GLU 20 HG2 GLU 20 -4.899 0.402 -2.462 145 2HG GLU 20 HG1 GLU 20 -6.282 1.206 -1.745 146 H CYS 21 H CYS 21 -5.281 -1.097 0.674 147 HA CYS 21 HA CYS 21 -3.111 -2.859 0.730 148 1HB CYS 21 HB2 CYS 21 -5.939 -3.389 -0.059 149 2HB CYS 21 HB1 CYS 21 -4.762 -4.657 0.241 150 H LYS 22 H LYS 22 -2.154 -4.189 -0.749 151 HA LYS 22 HA LYS 22 -2.376 -3.847 -3.521 152 1HB LYS 22 HB2 LYS 22 -0.363 -4.766 -2.792 153 2HB LYS 22 HB1 LYS 22 -1.150 -5.831 -1.642 154 1HG LYS 22 HG2 LYS 22 -0.106 -7.064 -3.464 155 2HG LYS 22 HG1 LYS 22 -1.849 -7.294 -3.447 156 1HD LYS 22 HD2 LYS 22 -1.987 -5.507 -5.194 157 2HD LYS 22 HD1 LYS 22 -0.215 -5.581 -5.273 158 1HE LYS 22 HE2 LYS 22 -0.306 -7.929 -5.861 159 2HE LYS 22 HE1 LYS 22 -2.054 -7.944 -5.681 160 1HZ LYS 22 HZ1 LYS 22 -1.303 -7.857 -7.963 161 2HZ LYS 22 HZ2 LYS 22 -0.587 -6.349 -7.716 162 3HZ LYS 22 HZ3 LYS 22 -2.268 -6.544 -7.577 163 H TYR 23 H TYR 23 -4.153 -5.649 -1.182 164 HA TYR 23 HA TYR 23 -5.005 -7.584 -3.155 165 1HB TYR 23 HB2 TYR 23 -5.732 -7.925 -0.327 166 2HB TYR 23 HB1 TYR 23 -5.116 -9.092 -1.482 167 HD1 TYR 23 HD1 TYR 23 -2.583 -9.245 -1.842 168 HD2 TYR 23 HD2 TYR 23 -4.291 -6.799 1.186 169 HE1 TYR 23 HE1 TYR 23 -0.412 -9.168 -0.656 170 HE2 TYR 23 HE2 TYR 23 -2.148 -6.723 2.357 171 HH TYR 23 HH TYR 23 -0.173 -8.098 2.544 172 H CYS 24 H CYS 24 -6.119 -4.679 -2.207 173 HA CYS 24 HA CYS 24 -8.745 -5.286 -3.003 174 1HB CYS 24 HB2 CYS 24 -9.977 -4.812 -0.941 175 2HB CYS 24 HB1 CYS 24 -8.851 -6.167 -0.773 176 H THR 25 H THR 25 -10.229 -3.297 -2.438 177 HA THR 25 HA THR 25 -8.907 -0.907 -3.391 178 HB THR 25 HB THR 25 -11.778 -1.722 -2.892 179 HG1 THR 25 HG1 THR 25 -11.319 -1.270 -5.454 180 1HG2 THR 25 HG21 THR 25 -10.755 0.845 -4.174 181 2HG2 THR 25 HG22 THR 25 -11.745 0.695 -2.732 182 3HG2 THR 25 HG23 THR 25 -12.415 0.269 -4.304 183 H PHE 26 H PHE 26 -9.501 -2.261 -0.409 184 HA PHE 26 HA PHE 26 -10.531 0.098 0.889 185 1HB PHE 26 HB2 PHE 26 -9.786 -2.577 2.071 186 2HB PHE 26 HB1 PHE 26 -10.634 -1.279 2.911 187 HD1 PHE 26 HD1 PHE 26 -12.877 -0.525 1.980 188 HD2 PHE 26 HD2 PHE 26 -10.968 -4.129 0.808 189 HE1 PHE 26 HE1 PHE 26 -15.020 -1.376 1.120 190 HE2 PHE 26 HE2 PHE 26 -13.105 -4.988 -0.054 191 HZ PHE 26 HZ PHE 26 -15.133 -3.610 0.099 192 H GLN 27 H GLN 27 -9.483 1.461 2.055 193 HA GLN 27 HA GLN 27 -6.618 1.108 2.480 194 1HB GLN 27 HB2 GLN 27 -6.593 2.622 0.712 195 2HB GLN 27 HB1 GLN 27 -8.110 3.354 1.217 196 1HG GLN 27 HG2 GLN 27 -7.055 4.600 2.928 197 2HG GLN 27 HG1 GLN 27 -5.575 3.670 2.784 198 1HE2 GLN 27 HE21 GLN 27 -4.161 4.213 1.352 199 2HE2 GLN 27 HE22 GLN 27 -4.205 5.602 0.342 200 H THR 28 H THR 28 -5.875 1.800 4.384 201 HA THR 28 HA THR 28 -7.476 3.545 6.033 202 HB THR 28 HB THR 28 -8.069 1.345 6.917 203 HG1 THR 28 HG1 THR 28 -7.918 2.663 8.577 204 1HG2 THR 28 HG21 THR 28 -6.121 0.066 6.092 205 2HG2 THR 28 HG22 THR 28 -6.370 -0.195 7.819 206 3HG2 THR 28 HG23 THR 28 -5.100 0.882 7.274 207 HA PRO 29 HA PRO 29 -3.359 5.237 6.390 208 1HB PRO 29 HB2 PRO 29 -3.957 7.289 8.058 209 2HB PRO 29 HB1 PRO 29 -4.289 7.317 6.323 210 1HG PRO 29 HG2 PRO 29 -6.152 6.801 8.594 211 2HG PRO 29 HG1 PRO 29 -6.416 7.666 7.065 212 1HD PRO 29 HD2 PRO 29 -7.276 5.098 7.539 213 2HD PRO 29 HD1 PRO 29 -6.922 5.759 5.924 214 H ASP 30 H ASP 30 -5.067 3.676 8.744 215 HA ASP 30 HA ASP 30 -3.052 4.063 10.813 216 1HB ASP 30 HB2 ASP 30 -5.634 2.505 10.759 217 2HB ASP 30 HB1 ASP 30 -4.530 2.502 12.128 218 H LEU 31 H LEU 31 -1.324 2.808 10.685 219 HA LEU 31 HA LEU 31 -0.979 0.635 8.996 220 1HB LEU 31 HB2 LEU 31 0.688 2.172 10.369 221 2HB LEU 31 HB1 LEU 31 0.570 0.885 11.546 222 HG LEU 31 HG LEU 31 2.559 0.547 10.232 223 1HD1 LEU 31 HD11 LEU 31 0.433 -1.322 9.313 224 2HD1 LEU 31 HD12 LEU 31 1.364 -1.498 10.803 225 3HD1 LEU 31 HD13 LEU 31 2.165 -1.659 9.218 226 1HD2 LEU 31 HD21 LEU 31 0.781 0.602 7.828 227 2HD2 LEU 31 HD22 LEU 31 2.533 0.335 7.824 228 3HD2 LEU 31 HD23 LEU 31 1.853 1.887 8.343 229 H ASN 32 H ASN 32 -1.834 0.881 12.440 230 HA ASN 32 HA ASN 32 -1.847 -1.751 13.221 231 1HB ASN 32 HB2 ASN 32 -2.336 0.245 14.711 232 2HB ASN 32 HB1 ASN 32 -3.882 0.311 13.842 233 1HD2 ASN 32 HD21 ASN 32 -2.776 -2.865 14.501 234 2HD2 ASN 32 HD22 ASN 32 -3.902 -3.075 15.777 235 H MET 33 H MET 33 -4.401 0.154 11.747 236 HA MET 33 HA MET 33 -6.260 -2.004 11.715 237 1HB MET 33 HB2 MET 33 -6.354 0.561 10.142 238 2HB MET 33 HB1 MET 33 -7.691 -0.548 10.393 239 1HG MET 33 HG2 MET 33 -6.246 0.998 12.480 240 2HG MET 33 HG1 MET 33 -7.837 1.417 11.840 241 1HE MET 33 HE1 MET 33 -8.900 1.528 14.253 242 2HE MET 33 HE2 MET 33 -7.314 1.201 14.954 243 3HE MET 33 HE3 MET 33 -8.719 0.274 15.481 244 H PHE 34 H PHE 34 -3.992 -0.618 9.497 245 HA PHE 34 HA PHE 34 -4.781 -2.003 7.205 246 1HB PHE 34 HB2 PHE 34 -3.245 -0.156 6.982 247 2HB PHE 34 HB1 PHE 34 -2.074 -0.916 8.020 248 HD1 PHE 34 HD1 PHE 34 -0.475 -2.370 7.185 249 HD2 PHE 34 HD2 PHE 34 -3.751 -1.269 4.670 250 HE1 PHE 34 HE1 PHE 34 0.628 -3.444 5.254 251 HE2 PHE 34 HE2 PHE 34 -2.658 -2.324 2.770 252 HZ PHE 34 HZ PHE 34 -0.472 -3.423 3.044 253 H THR 35 H THR 35 -2.244 -2.852 9.531 254 HA THR 35 HA THR 35 -1.832 -5.359 8.249 255 HB THR 35 HB THR 35 0.064 -4.468 9.448 256 HG1 THR 35 HG1 THR 35 0.301 -6.333 11.079 257 1HG2 THR 35 HG21 THR 35 -1.593 -4.710 11.966 258 2HG2 THR 35 HG22 THR 35 -1.071 -3.220 11.161 259 3HG2 THR 35 HG23 THR 35 0.125 -4.286 11.901 260 H PHE 36 H PHE 36 -3.916 -4.284 10.723 261 HA PHE 36 HA PHE 36 -4.818 -6.792 11.651 262 1HB PHE 36 HB2 PHE 36 -5.490 -5.026 13.027 263 2HB PHE 36 HB1 PHE 36 -5.869 -3.985 11.685 264 HD1 PHE 36 HD1 PHE 36 -8.089 -3.525 11.312 265 HD2 PHE 36 HD2 PHE 36 -7.050 -7.252 13.062 266 HE1 PHE 36 HE1 PHE 36 -10.477 -4.103 11.456 267 HE2 PHE 36 HE2 PHE 36 -9.444 -7.840 13.223 268 HZ PHE 36 HZ PHE 36 -11.155 -6.263 12.417 269 H HIS 37 H HIS 37 -6.205 -4.572 9.263 270 HA HIS 37 HA HIS 37 -8.180 -6.257 8.284 271 1HB HIS 37 HB2 HIS 37 -8.427 -3.970 7.848 272 2HB HIS 37 HB1 HIS 37 -6.786 -3.795 7.271 273 HD1 HIS 37 HD1 HIS 37 -10.270 -4.746 6.084 274 HD2 HIS 37 HD2 HIS 37 -6.405 -4.277 4.627 275 HE1 HIS 37 HE1 HIS 37 -10.486 -4.678 3.590 276 H VAL 38 H VAL 38 -4.814 -5.968 7.444 277 HA VAL 38 HA VAL 38 -4.963 -7.654 5.174 278 HB VAL 38 HB VAL 38 -2.694 -6.883 6.977 279 1HG1 VAL 38 HG11 VAL 38 -1.150 -7.916 5.289 280 2HG1 VAL 38 HG12 VAL 38 -2.557 -8.524 4.413 281 3HG1 VAL 38 HG13 VAL 38 -2.203 -9.123 6.034 282 1HG2 VAL 38 HG21 VAL 38 -1.915 -5.625 4.988 283 2HG2 VAL 38 HG22 VAL 38 -3.511 -5.125 5.555 284 3HG2 VAL 38 HG23 VAL 38 -3.368 -6.156 4.133 285 H ASP 39 H ASP 39 -4.103 -8.247 8.550 286 HA ASP 39 HA ASP 39 -3.611 -11.004 8.233 287 1HB ASP 39 HB2 ASP 39 -2.828 -9.694 10.149 288 2HB ASP 39 HB1 ASP 39 -4.490 -9.441 10.662 289 H SER 40 H SER 40 -6.449 -9.172 8.667 290 HA SER 40 HA SER 40 -8.091 -11.445 9.377 291 1HB SER 40 HB2 SER 40 -8.472 -9.217 10.375 292 2HB SER 40 HB1 SER 40 -8.902 -8.599 8.791 293 HG SER 40 HG SER 40 -10.747 -9.632 8.808 294 H GLU 41 H GLU 41 -7.685 -9.311 6.556 295 HA GLU 41 HA GLU 41 -9.817 -10.851 5.250 296 1HB GLU 41 HB2 GLU 41 -8.631 -8.245 4.323 297 2HB GLU 41 HB1 GLU 41 -10.078 -9.032 3.708 298 1HG GLU 41 HG2 GLU 41 -9.681 -7.839 6.430 299 2HG GLU 41 HG1 GLU 41 -10.678 -7.176 5.133 300 H HIS 42 H HIS 42 -6.344 -10.187 4.965 301 HA HIS 42 HA HIS 42 -6.305 -11.920 2.635 302 1HB HIS 42 HB2 HIS 42 -4.342 -9.663 2.769 303 2HB HIS 42 HB1 HIS 42 -5.064 -10.450 1.384 304 HD1 HIS 42 HD1 HIS 42 -7.671 -9.609 0.891 305 HD2 HIS 42 HD2 HIS 42 -5.309 -7.160 3.284 306 HE1 HIS 42 HE1 HIS 42 -8.765 -7.354 0.859 307 HA PRO 43 HA PRO 43 -3.404 -12.679 6.369 308 1HB PRO 43 HB2 PRO 43 -4.060 -15.307 6.774 309 2HB PRO 43 HB1 PRO 43 -4.908 -13.955 7.541 310 1HG PRO 43 HG2 PRO 43 -5.671 -15.488 5.071 311 2HG PRO 43 HG1 PRO 43 -6.698 -15.009 6.439 312 1HD PRO 43 HD2 PRO 43 -6.689 -13.655 4.146 313 2HD PRO 43 HD1 PRO 43 -6.840 -12.832 5.712 314 H ASN 44 H ASN 44 -4.249 -14.798 3.724 315 HA ASN 44 HA ASN 44 -1.450 -15.134 3.065 316 1HB ASN 44 HB2 ASN 44 -3.567 -17.276 3.207 317 2HB ASN 44 HB1 ASN 44 -2.130 -17.452 2.209 318 1HD2 ASN 44 HD21 ASN 44 -0.160 -17.765 3.209 319 2HD2 ASN 44 HD22 ASN 44 -0.018 -18.203 4.875 320 H VAL 45 H VAL 45 -1.110 -15.074 0.874 321 HA VAL 45 HA VAL 45 -3.314 -14.871 -0.880 322 HB VAL 45 HB VAL 45 -3.402 -12.720 0.233 323 1HG1 VAL 45 HG11 VAL 45 -0.557 -12.237 -0.541 324 2HG1 VAL 45 HG12 VAL 45 -1.266 -12.451 1.076 325 3HG1 VAL 45 HG13 VAL 45 -1.687 -11.043 0.132 326 1HG2 VAL 45 HG21 VAL 45 -2.362 -12.352 -2.568 327 2HG2 VAL 45 HG22 VAL 45 -3.314 -11.183 -1.628 328 3HG2 VAL 45 HG23 VAL 45 -4.026 -12.723 -2.096 329 H VAL 46 H VAL 46 -2.422 -14.392 -3.165 330 HA VAL 46 HA VAL 46 -0.192 -16.215 -3.348 331 HB VAL 46 HB VAL 46 -0.779 -16.505 -5.725 332 1HG1 VAL 46 HG11 VAL 46 -3.051 -16.889 -3.781 333 2HG1 VAL 46 HG12 VAL 46 -1.687 -17.982 -4.016 334 3HG1 VAL 46 HG13 VAL 46 -2.853 -17.739 -5.317 335 1HG2 VAL 46 HG21 VAL 46 -3.102 -14.679 -5.072 336 2HG2 VAL 46 HG22 VAL 46 -2.898 -15.590 -6.571 337 3HG2 VAL 46 HG23 VAL 46 -1.766 -14.303 -6.157 338 H LEU 47 H LEU 47 1.411 -16.115 -4.824 339 HA LEU 47 HA LEU 47 2.968 -13.788 -4.765 340 1HB LEU 47 HB2 LEU 47 3.962 -15.947 -4.680 341 2HB LEU 47 HB1 LEU 47 3.230 -16.409 -6.199 342 HG LEU 47 HG LEU 47 4.718 -14.800 -7.369 343 1HD1 LEU 47 HD11 LEU 47 5.102 -13.220 -5.570 344 2HD1 LEU 47 HD12 LEU 47 6.631 -13.864 -6.176 345 3HD1 LEU 47 HD13 LEU 47 5.958 -14.465 -4.660 346 1HD2 LEU 47 HD21 LEU 47 6.111 -16.816 -5.623 347 2HD2 LEU 47 HD22 LEU 47 6.757 -16.113 -7.107 348 3HD2 LEU 47 HD23 LEU 47 5.322 -17.141 -7.166 349 H ASN 48 H ASN 48 3.378 -12.255 -6.171 350 HA ASN 48 HA ASN 48 3.264 -12.382 -8.915 351 1HB ASN 48 HB2 ASN 48 1.479 -10.811 -9.463 352 2HB ASN 48 HB1 ASN 48 0.758 -12.127 -8.561 353 1HD2 ASN 48 HD21 ASN 48 1.399 -11.269 -5.926 354 2HD2 ASN 48 HD22 ASN 48 0.527 -9.822 -5.613 355 H SER 49 H SER 49 3.494 -9.873 -9.633 356 HA SER 49 HA SER 49 5.596 -8.916 -7.858 357 1HB SER 49 HB2 SER 49 4.813 -8.033 -10.641 358 2HB SER 49 HB1 SER 49 6.277 -7.568 -9.772 359 HG SER 49 HG SER 49 5.534 -10.149 -10.675 360 H SER 50 H SER 50 5.224 -7.211 -6.454 361 HA SER 50 HA SER 50 3.464 -5.079 -7.190 362 1HB SER 50 HB2 SER 50 3.148 -6.729 -4.684 363 2HB SER 50 HB1 SER 50 2.254 -5.272 -5.120 364 HG SER 50 HG SER 50 2.127 -6.962 -7.132 365 H TYR 51 H TYR 51 3.634 -3.399 -5.301 366 HA TYR 51 HA TYR 51 6.409 -3.356 -4.352 367 1HB TYR 51 HB2 TYR 51 4.674 -1.265 -5.551 368 2HB TYR 51 HB1 TYR 51 5.900 -0.819 -4.384 369 HD1 TYR 51 HD1 TYR 51 6.042 -3.302 -7.174 370 HD2 TYR 51 HD2 TYR 51 7.451 0.358 -5.548 371 HE1 TYR 51 HE1 TYR 51 7.654 -3.130 -9.017 372 HE2 TYR 51 HE2 TYR 51 9.107 0.536 -7.383 373 HH TYR 51 HH TYR 51 8.851 -1.213 -10.152 374 H VAL 52 H VAL 52 6.795 -2.700 -2.338 375 HA VAL 52 HA VAL 52 4.541 -1.932 -0.630 376 HB VAL 52 HB VAL 52 5.048 -4.354 -0.293 377 1HG1 VAL 52 HG11 VAL 52 7.089 -5.049 0.718 378 2HG1 VAL 52 HG12 VAL 52 7.689 -3.414 0.683 379 3HG1 VAL 52 HG13 VAL 52 7.399 -4.290 -0.847 380 1HG2 VAL 52 HG21 VAL 52 5.416 -4.391 2.111 381 2HG2 VAL 52 HG22 VAL 52 4.226 -3.192 1.618 382 3HG2 VAL 52 HG23 VAL 52 5.861 -2.682 2.057 383 H CYS 53 H CYS 53 5.021 -0.359 0.769 384 HA CYS 53 HA CYS 53 7.633 0.983 0.615 385 1HB CYS 53 HB2 CYS 53 5.636 2.364 0.747 386 2HB CYS 53 HB1 CYS 53 5.089 1.519 2.173 387 H VAL 54 H VAL 54 9.139 -0.339 1.649 388 HA VAL 54 HA VAL 54 8.660 -2.054 3.761 389 HB VAL 54 HB VAL 54 11.236 -0.839 4.114 390 1HG1 VAL 54 HG11 VAL 54 10.411 -3.412 2.957 391 2HG1 VAL 54 HG12 VAL 54 10.670 -3.101 4.695 392 3HG1 VAL 54 HG13 VAL 54 12.026 -3.015 3.534 393 1HG2 VAL 54 HG21 VAL 54 12.148 -1.463 1.875 394 2HG2 VAL 54 HG22 VAL 54 11.165 -0.015 1.945 395 3HG2 VAL 54 HG23 VAL 54 10.478 -1.474 1.284 396 H GLU 55 H GLU 55 9.290 1.328 3.737 397 HA GLU 55 HA GLU 55 9.954 1.841 6.384 398 1HB GLU 55 HB2 GLU 55 8.312 3.641 4.616 399 2HB GLU 55 HB1 GLU 55 9.356 4.132 5.938 400 1HG GLU 55 HG2 GLU 55 10.309 2.839 3.389 401 2HG GLU 55 HG1 GLU 55 10.293 4.569 3.691 402 H CYS 56 H CYS 56 6.897 1.479 4.821 403 HA CYS 56 HA CYS 56 5.436 1.920 7.391 404 1HB CYS 56 HB2 CYS 56 4.370 1.542 4.622 405 2HB CYS 56 HB1 CYS 56 3.457 2.132 6.010 406 H ASN 57 H ASN 57 6.459 -0.328 5.199 407 HA ASN 57 HA ASN 57 6.004 -2.274 4.461 408 1HB ASN 57 HB2 ASN 57 6.619 -2.634 6.958 409 2HB ASN 57 HB1 ASN 57 5.013 -3.289 7.078 410 1HD2 ASN 57 HD21 ASN 57 7.900 -3.479 5.517 411 2HD2 ASN 57 HD22 ASN 57 7.797 -5.151 5.115 412 H PHE 58 H PHE 58 4.502 -1.344 3.224 413 HA PHE 58 HA PHE 58 1.957 -2.501 3.760 414 1HB PHE 58 HB2 PHE 58 0.623 -0.625 3.798 415 2HB PHE 58 HB1 PHE 58 2.109 0.120 4.349 416 HD1 PHE 58 HD1 PHE 58 3.311 1.644 2.861 417 HD2 PHE 58 HD2 PHE 58 -0.288 -0.186 1.672 418 HE1 PHE 58 HE1 PHE 58 3.068 3.343 0.979 419 HE2 PHE 58 HE2 PHE 58 -0.549 1.501 -0.170 420 HZ PHE 58 HZ PHE 58 1.151 3.220 -0.494 421 H LEU 59 H LEU 59 1.121 -3.430 1.962 422 HA LEU 59 HA LEU 59 2.561 -3.091 -0.551 423 1HB LEU 59 HB2 LEU 59 1.008 -5.266 0.684 424 2HB LEU 59 HB1 LEU 59 0.778 -5.081 -1.037 425 HG LEU 59 HG LEU 59 3.477 -5.458 0.236 426 1HD1 LEU 59 HD11 LEU 59 3.225 -7.780 -0.547 427 2HD1 LEU 59 HD12 LEU 59 1.594 -7.364 -1.138 428 3HD1 LEU 59 HD13 LEU 59 1.931 -7.344 0.583 429 1HD2 LEU 59 HD21 LEU 59 2.478 -5.602 -2.621 430 2HD2 LEU 59 HD22 LEU 59 4.073 -6.084 -2.096 431 3HD2 LEU 59 HD23 LEU 59 3.583 -4.401 -1.955 432 H THR 60 H THR 60 1.549 -2.275 -2.298 433 HA THR 60 HA THR 60 -1.264 -1.690 -1.946 434 HB THR 60 HB THR 60 -0.254 0.316 -1.523 435 HG1 THR 60 HG1 THR 60 -1.804 0.927 -2.817 436 1HG2 THR 60 HG21 THR 60 1.539 -0.010 -3.938 437 2HG2 THR 60 HG22 THR 60 1.990 -0.228 -2.252 438 3HG2 THR 60 HG23 THR 60 1.544 1.361 -2.818 439 H LYS 61 H LYS 61 -2.427 -1.339 -3.845 440 HA LYS 61 HA LYS 61 -1.888 -3.360 -5.810 441 1HB LYS 61 HB2 LYS 61 -4.124 -2.947 -4.800 442 2HB LYS 61 HB1 LYS 61 -4.159 -1.369 -5.558 443 1HG LYS 61 HG2 LYS 61 -4.078 -2.467 -7.761 444 2HG LYS 61 HG1 LYS 61 -4.143 -4.032 -6.952 445 1HD LYS 61 HD2 LYS 61 -6.232 -1.874 -6.686 446 2HD LYS 61 HD1 LYS 61 -6.347 -3.224 -7.809 447 1HE LYS 61 HE2 LYS 61 -6.220 -3.423 -4.786 448 2HE LYS 61 HE1 LYS 61 -7.659 -3.613 -5.778 449 1HZ LYS 61 HZ1 LYS 61 -5.286 -5.417 -5.726 450 2HZ LYS 61 HZ2 LYS 61 -6.495 -5.515 -6.867 451 3HZ LYS 61 HZ3 LYS 61 -6.862 -5.787 -5.246 452 H ARG 62 H ARG 62 -1.002 -0.154 -5.452 453 HA ARG 62 HA ARG 62 -0.591 0.074 -8.319 454 1HB ARG 62 HB2 ARG 62 -1.055 2.493 -8.189 455 2HB ARG 62 HB1 ARG 62 -2.459 1.481 -7.894 456 1HG ARG 62 HG2 ARG 62 -2.274 1.904 -5.497 457 2HG ARG 62 HG1 ARG 62 -0.805 2.818 -5.781 458 1HD ARG 62 HD2 ARG 62 -2.844 4.205 -5.484 459 2HD ARG 62 HD1 ARG 62 -1.962 4.543 -6.952 460 HE ARG 62 HE ARG 62 -4.450 2.970 -6.757 461 1HH1 ARG 62 HH11 ARG 62 -2.215 4.982 -8.712 462 2HH1 ARG 62 HH12 ARG 62 -3.328 5.195 -9.975 463 1HH2 ARG 62 HH21 ARG 62 -5.909 3.287 -8.535 464 2HH2 ARG 62 HH22 ARG 62 -5.464 4.212 -9.912 465 H TYR 63 H TYR 63 1.377 0.373 -8.833 466 HA TYR 63 HA TYR 63 3.514 0.616 -7.069 467 1HB TYR 63 HB2 TYR 63 4.866 1.137 -9.167 468 2HB TYR 63 HB1 TYR 63 3.953 -0.365 -9.175 469 HD1 TYR 63 HD1 TYR 63 3.872 3.153 -10.390 470 HD2 TYR 63 HD2 TYR 63 2.395 -0.794 -10.877 471 HE1 TYR 63 HE1 TYR 63 2.799 3.825 -12.480 472 HE2 TYR 63 HE2 TYR 63 1.309 -0.127 -12.972 473 HH TYR 63 HH TYR 63 2.064 2.569 -14.611 474 H ASP 64 H ASP 64 1.566 3.103 -8.475 475 HA ASP 64 HA ASP 64 3.451 5.210 -8.152 476 1HB ASP 64 HB2 ASP 64 1.473 6.660 -8.451 477 2HB ASP 64 HB1 ASP 64 1.832 5.581 -9.820 478 H ALA 65 H ALA 65 1.129 3.760 -6.051 479 HA ALA 65 HA ALA 65 0.859 5.822 -4.175 480 1HB ALA 65 HB1 ALA 65 0.396 3.987 -2.547 481 2HB ALA 65 HB2 ALA 65 0.816 2.830 -3.828 482 3HB ALA 65 HB3 ALA 65 -0.549 3.922 -4.018 483 H LEU 66 H LEU 66 3.505 3.711 -4.808 484 HA LEU 66 HA LEU 66 4.934 4.296 -2.362 485 1HB LEU 66 HB2 LEU 66 5.949 3.085 -4.890 486 2HB LEU 66 HB1 LEU 66 6.795 3.102 -3.356 487 HG LEU 66 HG LEU 66 6.006 0.954 -3.507 488 1HD1 LEU 66 HD11 LEU 66 4.270 0.686 -1.828 489 2HD1 LEU 66 HD12 LEU 66 3.861 2.387 -2.002 490 3HD1 LEU 66 HD13 LEU 66 5.443 1.926 -1.352 491 1HD2 LEU 66 HD21 LEU 66 3.768 0.312 -4.218 492 2HD2 LEU 66 HD22 LEU 66 4.612 1.273 -5.448 493 3HD2 LEU 66 HD23 LEU 66 3.367 2.017 -4.454 494 H SER 67 H SER 67 4.800 5.463 -5.549 495 HA SER 67 HA SER 67 7.274 6.969 -5.545 496 1HB SER 67 HB2 SER 67 4.866 6.684 -7.189 497 2HB SER 67 HB1 SER 67 6.020 7.959 -7.578 498 HG SER 67 HG SER 67 7.409 5.746 -7.264 499 H GLU 68 H GLU 68 3.859 7.760 -5.301 500 HA GLU 68 HA GLU 68 4.448 10.487 -4.743 501 1HB GLU 68 HB2 GLU 68 1.871 9.461 -3.806 502 2HB GLU 68 HB1 GLU 68 2.280 10.897 -4.748 503 1HG GLU 68 HG2 GLU 68 2.671 9.255 -6.683 504 2HG GLU 68 HG1 GLU 68 1.865 8.106 -5.674 505 H HIS 69 H HIS 69 4.390 7.664 -2.976 506 HA HIS 69 HA HIS 69 3.490 8.282 -0.464 507 1HB HIS 69 HB2 HIS 69 4.429 6.106 -1.409 508 2HB HIS 69 HB1 HIS 69 5.995 6.745 -0.849 509 HD1 HIS 69 HD1 HIS 69 2.565 5.885 0.515 510 HD2 HIS 69 HD2 HIS 69 6.526 6.135 1.540 511 HE1 HIS 69 HE1 HIS 69 2.683 5.042 2.889 512 H ASN 70 H ASN 70 6.958 8.662 -1.409 513 HA ASN 70 HA ASN 70 7.570 10.223 0.934 514 1HB ASN 70 HB2 ASN 70 9.730 10.614 -0.204 515 2HB ASN 70 HB1 ASN 70 9.313 8.908 -0.065 516 1HD2 ASN 70 HD21 ASN 70 11.105 10.069 -1.724 517 2HD2 ASN 70 HD22 ASN 70 10.617 9.716 -3.387 518 H LEU 71 H LEU 71 6.043 10.968 -1.867 519 HA LEU 71 HA LEU 71 6.892 13.690 -2.020 520 1HB LEU 71 HB2 LEU 71 6.187 12.823 -4.074 521 2HB LEU 71 HB1 LEU 71 4.880 11.932 -3.343 522 HG LEU 71 HG LEU 71 3.558 13.873 -3.171 523 1HD1 LEU 71 HD11 LEU 71 5.897 15.318 -4.511 524 2HD1 LEU 71 HD12 LEU 71 5.340 15.595 -2.861 525 3HD1 LEU 71 HD13 LEU 71 4.314 16.037 -4.226 526 1HD2 LEU 71 HD21 LEU 71 3.224 14.337 -5.579 527 2HD2 LEU 71 HD22 LEU 71 3.398 12.626 -5.197 528 3HD2 LEU 71 HD23 LEU 71 4.749 13.514 -5.908 529 H LYS 72 H LYS 72 4.002 11.977 -0.928 530 HA LYS 72 HA LYS 72 3.251 14.389 0.543 531 1HB LYS 72 HB2 LYS 72 0.955 12.967 0.465 532 2HB LYS 72 HB1 LYS 72 1.358 14.296 -0.643 533 1HG LYS 72 HG2 LYS 72 2.357 12.444 -2.096 534 2HG LYS 72 HG1 LYS 72 1.561 11.307 -1.063 535 1HD LYS 72 HD2 LYS 72 0.201 13.488 -2.640 536 2HD LYS 72 HD1 LYS 72 0.172 11.763 -2.999 537 1HE LYS 72 HE2 LYS 72 -1.079 11.374 -0.865 538 2HE LYS 72 HE1 LYS 72 -1.022 13.102 -0.551 539 1HZ LYS 72 HZ1 LYS 72 -3.106 12.371 -1.458 540 2HZ LYS 72 HZ2 LYS 72 -2.348 11.789 -2.839 541 3HZ LYS 72 HZ3 LYS 72 -2.354 13.449 -2.514 542 H TYR 73 H TYR 73 3.502 11.011 0.861 543 HA TYR 73 HA TYR 73 2.360 10.858 3.532 544 1HB TYR 73 HB2 TYR 73 3.807 8.836 1.857 545 2HB TYR 73 HB1 TYR 73 3.115 8.445 3.435 546 HD1 TYR 73 HD1 TYR 73 1.921 10.283 0.427 547 HD2 TYR 73 HD2 TYR 73 1.259 7.091 3.118 548 HE1 TYR 73 HE1 TYR 73 -0.108 9.765 -0.733 549 HE2 TYR 73 HE2 TYR 73 -0.812 6.551 1.948 550 HH TYR 73 HH TYR 73 -1.592 8.158 -1.016 551 H HIS 74 H HIS 74 5.591 10.192 2.146 552 HA HIS 74 HA HIS 74 6.729 10.968 4.800 553 1HB HIS 74 HB2 HIS 74 7.981 9.250 2.633 554 2HB HIS 74 HB1 HIS 74 8.816 9.722 4.102 555 HD1 HIS 74 HD1 HIS 74 6.762 8.754 6.244 556 HD2 HIS 74 HD2 HIS 74 7.751 6.707 2.788 557 HE1 HIS 74 HE1 HIS 74 6.144 6.356 6.682 558 HA PRO 75 HA PRO 75 7.757 14.134 1.539 559 1HB PRO 75 HB2 PRO 75 7.001 16.321 2.847 560 2HB PRO 75 HB1 PRO 75 5.810 15.270 2.059 561 1HG PRO 75 HG2 PRO 75 6.639 15.312 4.956 562 2HG PRO 75 HG1 PRO 75 4.990 15.307 4.277 563 1HD PRO 75 HD2 PRO 75 6.214 13.026 5.134 564 2HD PRO 75 HD1 PRO 75 5.101 13.079 3.751 565 H GLY 76 H GLY 76 9.516 15.303 1.300 566 1HA GLY 76 HA2 GLY 76 10.948 16.894 2.909 567 2HA GLY 76 HA1 GLY 76 11.503 15.302 3.414 568 H GLU 77 H GLU 77 11.440 14.001 0.973 569 HA GLU 77 HA GLU 77 13.021 15.426 -0.929 570 1HB GLU 77 HB2 GLU 77 14.983 13.909 -0.704 571 2HB GLU 77 HB1 GLU 77 14.753 14.924 0.710 572 1HG GLU 77 HG2 GLU 77 15.059 12.992 1.846 573 2HG GLU 77 HG1 GLU 77 13.367 12.726 1.413 574 H GLU 78 H GLU 78 13.746 13.626 -2.618 575 HA GLU 78 HA GLU 78 11.611 11.621 -2.669 576 1HB GLU 78 HB2 GLU 78 11.004 13.623 -4.014 577 2HB GLU 78 HB1 GLU 78 12.478 13.355 -4.935 578 1HG GLU 78 HG2 GLU 78 11.631 11.297 -5.797 579 2HG GLU 78 HG1 GLU 78 10.189 11.412 -4.780 580 H ASN 79 H ASN 79 13.127 10.074 -2.094 581 HA ASN 79 HA ASN 79 14.828 9.051 -4.235 582 1HB ASN 79 HB2 ASN 79 15.766 9.735 -1.461 583 2HB ASN 79 HB1 ASN 79 16.737 8.807 -2.616 584 1HD2 ASN 79 HD21 ASN 79 15.479 11.796 -1.722 585 2HD2 ASN 79 HD22 ASN 79 16.292 12.870 -2.799 586 H PHE 80 H PHE 80 13.447 7.303 -4.261 587 HA PHE 80 HA PHE 80 13.335 5.641 -1.847 588 1HB PHE 80 HB2 PHE 80 11.437 6.267 -3.942 589 2HB PHE 80 HB1 PHE 80 11.674 4.540 -3.750 590 HD1 PHE 80 HD1 PHE 80 9.823 7.289 -2.682 591 HD2 PHE 80 HD2 PHE 80 11.571 3.720 -1.237 592 HE1 PHE 80 HE1 PHE 80 8.182 7.226 -0.843 593 HE2 PHE 80 HE2 PHE 80 9.925 3.633 0.568 594 HZ PHE 80 HZ PHE 80 8.224 5.380 0.768 595 H LYS 81 H LYS 81 14.111 3.618 -1.924 596 HA LYS 81 HA LYS 81 15.694 2.899 -4.292 597 1HB LYS 81 HB2 LYS 81 17.322 2.070 -2.854 598 2HB LYS 81 HB1 LYS 81 16.549 3.229 -1.772 599 1HG LYS 81 HG2 LYS 81 15.245 1.534 -0.741 600 2HG LYS 81 HG1 LYS 81 15.805 0.333 -1.892 601 1HD LYS 81 HD2 LYS 81 18.152 0.890 -1.024 602 2HD LYS 81 HD1 LYS 81 17.287 1.652 0.326 603 1HE LYS 81 HE2 LYS 81 16.068 -0.448 0.693 604 2HE LYS 81 HE1 LYS 81 16.992 -1.170 -0.618 605 1HZ LYS 81 HZ1 LYS 81 19.020 -0.812 0.679 606 2HZ LYS 81 HZ2 LYS 81 17.918 -1.764 1.534 607 3HZ LYS 81 HZ3 LYS 81 18.117 -0.141 1.945 608 H LEU 82 H LEU 82 15.817 0.405 -4.517 609 HA LEU 82 HA LEU 82 13.233 -0.724 -3.830 610 1HB LEU 82 HB2 LEU 82 13.100 -1.851 -6.024 611 2HB LEU 82 HB1 LEU 82 12.998 -0.113 -6.153 612 HG LEU 82 HG LEU 82 15.588 -1.549 -6.652 613 1HD1 LEU 82 HD11 LEU 82 13.885 -2.551 -8.131 614 2HD1 LEU 82 HD12 LEU 82 14.987 -1.538 -9.063 615 3HD1 LEU 82 HD13 LEU 82 13.381 -0.942 -8.649 616 1HD2 LEU 82 HD21 LEU 82 16.043 0.419 -8.062 617 2HD2 LEU 82 HD22 LEU 82 15.691 0.882 -6.396 618 3HD2 LEU 82 HD23 LEU 82 14.462 1.078 -7.644 619 H THR 83 H THR 83 13.393 -2.576 -2.821 620 HA THR 83 HA THR 83 15.684 -4.225 -3.360 621 HB THR 83 HB THR 83 16.280 -2.996 -1.371 622 HG1 THR 83 HG1 THR 83 16.186 -5.573 -1.401 623 1HG2 THR 83 HG21 THR 83 13.683 -3.893 -0.127 624 2HG2 THR 83 HG22 THR 83 14.061 -2.254 -0.648 625 3HG2 THR 83 HG23 THR 83 14.951 -2.981 0.697 626 H MET 84 H MET 84 14.842 -6.257 -3.906 627 HA MET 84 HA MET 84 11.987 -6.522 -3.202 628 1HB MET 84 HB2 MET 84 12.706 -6.738 -5.591 629 2HB MET 84 HB1 MET 84 13.679 -8.117 -5.108 630 1HG MET 84 HG2 MET 84 11.679 -9.355 -4.517 631 2HG MET 84 HG1 MET 84 10.675 -7.962 -4.919 632 1HE MET 84 HE1 MET 84 9.181 -9.281 -6.638 633 2HE MET 84 HE2 MET 84 10.047 -10.749 -6.201 634 3HE MET 84 HE3 MET 84 9.829 -10.327 -7.899 635 H VAL 85 H VAL 85 11.931 -7.298 -1.252 636 HA VAL 85 HA VAL 85 12.845 -9.982 -0.861 637 HB VAL 85 HB VAL 85 13.591 -9.227 1.570 638 1HG1 VAL 85 HG11 VAL 85 15.097 -10.262 -0.061 639 2HG1 VAL 85 HG12 VAL 85 15.919 -8.957 0.803 640 3HG1 VAL 85 HG13 VAL 85 15.326 -8.698 -0.843 641 1HG2 VAL 85 HG21 VAL 85 14.106 -6.705 -0.017 642 2HG2 VAL 85 HG22 VAL 85 14.670 -7.013 1.626 643 3HG2 VAL 85 HG23 VAL 85 12.939 -6.864 1.298 644 H LYS 86 H LYS 86 10.818 -10.863 -0.422 645 HA LYS 86 HA LYS 86 9.549 -9.654 1.874 646 1HB LYS 86 HB2 LYS 86 8.411 -8.892 -0.357 647 2HB LYS 86 HB1 LYS 86 7.792 -10.551 -0.382 648 1HG LYS 86 HG2 LYS 86 6.137 -9.107 0.455 649 2HG LYS 86 HG1 LYS 86 6.697 -10.161 1.751 650 1HD LYS 86 HD2 LYS 86 7.911 -8.458 2.801 651 2HD LYS 86 HD1 LYS 86 7.961 -7.486 1.339 652 1HE LYS 86 HE2 LYS 86 5.769 -6.651 1.682 653 2HE LYS 86 HE1 LYS 86 5.361 -7.937 2.836 654 1HZ LYS 86 HZ1 LYS 86 7.358 -5.798 3.124 655 2HZ LYS 86 HZ2 LYS 86 7.058 -7.006 4.246 656 3HZ LYS 86 HZ3 LYS 86 5.868 -5.867 3.962 657 H ARG 87 H ARG 87 9.208 -11.181 3.297 658 HA ARG 87 HA ARG 87 9.724 -13.810 2.214 659 1HB ARG 87 HB2 ARG 87 10.413 -12.688 4.931 660 2HB ARG 87 HB1 ARG 87 10.609 -14.380 4.499 661 1HG ARG 87 HG2 ARG 87 12.772 -13.461 4.162 662 2HG ARG 87 HG1 ARG 87 12.044 -13.539 2.557 663 1HD ARG 87 HD2 ARG 87 13.188 -11.429 2.770 664 2HD ARG 87 HD1 ARG 87 11.451 -11.143 2.726 665 HE ARG 87 HE ARG 87 12.548 -11.353 5.362 666 1HH1 ARG 87 HH11 ARG 87 11.717 -9.004 2.752 667 2HH1 ARG 87 HH12 ARG 87 11.887 -7.668 3.739 668 1HH2 ARG 87 HH21 ARG 87 12.753 -9.430 6.683 669 2HH2 ARG 87 HH22 ARG 87 12.494 -7.884 5.982 670 H ASN 88 H ASN 88 8.717 -15.603 2.960 671 HA ASN 88 HA ASN 88 7.058 -16.945 3.653 672 1HB ASN 88 HB2 ASN 88 7.280 -15.955 5.889 673 2HB ASN 88 HB1 ASN 88 6.176 -14.663 5.434 674 1HD2 ASN 88 HD21 ASN 88 4.632 -15.094 6.900 675 2HD2 ASN 88 HD22 ASN 88 3.678 -16.531 6.940 676 H ASN 89 H ASN 89 5.769 -13.714 3.236 677 HA ASN 89 HA ASN 89 3.167 -14.511 2.414 678 1HB ASN 89 HB2 ASN 89 4.537 -11.888 1.767 679 2HB ASN 89 HB1 ASN 89 2.811 -12.199 1.746 680 1HD2 ASN 89 HD21 ASN 89 5.601 -11.526 3.691 681 2HD2 ASN 89 HD22 ASN 89 4.745 -11.281 5.164 682 H GLN 90 H GLN 90 5.393 -12.668 0.320 683 HA GLN 90 HA GLN 90 5.520 -14.589 -1.737 684 1HB GLN 90 HB2 GLN 90 4.349 -13.381 -3.436 685 2HB GLN 90 HB1 GLN 90 3.226 -13.577 -2.081 686 1HG GLN 90 HG2 GLN 90 4.771 -11.096 -2.582 687 2HG GLN 90 HG1 GLN 90 3.182 -11.365 -3.316 688 1HE2 GLN 90 HE21 GLN 90 4.981 -10.520 -0.545 689 2HE2 GLN 90 HE22 GLN 90 3.603 -10.173 0.465 690 H THR 91 H THR 91 6.852 -13.518 -3.506 691 HA THR 91 HA THR 91 8.511 -11.559 -2.209 692 HB THR 91 HB THR 91 9.991 -12.139 -4.360 693 HG1 THR 91 HG1 THR 91 9.283 -14.726 -3.968 694 1HG2 THR 91 HG21 THR 91 11.176 -13.788 -2.926 695 2HG2 THR 91 HG22 THR 91 9.787 -13.825 -1.840 696 3HG2 THR 91 HG23 THR 91 10.718 -12.355 -2.015 697 H ILE 92 H ILE 92 8.248 -9.630 -2.528 698 HA ILE 92 HA ILE 92 7.423 -8.516 -5.003 699 HB ILE 92 HB ILE 92 5.914 -6.919 -3.689 700 1HG1 ILE 92 HG12 ILE 92 4.812 -8.232 -1.715 701 2HG1 ILE 92 HG11 ILE 92 6.367 -9.028 -1.701 702 1HG2 ILE 92 HG21 ILE 92 4.978 -8.457 -5.231 703 2HG2 ILE 92 HG22 ILE 92 3.978 -8.428 -3.771 704 3HG2 ILE 92 HG23 ILE 92 5.085 -9.773 -4.065 705 1HD1 ILE 92 HD11 ILE 92 6.075 -6.050 -1.527 706 2HD1 ILE 92 HD12 ILE 92 7.554 -6.992 -1.390 707 3HD1 ILE 92 HD13 ILE 92 6.308 -7.132 -0.160 708 H PHE 93 H PHE 93 7.719 -6.039 -4.958 709 HA PHE 93 HA PHE 93 10.525 -5.751 -4.202 710 1HB PHE 93 HB2 PHE 93 8.558 -4.109 -5.765 711 2HB PHE 93 HB1 PHE 93 10.191 -3.576 -5.517 712 HD1 PHE 93 HD1 PHE 93 7.951 -5.837 -7.281 713 HD2 PHE 93 HD2 PHE 93 11.987 -4.667 -6.693 714 HE1 PHE 93 HE1 PHE 93 8.568 -6.965 -9.377 715 HE2 PHE 93 HE2 PHE 93 12.629 -5.794 -8.793 716 HZ PHE 93 HZ PHE 93 10.914 -6.943 -10.138 717 H GLU 94 H GLU 94 11.020 -4.714 -2.296 718 HA GLU 94 HA GLU 94 9.002 -3.082 -1.071 719 1HB GLU 94 HB2 GLU 94 11.669 -3.991 0.076 720 2HB GLU 94 HB1 GLU 94 10.322 -3.261 0.932 721 1HG GLU 94 HG2 GLU 94 9.070 -5.349 0.001 722 2HG GLU 94 HG1 GLU 94 10.700 -6.039 0.055 723 H GLN 95 H GLN 95 9.358 -0.988 -0.782 724 HA GLN 95 HA GLN 95 11.731 0.114 -2.125 725 1HB GLN 95 HB2 GLN 95 9.402 0.286 -3.241 726 2HB GLN 95 HB1 GLN 95 9.039 1.456 -1.977 727 1HG GLN 95 HG2 GLN 95 10.783 2.876 -2.696 728 2HG GLN 95 HG1 GLN 95 11.380 1.661 -3.819 729 1HE2 GLN 95 HE21 GLN 95 9.062 4.121 -3.201 730 2HE2 GLN 95 HE22 GLN 95 8.433 4.179 -4.810 731 H THR 96 H THR 96 13.067 0.990 -0.660 732 HA THR 96 HA THR 96 11.946 2.146 1.809 733 HB THR 96 HB THR 96 14.785 1.786 1.908 734 HG1 THR 96 HG1 THR 96 14.115 -0.740 1.907 735 1HG2 THR 96 HG21 THR 96 12.521 0.386 3.346 736 2HG2 THR 96 HG22 THR 96 13.257 1.886 3.841 737 3HG2 THR 96 HG23 THR 96 14.205 0.391 3.850 738 H ILE 97 H ILE 97 13.065 4.064 2.655 739 HA ILE 97 HA ILE 97 14.126 5.763 0.494 740 HB ILE 97 HB ILE 97 13.176 6.704 3.215 741 1HG1 ILE 97 HG12 ILE 97 11.465 6.653 0.782 742 2HG1 ILE 97 HG11 ILE 97 11.505 5.243 1.830 743 1HG2 ILE 97 HG21 ILE 97 12.891 8.762 2.034 744 2HG2 ILE 97 HG22 ILE 97 13.147 7.973 0.473 745 3HG2 ILE 97 HG23 ILE 97 14.489 8.154 1.597 746 1HD1 ILE 97 HD11 ILE 97 9.669 6.415 2.477 747 2HD1 ILE 97 HD12 ILE 97 10.421 7.975 2.298 748 3HD1 ILE 97 HD13 ILE 97 10.859 6.914 3.676 749 H ASN 98 H ASN 98 15.892 7.041 1.028 750 HA ASN 98 HA ASN 98 17.739 5.749 2.882 751 1HB ASN 98 HB2 ASN 98 19.413 7.219 1.604 752 2HB ASN 98 HB1 ASN 98 18.654 5.910 0.694 753 1HD2 ASN 98 HD21 ASN 98 17.215 9.076 1.517 754 2HD2 ASN 98 HD22 ASN 98 17.046 9.607 -0.078 755 H ASP 99 H ASP 99 15.534 7.973 3.260 756 HA ASP 99 HA ASP 99 17.164 9.743 4.961 757 1HB ASP 99 HB2 ASP 99 17.027 10.623 2.621 758 2HB ASP 99 HB1 ASP 99 15.315 10.797 2.872 759 H LEU 100 H LEU 100 13.955 9.410 3.551 760 HA LEU 100 HA LEU 100 12.550 10.538 5.799 761 1HB LEU 100 HB2 LEU 100 11.423 9.108 3.389 762 2HB LEU 100 HB1 LEU 100 10.665 10.282 4.430 763 HG LEU 100 HG LEU 100 13.063 11.186 2.949 764 1HD1 LEU 100 HD11 LEU 100 11.510 11.773 1.058 765 2HD1 LEU 100 HD12 LEU 100 10.383 10.567 1.717 766 3HD1 LEU 100 HD13 LEU 100 11.982 10.099 1.154 767 1HD2 LEU 100 HD21 LEU 100 10.391 12.391 3.530 768 2HD2 LEU 100 HD22 LEU 100 11.776 13.202 2.831 769 3HD2 LEU 100 HD23 LEU 100 11.841 12.633 4.519 770 H THR 101 H THR 101 14.065 7.870 5.752 771 HA THR 101 HA THR 101 12.490 5.639 6.170 772 HB THR 101 HB THR 101 15.046 6.319 7.589 773 HG1 THR 101 HG1 THR 101 14.883 5.433 4.915 774 1HG2 THR 101 HG21 THR 101 15.603 3.980 7.051 775 2HG2 THR 101 HG22 THR 101 14.077 3.801 6.197 776 3HG2 THR 101 HG23 THR 101 14.084 4.061 7.946 777 H PHE 102 H PHE 102 13.319 8.367 8.192 778 HA PHE 102 HA PHE 102 11.871 7.247 10.471 779 1HB PHE 102 HB2 PHE 102 14.444 8.842 10.592 780 2HB PHE 102 HB1 PHE 102 13.507 8.313 11.987 781 HD1 PHE 102 HD1 PHE 102 16.026 7.425 9.577 782 HD2 PHE 102 HD2 PHE 102 13.288 5.857 12.420 783 HE1 PHE 102 HE1 PHE 102 17.277 5.311 9.604 784 HE2 PHE 102 HE2 PHE 102 14.537 3.734 12.456 785 HZ PHE 102 HZ PHE 102 16.530 3.463 11.044 Start of MODEL 13 1 HA MET 1 HA MET 1 -10.728 5.699 -36.404 2 1HB MET 1 HB2 MET 1 -11.913 7.760 -35.943 3 2HB MET 1 HB1 MET 1 -13.145 6.901 -35.041 4 1HG MET 1 HG2 MET 1 -11.616 8.101 -33.563 5 2HG MET 1 HG1 MET 1 -11.541 6.365 -33.297 6 1HE MET 1 HE1 MET 1 -9.768 9.507 -34.777 7 2HE MET 1 HE2 MET 1 -9.868 8.484 -36.216 8 3HE MET 1 HE3 MET 1 -8.304 8.829 -35.481 9 H ALA 2 H ALA 2 -9.831 4.183 -35.215 10 HA ALA 2 HA ALA 2 -11.524 2.576 -33.458 11 1HB ALA 2 HB1 ALA 2 -10.518 1.207 -35.186 12 2HB ALA 2 HB2 ALA 2 -9.732 0.858 -33.643 13 3HB ALA 2 HB3 ALA 2 -8.930 1.874 -34.838 14 H HIS 3 H HIS 3 -11.284 3.326 -31.457 15 HA HIS 3 HA HIS 3 -8.712 3.720 -30.279 16 1HB HIS 3 HB2 HIS 3 -9.147 5.834 -31.659 17 2HB HIS 3 HB1 HIS 3 -10.537 6.127 -30.631 18 HD1 HIS 3 HD1 HIS 3 -10.075 7.314 -28.393 19 HD2 HIS 3 HD2 HIS 3 -6.644 6.081 -30.388 20 HE1 HIS 3 HE1 HIS 3 -8.142 8.336 -27.154 21 H HIS 4 H HIS 4 -9.128 4.287 -27.916 22 HA HIS 4 HA HIS 4 -11.655 3.222 -27.057 23 1HB HIS 4 HB2 HIS 4 -9.392 4.488 -25.459 24 2HB HIS 4 HB1 HIS 4 -10.815 3.748 -24.748 25 HD1 HIS 4 HD1 HIS 4 -7.486 2.933 -24.948 26 HD2 HIS 4 HD2 HIS 4 -10.902 0.895 -26.152 27 HE1 HIS 4 HE1 HIS 4 -6.852 0.505 -25.065 28 H HIS 5 H HIS 5 -13.241 4.502 -27.683 29 HA HIS 5 HA HIS 5 -13.026 7.318 -27.829 30 1HB HIS 5 HB2 HIS 5 -15.517 5.607 -28.009 31 2HB HIS 5 HB1 HIS 5 -15.406 7.303 -28.451 32 HD1 HIS 5 HD1 HIS 5 -15.766 4.377 -30.229 33 HD2 HIS 5 HD2 HIS 5 -12.847 7.340 -30.362 34 HE1 HIS 5 HE1 HIS 5 -14.690 4.195 -32.473 35 H HIS 6 H HIS 6 -14.106 5.176 -25.369 36 HA HIS 6 HA HIS 6 -15.234 7.402 -23.849 37 1HB HIS 6 HB2 HIS 6 -14.950 4.490 -23.022 38 2HB HIS 6 HB1 HIS 6 -15.837 5.731 -22.159 39 HD1 HIS 6 HD1 HIS 6 -18.167 6.436 -23.174 40 HD2 HIS 6 HD2 HIS 6 -16.228 3.376 -25.185 41 HE1 HIS 6 HE1 HIS 6 -19.887 5.384 -24.684 42 H HIS 7 H HIS 7 -12.663 5.048 -23.781 43 HA HIS 7 HA HIS 7 -10.653 4.941 -22.866 44 1HB HIS 7 HB2 HIS 7 -10.245 7.117 -23.946 45 2HB HIS 7 HB1 HIS 7 -10.916 7.951 -22.557 46 HD1 HIS 7 HD1 HIS 7 -9.263 8.631 -20.793 47 HD2 HIS 7 HD2 HIS 7 -7.732 5.762 -23.375 48 HE1 HIS 7 HE1 HIS 7 -6.817 8.456 -20.252 49 H HIS 8 H HIS 8 -11.538 3.684 -21.271 50 HA HIS 8 HA HIS 8 -12.323 4.848 -18.746 51 1HB HIS 8 HB2 HIS 8 -12.210 2.000 -19.729 52 2HB HIS 8 HB1 HIS 8 -12.657 2.436 -18.086 53 HD1 HIS 8 HD1 HIS 8 -14.229 1.598 -21.165 54 HD2 HIS 8 HD2 HIS 8 -14.914 4.423 -18.201 55 HE1 HIS 8 HE1 HIS 8 -16.627 2.292 -21.402 56 H ASN 9 H ASN 9 -9.560 4.942 -19.781 57 HA ASN 9 HA ASN 9 -7.963 3.438 -17.937 58 1HB ASN 9 HB2 ASN 9 -6.963 4.162 -20.025 59 2HB ASN 9 HB1 ASN 9 -7.341 5.838 -19.668 60 1HD2 ASN 9 HD21 ASN 9 -5.291 6.592 -19.719 61 2HD2 ASN 9 HD22 ASN 9 -4.071 6.156 -18.591 62 H GLN 10 H GLN 10 -8.215 3.826 -15.873 63 HA GLN 10 HA GLN 10 -8.271 6.607 -14.949 64 1HB GLN 10 HB2 GLN 10 -9.908 4.327 -13.817 65 2HB GLN 10 HB1 GLN 10 -9.902 5.989 -13.250 66 1HG GLN 10 HG2 GLN 10 -10.879 6.704 -15.377 67 2HG GLN 10 HG1 GLN 10 -10.900 5.030 -15.922 68 1HE2 GLN 10 HE21 GLN 10 -13.050 6.868 -15.594 69 2HE2 GLN 10 HE22 GLN 10 -14.187 6.186 -14.502 70 H GLN 11 H GLN 11 -7.587 6.737 -12.699 71 HA GLN 11 HA GLN 11 -5.673 4.636 -11.982 72 1HB GLN 11 HB2 GLN 11 -6.004 7.471 -10.951 73 2HB GLN 11 HB1 GLN 11 -4.808 6.324 -10.372 74 1HG GLN 11 HG2 GLN 11 -3.768 6.286 -12.579 75 2HG GLN 11 HG1 GLN 11 -4.976 7.427 -13.167 76 1HE2 GLN 11 HE21 GLN 11 -2.056 7.632 -12.951 77 2HE2 GLN 11 HE22 GLN 11 -1.758 9.071 -12.042 78 H ASN 12 H ASN 12 -8.750 5.178 -11.664 79 HA ASN 12 HA ASN 12 -10.418 4.658 -10.276 80 1HB ASN 12 HB2 ASN 12 -8.185 3.115 -8.953 81 2HB ASN 12 HB1 ASN 12 -9.790 3.114 -8.244 82 1HD2 ASN 12 HD21 ASN 12 -11.463 2.073 -9.329 83 2HD2 ASN 12 HD22 ASN 12 -11.188 0.963 -10.617 84 H LYS 13 H LYS 13 -10.124 4.497 -7.237 85 HA LYS 13 HA LYS 13 -10.406 7.289 -6.830 86 1HB LYS 13 HB2 LYS 13 -10.774 6.776 -4.492 87 2HB LYS 13 HB1 LYS 13 -11.651 5.648 -5.496 88 1HG LYS 13 HG2 LYS 13 -9.969 3.928 -5.105 89 2HG LYS 13 HG1 LYS 13 -9.023 5.061 -4.156 90 1HD LYS 13 HD2 LYS 13 -11.854 4.388 -3.392 91 2HD LYS 13 HD1 LYS 13 -10.511 3.357 -2.916 92 1HE LYS 13 HE2 LYS 13 -11.003 4.828 -1.089 93 2HE LYS 13 HE1 LYS 13 -9.476 5.330 -1.789 94 1HZ LYS 13 HZ1 LYS 13 -10.721 7.164 -2.916 95 2HZ LYS 13 HZ2 LYS 13 -10.747 7.208 -1.267 96 3HZ LYS 13 HZ3 LYS 13 -12.116 6.675 -2.078 97 H LYS 14 H LYS 14 -7.679 5.547 -7.245 98 HA LYS 14 HA LYS 14 -5.481 5.867 -7.005 99 1HB LYS 14 HB2 LYS 14 -6.567 8.499 -7.054 100 2HB LYS 14 HB1 LYS 14 -5.359 8.491 -5.785 101 1HG LYS 14 HG2 LYS 14 -4.905 7.715 -8.673 102 2HG LYS 14 HG1 LYS 14 -4.409 9.225 -7.913 103 1HD LYS 14 HD2 LYS 14 -2.935 7.985 -6.402 104 2HD LYS 14 HD1 LYS 14 -3.443 6.466 -7.126 105 1HE LYS 14 HE2 LYS 14 -1.336 7.084 -7.980 106 2HE LYS 14 HE1 LYS 14 -2.511 7.246 -9.294 107 1HZ LYS 14 HZ1 LYS 14 -2.535 9.723 -8.643 108 2HZ LYS 14 HZ2 LYS 14 -1.145 9.177 -9.383 109 3HZ LYS 14 HZ3 LYS 14 -1.162 9.375 -7.720 110 H VAL 15 H VAL 15 -3.979 7.209 -5.032 111 HA VAL 15 HA VAL 15 -4.805 5.726 -2.692 112 HB VAL 15 HB VAL 15 -2.573 5.187 -3.976 113 1HG1 VAL 15 HG11 VAL 15 -1.766 7.681 -2.633 114 2HG1 VAL 15 HG12 VAL 15 -1.689 7.294 -4.357 115 3HG1 VAL 15 HG13 VAL 15 -0.623 6.455 -3.196 116 1HG2 VAL 15 HG21 VAL 15 -3.108 4.207 -1.848 117 2HG2 VAL 15 HG22 VAL 15 -2.564 5.671 -1.020 118 3HG2 VAL 15 HG23 VAL 15 -1.399 4.665 -1.884 119 H GLU 16 H GLU 16 -5.388 7.018 -0.982 120 HA GLU 16 HA GLU 16 -5.147 9.855 -1.477 121 1HB GLU 16 HB2 GLU 16 -6.687 8.436 0.670 122 2HB GLU 16 HB1 GLU 16 -6.770 10.153 0.279 123 1HG GLU 16 HG2 GLU 16 -7.536 9.552 -1.964 124 2HG GLU 16 HG1 GLU 16 -7.510 7.864 -1.457 125 H GLY 17 H GLY 17 -5.233 8.512 1.770 126 1HA GLY 17 HA2 GLY 17 -2.485 9.398 2.099 127 2HA GLY 17 HA1 GLY 17 -3.751 10.107 3.125 128 H GLY 18 H GLY 18 -4.207 6.945 2.244 129 1HA GLY 18 HA2 GLY 18 -2.964 6.091 4.753 130 2HA GLY 18 HA1 GLY 18 -4.555 5.484 4.308 131 H TYR 19 H TYR 19 -3.703 3.385 4.496 132 HA TYR 19 HA TYR 19 -1.806 2.607 2.372 133 1HB TYR 19 HB2 TYR 19 -2.615 1.010 4.782 134 2HB TYR 19 HB1 TYR 19 -1.223 0.784 3.729 135 HD1 TYR 19 HD1 TYR 19 0.311 3.043 3.629 136 HD2 TYR 19 HD2 TYR 19 -2.154 1.817 6.865 137 HE1 TYR 19 HE1 TYR 19 1.640 4.430 5.162 138 HE2 TYR 19 HE2 TYR 19 -0.881 3.159 8.389 139 HH TYR 19 HH TYR 19 1.449 4.165 8.507 140 H GLU 20 H GLU 20 -2.609 1.944 0.725 141 HA GLU 20 HA GLU 20 -5.198 0.638 0.715 142 1HB GLU 20 HB2 GLU 20 -4.769 2.323 -1.021 143 2HB GLU 20 HB1 GLU 20 -3.304 1.472 -1.496 144 1HG GLU 20 HG2 GLU 20 -4.851 -0.538 -1.917 145 2HG GLU 20 HG1 GLU 20 -6.152 0.651 -1.891 146 H CYS 21 H CYS 21 -5.259 -1.422 0.486 147 HA CYS 21 HA CYS 21 -2.879 -3.067 0.475 148 1HB CYS 21 HB2 CYS 21 -5.739 -3.913 0.128 149 2HB CYS 21 HB1 CYS 21 -4.375 -4.983 0.398 150 H LYS 22 H LYS 22 -2.128 -4.313 -1.105 151 HA LYS 22 HA LYS 22 -2.589 -3.886 -3.842 152 1HB LYS 22 HB2 LYS 22 -0.475 -4.727 -3.162 153 2HB LYS 22 HB1 LYS 22 -1.194 -6.037 -2.243 154 1HG LYS 22 HG2 LYS 22 -0.090 -6.859 -4.236 155 2HG LYS 22 HG1 LYS 22 -1.828 -7.138 -4.329 156 1HD LYS 22 HD2 LYS 22 -1.967 -5.011 -5.645 157 2HD LYS 22 HD1 LYS 22 -0.197 -5.046 -5.705 158 1HE LYS 22 HE2 LYS 22 -0.250 -7.196 -6.816 159 2HE LYS 22 HE1 LYS 22 -2.003 -7.264 -6.653 160 1HZ LYS 22 HZ1 LYS 22 -2.174 -5.357 -8.144 161 2HZ LYS 22 HZ2 LYS 22 -1.338 -6.621 -8.861 162 3HZ LYS 22 HZ3 LYS 22 -0.486 -5.297 -8.290 163 H TYR 23 H TYR 23 -4.269 -5.711 -1.521 164 HA TYR 23 HA TYR 23 -5.581 -7.286 -3.581 165 1HB TYR 23 HB2 TYR 23 -5.881 -8.751 -1.215 166 2HB TYR 23 HB1 TYR 23 -4.841 -9.133 -2.577 167 HD1 TYR 23 HD1 TYR 23 -4.956 -7.943 0.861 168 HD2 TYR 23 HD2 TYR 23 -2.421 -8.550 -2.482 169 HE1 TYR 23 HE1 TYR 23 -2.989 -7.742 2.329 170 HE2 TYR 23 HE2 TYR 23 -0.441 -8.359 -1.027 171 HH TYR 23 HH TYR 23 -0.645 -8.453 2.363 172 H CYS 24 H CYS 24 -6.278 -4.648 -1.936 173 HA CYS 24 HA CYS 24 -9.018 -5.053 -2.283 174 1HB CYS 24 HB2 CYS 24 -9.869 -4.805 -0.021 175 2HB CYS 24 HB1 CYS 24 -8.733 -6.152 -0.072 176 H THR 25 H THR 25 -10.154 -3.060 -2.234 177 HA THR 25 HA THR 25 -8.384 -0.787 -2.476 178 HB THR 25 HB THR 25 -11.389 -0.963 -3.011 179 HG1 THR 25 HG1 THR 25 -10.221 -2.335 -4.386 180 1HG2 THR 25 HG21 THR 25 -9.346 1.058 -3.981 181 2HG2 THR 25 HG22 THR 25 -10.526 1.337 -2.704 182 3HG2 THR 25 HG23 THR 25 -11.075 1.058 -4.357 183 H PHE 26 H PHE 26 -9.778 -2.238 0.038 184 HA PHE 26 HA PHE 26 -10.784 0.004 1.497 185 1HB PHE 26 HB2 PHE 26 -9.871 -2.723 2.459 186 2HB PHE 26 HB1 PHE 26 -10.587 -1.501 3.500 187 HD1 PHE 26 HD1 PHE 26 -11.232 -4.337 1.540 188 HD2 PHE 26 HD2 PHE 26 -12.922 -0.608 2.702 189 HE1 PHE 26 HE1 PHE 26 -13.479 -5.185 0.995 190 HE2 PHE 26 HE2 PHE 26 -15.166 -1.452 2.158 191 HZ PHE 26 HZ PHE 26 -15.446 -3.740 1.306 192 H GLN 27 H GLN 27 -9.515 1.617 1.890 193 HA GLN 27 HA GLN 27 -6.737 1.128 2.615 194 1HB GLN 27 HB2 GLN 27 -6.659 2.411 0.675 195 2HB GLN 27 HB1 GLN 27 -8.091 3.343 1.116 196 1HG GLN 27 HG2 GLN 27 -6.811 4.542 2.791 197 2HG GLN 27 HG1 GLN 27 -5.446 3.478 2.471 198 1HE2 GLN 27 HE21 GLN 27 -4.151 3.963 1.029 199 2HE2 GLN 27 HE22 GLN 27 -4.116 5.325 -0.033 200 H THR 28 H THR 28 -5.932 1.966 4.391 201 HA THR 28 HA THR 28 -7.457 3.860 5.916 202 HB THR 28 HB THR 28 -8.311 1.800 6.861 203 HG1 THR 28 HG1 THR 28 -8.133 2.996 8.575 204 1HG2 THR 28 HG21 THR 28 -5.433 1.006 7.369 205 2HG2 THR 28 HG22 THR 28 -6.489 0.286 6.161 206 3HG2 THR 28 HG23 THR 28 -6.853 0.101 7.875 207 HA PRO 29 HA PRO 29 -3.233 5.268 6.480 208 1HB PRO 29 HB2 PRO 29 -3.828 7.374 8.091 209 2HB PRO 29 HB1 PRO 29 -4.059 7.384 6.333 210 1HG PRO 29 HG2 PRO 29 -6.072 6.877 8.491 211 2HG PRO 29 HG1 PRO 29 -6.211 7.898 7.048 212 1HD PRO 29 HD2 PRO 29 -7.272 5.427 7.138 213 2HD PRO 29 HD1 PRO 29 -6.555 6.072 5.638 214 H ASP 30 H ASP 30 -5.239 3.872 8.734 215 HA ASP 30 HA ASP 30 -3.356 4.143 10.931 216 1HB ASP 30 HB2 ASP 30 -5.953 2.602 10.700 217 2HB ASP 30 HB1 ASP 30 -4.963 2.678 12.152 218 H LEU 31 H LEU 31 -1.605 2.906 10.674 219 HA LEU 31 HA LEU 31 -1.296 0.730 9.027 220 1HB LEU 31 HB2 LEU 31 0.355 2.208 10.433 221 2HB LEU 31 HB1 LEU 31 0.186 0.938 11.620 222 HG LEU 31 HG LEU 31 2.209 0.564 10.362 223 1HD1 LEU 31 HD11 LEU 31 1.830 -1.655 9.423 224 2HD1 LEU 31 HD12 LEU 31 0.088 -1.303 9.448 225 3HD1 LEU 31 HD13 LEU 31 0.976 -1.440 10.968 226 1HD2 LEU 31 HD21 LEU 31 1.582 1.848 8.413 227 2HD2 LEU 31 HD22 LEU 31 0.486 0.569 7.914 228 3HD2 LEU 31 HD23 LEU 31 2.232 0.265 7.964 229 H ASN 32 H ASN 32 -2.251 0.937 12.442 230 HA ASN 32 HA ASN 32 -2.290 -1.707 13.181 231 1HB ASN 32 HB2 ASN 32 -2.794 0.234 14.727 232 2HB ASN 32 HB1 ASN 32 -4.320 0.376 13.845 233 1HD2 ASN 32 HD21 ASN 32 -3.172 -2.808 14.475 234 2HD2 ASN 32 HD22 ASN 32 -4.356 -3.098 15.667 235 H MET 33 H MET 33 -4.809 0.223 11.680 236 HA MET 33 HA MET 33 -6.662 -1.935 11.610 237 1HB MET 33 HB2 MET 33 -6.746 0.665 10.086 238 2HB MET 33 HB1 MET 33 -8.090 -0.451 10.276 239 1HG MET 33 HG2 MET 33 -6.670 1.021 12.422 240 2HG MET 33 HG1 MET 33 -8.262 1.452 11.780 241 1HE MET 33 HE1 MET 33 -9.535 -1.529 11.438 242 2HE MET 33 HE2 MET 33 -10.425 -0.153 12.092 243 3HE MET 33 HE3 MET 33 -10.392 -1.679 12.973 244 H PHE 34 H PHE 34 -4.338 -0.550 9.478 245 HA PHE 34 HA PHE 34 -5.136 -1.810 7.109 246 1HB PHE 34 HB2 PHE 34 -3.555 -0.018 6.941 247 2HB PHE 34 HB1 PHE 34 -2.433 -0.791 8.026 248 HD1 PHE 34 HD1 PHE 34 -0.741 -2.159 7.199 249 HD2 PHE 34 HD2 PHE 34 -4.030 -1.183 4.676 250 HE1 PHE 34 HE1 PHE 34 0.407 -3.216 5.290 251 HE2 PHE 34 HE2 PHE 34 -2.888 -2.231 2.772 252 HZ PHE 34 HZ PHE 34 -0.671 -3.254 3.076 253 H THR 35 H THR 35 -2.662 -2.757 9.446 254 HA THR 35 HA THR 35 -2.284 -5.222 8.066 255 HB THR 35 HB THR 35 -0.355 -4.241 9.207 256 HG1 THR 35 HG1 THR 35 -0.962 -6.725 9.238 257 1HG2 THR 35 HG21 THR 35 -1.867 -4.779 11.766 258 2HG2 THR 35 HG22 THR 35 -1.437 -3.200 11.097 259 3HG2 THR 35 HG23 THR 35 -0.174 -4.282 11.678 260 H PHE 36 H PHE 36 -4.291 -4.178 10.655 261 HA PHE 36 HA PHE 36 -4.942 -6.735 11.640 262 1HB PHE 36 HB2 PHE 36 -5.455 -5.012 13.111 263 2HB PHE 36 HB1 PHE 36 -6.200 -4.020 11.871 264 HD1 PHE 36 HD1 PHE 36 -6.672 -7.388 13.420 265 HD2 PHE 36 HD2 PHE 36 -8.469 -3.812 12.005 266 HE1 PHE 36 HE1 PHE 36 -8.886 -8.217 14.126 267 HE2 PHE 36 HE2 PHE 36 -10.681 -4.635 12.699 268 HZ PHE 36 HZ PHE 36 -10.884 -6.845 13.758 269 H HIS 37 H HIS 37 -6.608 -4.589 9.308 270 HA HIS 37 HA HIS 37 -8.564 -6.571 8.863 271 1HB HIS 37 HB2 HIS 37 -9.613 -5.128 7.328 272 2HB HIS 37 HB1 HIS 37 -8.724 -4.011 8.354 273 HD1 HIS 37 HD1 HIS 37 -7.162 -2.420 7.165 274 HD2 HIS 37 HD2 HIS 37 -8.435 -5.548 4.759 275 HE1 HIS 37 HE1 HIS 37 -6.390 -1.847 4.823 276 H VAL 38 H VAL 38 -5.449 -5.977 7.556 277 HA VAL 38 HA VAL 38 -5.689 -7.708 5.323 278 HB VAL 38 HB VAL 38 -3.284 -6.797 6.897 279 1HG1 VAL 38 HG11 VAL 38 -2.801 -9.002 5.937 280 2HG1 VAL 38 HG12 VAL 38 -1.874 -7.762 5.083 281 3HG1 VAL 38 HG13 VAL 38 -3.329 -8.448 4.350 282 1HG2 VAL 38 HG21 VAL 38 -2.757 -5.519 4.861 283 2HG2 VAL 38 HG22 VAL 38 -4.323 -5.087 5.547 284 3HG2 VAL 38 HG23 VAL 38 -4.242 -6.116 4.119 285 H ASP 39 H ASP 39 -4.360 -8.175 8.580 286 HA ASP 39 HA ASP 39 -3.723 -10.886 8.304 287 1HB ASP 39 HB2 ASP 39 -2.904 -9.369 10.084 288 2HB ASP 39 HB1 ASP 39 -4.508 -9.371 10.795 289 H SER 40 H SER 40 -6.650 -9.276 8.974 290 HA SER 40 HA SER 40 -8.045 -11.614 9.898 291 1HB SER 40 HB2 SER 40 -8.607 -9.416 10.792 292 2HB SER 40 HB1 SER 40 -9.026 -8.854 9.183 293 HG SER 40 HG SER 40 -10.791 -10.167 9.146 294 H GLU 41 H GLU 41 -8.070 -9.626 6.946 295 HA GLU 41 HA GLU 41 -10.166 -11.406 5.904 296 1HB GLU 41 HB2 GLU 41 -9.249 -8.774 4.753 297 2HB GLU 41 HB1 GLU 41 -10.660 -9.698 4.274 298 1HG GLU 41 HG2 GLU 41 -10.243 -8.364 6.941 299 2HG GLU 41 HG1 GLU 41 -11.276 -7.782 5.640 300 H HIS 42 H HIS 42 -6.884 -10.292 5.121 301 HA HIS 42 HA HIS 42 -6.728 -12.352 3.133 302 1HB HIS 42 HB2 HIS 42 -5.148 -10.329 2.102 303 2HB HIS 42 HB1 HIS 42 -6.702 -10.810 1.434 304 HD1 HIS 42 HD1 HIS 42 -8.761 -9.167 2.134 305 HD2 HIS 42 HD2 HIS 42 -4.973 -7.773 3.138 306 HE1 HIS 42 HE1 HIS 42 -9.050 -6.738 2.599 307 HA PRO 43 HA PRO 43 -3.364 -12.148 6.387 308 1HB PRO 43 HB2 PRO 43 -3.377 -14.825 6.988 309 2HB PRO 43 HB1 PRO 43 -4.370 -13.618 7.809 310 1HG PRO 43 HG2 PRO 43 -5.116 -15.515 5.627 311 2HG PRO 43 HG1 PRO 43 -6.047 -15.030 7.055 312 1HD PRO 43 HD2 PRO 43 -6.526 -14.014 4.598 313 2HD PRO 43 HD1 PRO 43 -6.748 -13.070 6.086 314 H ASN 44 H ASN 44 -3.565 -15.179 4.516 315 HA ASN 44 HA ASN 44 -0.814 -14.678 3.657 316 1HB ASN 44 HB2 ASN 44 -1.155 -16.843 4.828 317 2HB ASN 44 HB1 ASN 44 -2.393 -17.274 3.655 318 1HD2 ASN 44 HD21 ASN 44 1.017 -16.960 4.228 319 2HD2 ASN 44 HD22 ASN 44 1.545 -17.748 2.801 320 H VAL 45 H VAL 45 -0.559 -14.017 1.669 321 HA VAL 45 HA VAL 45 -2.330 -14.855 -0.414 322 HB VAL 45 HB VAL 45 -3.439 -12.826 0.473 323 1HG1 VAL 45 HG11 VAL 45 -1.631 -11.807 1.611 324 2HG1 VAL 45 HG12 VAL 45 -2.419 -10.670 0.534 325 3HG1 VAL 45 HG13 VAL 45 -0.858 -11.372 0.084 326 1HG2 VAL 45 HG21 VAL 45 -3.541 -13.135 -1.936 327 2HG2 VAL 45 HG22 VAL 45 -2.038 -12.224 -2.132 328 3HG2 VAL 45 HG23 VAL 45 -3.485 -11.421 -1.522 329 H VAL 46 H VAL 46 -1.250 -14.745 -2.433 330 HA VAL 46 HA VAL 46 1.586 -14.106 -2.169 331 HB VAL 46 HB VAL 46 0.477 -16.551 -3.580 332 1HG1 VAL 46 HG11 VAL 46 2.821 -17.199 -3.925 333 2HG1 VAL 46 HG12 VAL 46 3.340 -15.664 -3.232 334 3HG1 VAL 46 HG13 VAL 46 2.430 -15.685 -4.743 335 1HG2 VAL 46 HG21 VAL 46 2.142 -16.349 -1.065 336 2HG2 VAL 46 HG22 VAL 46 1.663 -17.848 -1.862 337 3HG2 VAL 46 HG23 VAL 46 0.441 -16.801 -1.144 338 H LEU 47 H LEU 47 2.053 -12.565 -3.454 339 HA LEU 47 HA LEU 47 0.966 -12.437 -6.191 340 1HB LEU 47 HB2 LEU 47 2.238 -10.237 -4.509 341 2HB LEU 47 HB1 LEU 47 1.787 -10.063 -6.181 342 HG LEU 47 HG LEU 47 0.192 -8.928 -4.868 343 1HD1 LEU 47 HD11 LEU 47 -0.718 -10.059 -6.764 344 2HD1 LEU 47 HD12 LEU 47 -1.886 -9.996 -5.446 345 3HD1 LEU 47 HD13 LEU 47 -1.027 -11.499 -5.791 346 1HD2 LEU 47 HD21 LEU 47 0.521 -9.951 -2.710 347 2HD2 LEU 47 HD22 LEU 47 -0.162 -11.467 -3.296 348 3HD2 LEU 47 HD23 LEU 47 -1.190 -10.044 -3.140 349 H ASN 48 H ASN 48 2.739 -11.345 -7.639 350 HA ASN 48 HA ASN 48 5.345 -12.519 -6.909 351 1HB ASN 48 HB2 ASN 48 4.276 -13.858 -8.664 352 2HB ASN 48 HB1 ASN 48 4.130 -12.427 -9.667 353 1HD2 ASN 48 HD21 ASN 48 6.333 -14.709 -8.286 354 2HD2 ASN 48 HD22 ASN 48 7.665 -14.399 -9.341 355 H SER 49 H SER 49 3.683 -9.861 -8.484 356 HA SER 49 HA SER 49 6.137 -8.349 -8.179 357 1HB SER 49 HB2 SER 49 4.541 -8.440 -10.739 358 2HB SER 49 HB1 SER 49 5.941 -7.406 -10.439 359 HG SER 49 HG SER 49 6.588 -9.861 -9.783 360 H SER 50 H SER 50 5.312 -7.130 -6.529 361 HA SER 50 HA SER 50 3.463 -5.102 -7.327 362 1HB SER 50 HB2 SER 50 3.214 -6.757 -4.807 363 2HB SER 50 HB1 SER 50 2.225 -5.373 -5.272 364 HG SER 50 HG SER 50 2.226 -7.090 -7.271 365 H TYR 51 H TYR 51 3.606 -3.389 -5.533 366 HA TYR 51 HA TYR 51 6.356 -3.307 -4.565 367 1HB TYR 51 HB2 TYR 51 4.709 -1.363 -6.032 368 2HB TYR 51 HB1 TYR 51 5.693 -0.734 -4.726 369 HD1 TYR 51 HD1 TYR 51 6.362 -3.334 -7.361 370 HD2 TYR 51 HD2 TYR 51 7.493 0.362 -5.591 371 HE1 TYR 51 HE1 TYR 51 8.296 -3.211 -8.874 372 HE2 TYR 51 HE2 TYR 51 9.447 0.482 -7.091 373 HH TYR 51 HH TYR 51 9.773 -1.564 -9.789 374 H VAL 52 H VAL 52 6.718 -2.689 -2.569 375 HA VAL 52 HA VAL 52 4.446 -1.852 -0.912 376 HB VAL 52 HB VAL 52 4.934 -4.270 -0.571 377 1HG1 VAL 52 HG11 VAL 52 6.952 -4.980 0.474 378 2HG1 VAL 52 HG12 VAL 52 7.602 -3.342 0.355 379 3HG1 VAL 52 HG13 VAL 52 7.247 -4.273 -1.112 380 1HG2 VAL 52 HG21 VAL 52 5.715 -2.598 1.789 381 2HG2 VAL 52 HG22 VAL 52 5.231 -4.295 1.834 382 3HG2 VAL 52 HG23 VAL 52 4.078 -3.064 1.324 383 H CYS 53 H CYS 53 4.882 -0.250 0.482 384 HA CYS 53 HA CYS 53 7.513 1.048 0.443 385 1HB CYS 53 HB2 CYS 53 5.585 2.467 0.570 386 2HB CYS 53 HB1 CYS 53 4.929 1.595 1.941 387 H VAL 54 H VAL 54 8.973 -0.234 1.433 388 HA VAL 54 HA VAL 54 8.508 -2.140 3.372 389 HB VAL 54 HB VAL 54 11.008 -0.757 3.786 390 1HG1 VAL 54 HG11 VAL 54 10.325 -3.361 2.701 391 2HG1 VAL 54 HG12 VAL 54 10.502 -3.016 4.446 392 3HG1 VAL 54 HG13 VAL 54 11.899 -2.907 3.325 393 1HG2 VAL 54 HG21 VAL 54 11.887 -1.535 1.519 394 2HG2 VAL 54 HG22 VAL 54 11.016 -0.022 1.659 395 3HG2 VAL 54 HG23 VAL 54 10.190 -1.403 1.001 396 H GLU 55 H GLU 55 9.088 1.226 3.597 397 HA GLU 55 HA GLU 55 9.774 1.553 6.237 398 1HB GLU 55 HB2 GLU 55 8.066 3.460 4.652 399 2HB GLU 55 HB1 GLU 55 9.166 3.855 5.965 400 1HG GLU 55 HG2 GLU 55 9.992 2.811 3.259 401 2HG GLU 55 HG1 GLU 55 10.056 4.488 3.773 402 H CYS 56 H CYS 56 6.695 1.379 4.656 403 HA CYS 56 HA CYS 56 5.304 1.571 7.284 404 1HB CYS 56 HB2 CYS 56 4.041 1.514 4.562 405 2HB CYS 56 HB1 CYS 56 3.347 2.140 6.061 406 H ASN 57 H ASN 57 6.333 -0.601 4.996 407 HA ASN 57 HA ASN 57 5.664 -2.348 3.973 408 1HB ASN 57 HB2 ASN 57 5.770 -3.111 6.785 409 2HB ASN 57 HB1 ASN 57 4.943 -4.279 5.734 410 1HD2 ASN 57 HD21 ASN 57 6.473 -3.815 3.394 411 2HD2 ASN 57 HD22 ASN 57 8.029 -4.461 3.647 412 H PHE 58 H PHE 58 4.123 -1.103 3.039 413 HA PHE 58 HA PHE 58 1.544 -2.422 3.344 414 1HB PHE 58 HB2 PHE 58 0.358 -0.479 3.476 415 2HB PHE 58 HB1 PHE 58 1.878 0.211 4.010 416 HD1 PHE 58 HD1 PHE 58 -0.489 -0.085 1.271 417 HD2 PHE 58 HD2 PHE 58 3.072 1.790 2.580 418 HE1 PHE 58 HE1 PHE 58 -0.697 1.585 -0.556 419 HE2 PHE 58 HE2 PHE 58 2.884 3.440 0.717 420 HZ PHE 58 HZ PHE 58 1.008 3.323 -0.827 421 H LEU 59 H LEU 59 0.887 -3.343 1.587 422 HA LEU 59 HA LEU 59 2.446 -3.027 -0.842 423 1HB LEU 59 HB2 LEU 59 0.798 -5.197 0.306 424 2HB LEU 59 HB1 LEU 59 0.743 -5.015 -1.436 425 HG LEU 59 HG LEU 59 3.348 -5.349 0.044 426 1HD1 LEU 59 HD11 LEU 59 3.182 -7.699 -0.572 427 2HD1 LEU 59 HD12 LEU 59 1.616 -7.387 -1.330 428 3HD1 LEU 59 HD13 LEU 59 1.785 -7.262 0.427 429 1HD2 LEU 59 HD21 LEU 59 3.472 -4.409 -2.214 430 2HD2 LEU 59 HD22 LEU 59 2.465 -5.717 -2.817 431 3HD2 LEU 59 HD23 LEU 59 4.070 -6.069 -2.207 432 H THR 60 H THR 60 1.496 -2.163 -2.617 433 HA THR 60 HA THR 60 -1.364 -1.588 -2.457 434 HB THR 60 HB THR 60 -0.391 0.464 -1.967 435 HG1 THR 60 HG1 THR 60 -1.943 0.723 -3.690 436 1HG2 THR 60 HG21 THR 60 1.510 1.489 -3.104 437 2HG2 THR 60 HG22 THR 60 1.595 0.138 -4.222 438 3HG2 THR 60 HG23 THR 60 1.942 -0.106 -2.513 439 H LYS 61 H LYS 61 -2.330 -1.121 -4.600 440 HA LYS 61 HA LYS 61 -1.254 -3.073 -6.455 441 1HB LYS 61 HB2 LYS 61 -3.615 -2.911 -7.480 442 2HB LYS 61 HB1 LYS 61 -3.410 -3.768 -5.972 443 1HG LYS 61 HG2 LYS 61 -4.191 -1.715 -4.788 444 2HG LYS 61 HG1 LYS 61 -4.553 -1.016 -6.372 445 1HD LYS 61 HD2 LYS 61 -6.119 -2.750 -6.863 446 2HD LYS 61 HD1 LYS 61 -5.629 -3.668 -5.443 447 1HE LYS 61 HE2 LYS 61 -7.768 -2.565 -5.070 448 2HE LYS 61 HE1 LYS 61 -6.533 -1.926 -3.993 449 1HZ LYS 61 HZ1 LYS 61 -6.415 0.057 -5.217 450 2HZ LYS 61 HZ2 LYS 61 -8.067 -0.296 -5.098 451 3HZ LYS 61 HZ3 LYS 61 -7.253 -0.607 -6.532 452 H ARG 62 H ARG 62 -0.413 -0.249 -6.211 453 HA ARG 62 HA ARG 62 -0.183 0.114 -9.071 454 1HB ARG 62 HB2 ARG 62 -0.690 2.541 -8.958 455 2HB ARG 62 HB1 ARG 62 -2.093 1.579 -8.534 456 1HG ARG 62 HG2 ARG 62 -1.728 2.038 -6.190 457 2HG ARG 62 HG1 ARG 62 -0.247 2.910 -6.574 458 1HD ARG 62 HD2 ARG 62 -2.138 4.431 -6.156 459 2HD ARG 62 HD1 ARG 62 -1.520 4.584 -7.795 460 HE ARG 62 HE ARG 62 -3.475 3.890 -8.605 461 1HH1 ARG 62 HH11 ARG 62 -3.364 2.934 -5.188 462 2HH1 ARG 62 HH12 ARG 62 -4.962 2.445 -5.115 463 1HH2 ARG 62 HH21 ARG 62 -5.754 3.313 -8.452 464 2HH2 ARG 62 HH22 ARG 62 -6.362 2.678 -6.996 465 H TYR 63 H TYR 63 1.779 1.155 -9.604 466 HA TYR 63 HA TYR 63 3.691 1.050 -7.453 467 1HB TYR 63 HB2 TYR 63 5.419 1.572 -9.191 468 2HB TYR 63 HB1 TYR 63 4.462 0.152 -9.567 469 HD1 TYR 63 HD1 TYR 63 4.887 3.761 -10.399 470 HD2 TYR 63 HD2 TYR 63 3.318 0.000 -11.638 471 HE1 TYR 63 HE1 TYR 63 4.430 4.691 -12.618 472 HE2 TYR 63 HE2 TYR 63 2.850 0.931 -13.866 473 HH TYR 63 HH TYR 63 4.120 3.927 -14.872 474 H ASP 64 H ASP 64 1.713 3.305 -8.793 475 HA ASP 64 HA ASP 64 3.178 5.724 -8.532 476 1HB ASP 64 HB2 ASP 64 0.206 5.399 -8.154 477 2HB ASP 64 HB1 ASP 64 1.055 6.897 -8.479 478 H ALA 65 H ALA 65 1.319 3.872 -6.240 479 HA ALA 65 HA ALA 65 0.993 5.944 -4.394 480 1HB ALA 65 HB1 ALA 65 0.455 4.105 -2.794 481 2HB ALA 65 HB2 ALA 65 0.882 2.968 -4.099 482 3HB ALA 65 HB3 ALA 65 -0.450 4.092 -4.301 483 H LEU 66 H LEU 66 3.606 3.806 -5.008 484 HA LEU 66 HA LEU 66 4.990 4.307 -2.528 485 1HB LEU 66 HB2 LEU 66 6.046 3.175 -5.088 486 2HB LEU 66 HB1 LEU 66 6.868 3.128 -3.547 487 HG LEU 66 HG LEU 66 6.077 0.987 -3.831 488 1HD1 LEU 66 HD11 LEU 66 3.957 2.349 -2.210 489 2HD1 LEU 66 HD12 LEU 66 5.538 1.803 -1.630 490 3HD1 LEU 66 HD13 LEU 66 4.338 0.626 -2.171 491 1HD2 LEU 66 HD21 LEU 66 4.695 1.380 -5.751 492 2HD2 LEU 66 HD22 LEU 66 3.450 2.122 -4.747 493 3HD2 LEU 66 HD23 LEU 66 3.815 0.405 -4.575 494 H SER 67 H SER 67 4.894 5.544 -5.736 495 HA SER 67 HA SER 67 7.382 7.002 -5.743 496 1HB SER 67 HB2 SER 67 4.922 6.796 -7.334 497 2HB SER 67 HB1 SER 67 6.087 8.045 -7.755 498 HG SER 67 HG SER 67 6.134 5.215 -7.960 499 H GLU 68 H GLU 68 4.011 7.772 -5.409 500 HA GLU 68 HA GLU 68 4.501 10.518 -4.812 501 1HB GLU 68 HB2 GLU 68 1.900 9.322 -4.051 502 2HB GLU 68 HB1 GLU 68 2.302 10.833 -4.855 503 1HG GLU 68 HG2 GLU 68 2.967 9.440 -6.862 504 2HG GLU 68 HG1 GLU 68 2.232 8.125 -6.033 505 H HIS 69 H HIS 69 4.447 7.651 -3.115 506 HA HIS 69 HA HIS 69 3.477 8.189 -0.601 507 1HB HIS 69 HB2 HIS 69 4.544 6.058 -1.514 508 2HB HIS 69 HB1 HIS 69 6.057 6.754 -0.912 509 HD1 HIS 69 HD1 HIS 69 2.683 5.613 0.369 510 HD2 HIS 69 HD2 HIS 69 6.525 6.400 1.632 511 HE1 HIS 69 HE1 HIS 69 2.764 4.850 2.772 512 H ASN 70 H ASN 70 6.930 8.692 -1.471 513 HA ASN 70 HA ASN 70 7.495 10.212 0.886 514 1HB ASN 70 HB2 ASN 70 9.651 10.713 -0.255 515 2HB ASN 70 HB1 ASN 70 9.302 9.002 -0.106 516 1HD2 ASN 70 HD21 ASN 70 11.078 10.056 -1.772 517 2HD2 ASN 70 HD22 ASN 70 10.582 9.736 -3.430 518 H LEU 71 H LEU 71 5.975 11.007 -1.862 519 HA LEU 71 HA LEU 71 6.602 13.816 -1.797 520 1HB LEU 71 HB2 LEU 71 6.036 13.166 -3.939 521 2HB LEU 71 HB1 LEU 71 4.856 12.006 -3.395 522 HG LEU 71 HG LEU 71 3.254 13.759 -3.018 523 1HD1 LEU 71 HD11 LEU 71 3.709 16.086 -3.828 524 2HD1 LEU 71 HD12 LEU 71 5.379 15.625 -4.158 525 3HD1 LEU 71 HD13 LEU 71 4.784 15.647 -2.499 526 1HD2 LEU 71 HD21 LEU 71 2.862 14.375 -5.361 527 2HD2 LEU 71 HD22 LEU 71 3.316 12.681 -5.167 528 3HD2 LEU 71 HD23 LEU 71 4.498 13.851 -5.754 529 H LYS 72 H LYS 72 3.826 11.796 -0.922 530 HA LYS 72 HA LYS 72 2.736 14.096 0.521 531 1HB LYS 72 HB2 LYS 72 0.624 12.377 0.325 532 2HB LYS 72 HB1 LYS 72 0.891 13.758 -0.754 533 1HG LYS 72 HG2 LYS 72 2.214 12.067 -2.149 534 2HG LYS 72 HG1 LYS 72 1.488 10.825 -1.168 535 1HD LYS 72 HD2 LYS 72 0.077 12.825 -2.905 536 2HD LYS 72 HD1 LYS 72 0.243 11.094 -3.196 537 1HE LYS 72 HE2 LYS 72 -1.066 10.731 -1.071 538 2HE LYS 72 HE1 LYS 72 -1.336 12.463 -1.030 539 1HZ LYS 72 HZ1 LYS 72 -2.242 10.639 -3.205 540 2HZ LYS 72 HZ2 LYS 72 -2.418 12.303 -3.211 541 3HZ LYS 72 HZ3 LYS 72 -3.209 11.390 -2.054 542 H TYR 73 H TYR 73 3.373 10.763 0.886 543 HA TYR 73 HA TYR 73 2.237 10.604 3.549 544 1HB TYR 73 HB2 TYR 73 3.737 8.642 1.860 545 2HB TYR 73 HB1 TYR 73 3.099 8.229 3.456 546 HD1 TYR 73 HD1 TYR 73 1.094 7.038 3.409 547 HD2 TYR 73 HD2 TYR 73 1.917 9.741 0.240 548 HE1 TYR 73 HE1 TYR 73 -1.005 6.376 2.257 549 HE2 TYR 73 HE2 TYR 73 -0.127 9.085 -0.871 550 HH TYR 73 HH TYR 73 -2.523 7.448 0.703 551 H HIS 74 H HIS 74 5.512 10.099 2.113 552 HA HIS 74 HA HIS 74 6.652 10.853 4.756 553 1HB HIS 74 HB2 HIS 74 7.860 9.102 2.597 554 2HB HIS 74 HB1 HIS 74 8.711 9.585 4.052 555 HD1 HIS 74 HD1 HIS 74 6.245 8.749 6.046 556 HD2 HIS 74 HD2 HIS 74 7.944 6.485 3.005 557 HE1 HIS 74 HE1 HIS 74 5.686 6.372 6.573 558 HA PRO 75 HA PRO 75 7.794 14.023 1.531 559 1HB PRO 75 HB2 PRO 75 7.054 16.225 2.849 560 2HB PRO 75 HB1 PRO 75 5.868 15.210 2.010 561 1HG PRO 75 HG2 PRO 75 6.600 15.200 4.931 562 2HG PRO 75 HG1 PRO 75 4.979 15.227 4.199 563 1HD PRO 75 HD2 PRO 75 6.128 12.939 5.086 564 2HD PRO 75 HD1 PRO 75 5.055 13.010 3.672 565 H GLY 76 H GLY 76 9.527 15.344 1.401 566 1HA GLY 76 HA2 GLY 76 10.915 16.832 3.115 567 2HA GLY 76 HA1 GLY 76 11.449 15.223 3.586 568 H GLU 77 H GLU 77 11.488 14.013 1.075 569 HA GLU 77 HA GLU 77 13.107 15.433 -0.788 570 1HB GLU 77 HB2 GLU 77 15.097 13.988 -0.521 571 2HB GLU 77 HB1 GLU 77 14.843 14.997 0.894 572 1HG GLU 77 HG2 GLU 77 14.937 13.176 2.159 573 2HG GLU 77 HG1 GLU 77 13.483 12.581 1.346 574 H GLU 78 H GLU 78 13.890 13.627 -2.436 575 HA GLU 78 HA GLU 78 11.808 11.574 -2.403 576 1HB GLU 78 HB2 GLU 78 11.120 13.466 -3.847 577 2HB GLU 78 HB1 GLU 78 12.618 13.196 -4.750 578 1HG GLU 78 HG2 GLU 78 11.843 10.958 -5.351 579 2HG GLU 78 HG1 GLU 78 10.333 11.254 -4.488 580 H ASN 79 H ASN 79 13.361 10.038 -1.843 581 HA ASN 79 HA ASN 79 14.965 9.117 -4.086 582 1HB ASN 79 HB2 ASN 79 16.022 9.677 -1.330 583 2HB ASN 79 HB1 ASN 79 16.939 8.773 -2.549 584 1HD2 ASN 79 HD21 ASN 79 15.704 11.811 -1.545 585 2HD2 ASN 79 HD22 ASN 79 16.511 12.845 -2.676 586 H PHE 80 H PHE 80 13.620 7.410 -4.240 587 HA PHE 80 HA PHE 80 13.429 5.633 -1.932 588 1HB PHE 80 HB2 PHE 80 11.605 6.337 -4.088 589 2HB PHE 80 HB1 PHE 80 11.822 4.604 -3.922 590 HD1 PHE 80 HD1 PHE 80 10.025 7.414 -2.799 591 HD2 PHE 80 HD2 PHE 80 11.552 3.691 -1.496 592 HE1 PHE 80 HE1 PHE 80 8.299 7.322 -1.021 593 HE2 PHE 80 HE2 PHE 80 9.837 3.581 0.237 594 HZ PHE 80 HZ PHE 80 8.198 5.395 0.475 595 H LYS 81 H LYS 81 14.148 3.584 -2.071 596 HA LYS 81 HA LYS 81 15.830 2.908 -4.376 597 1HB LYS 81 HB2 LYS 81 17.368 1.999 -2.886 598 2HB LYS 81 HB1 LYS 81 16.572 3.170 -1.830 599 1HG LYS 81 HG2 LYS 81 15.193 1.516 -0.862 600 2HG LYS 81 HG1 LYS 81 15.735 0.307 -2.017 601 1HD LYS 81 HD2 LYS 81 18.067 0.707 -1.067 602 2HD LYS 81 HD1 LYS 81 17.223 1.544 0.250 603 1HE LYS 81 HE2 LYS 81 15.847 -0.445 0.619 604 2HE LYS 81 HE1 LYS 81 16.726 -1.251 -0.676 605 1HZ LYS 81 HZ1 LYS 81 17.513 -1.836 1.590 606 2HZ LYS 81 HZ2 LYS 81 18.010 -0.237 1.814 607 3HZ LYS 81 HZ3 LYS 81 18.718 -1.179 0.614 608 H LEU 82 H LEU 82 15.944 0.392 -4.640 609 HA LEU 82 HA LEU 82 13.301 -0.718 -4.136 610 1HB LEU 82 HB2 LEU 82 13.391 -1.903 -6.293 611 2HB LEU 82 HB1 LEU 82 13.346 -0.166 -6.500 612 HG LEU 82 HG LEU 82 15.929 -1.704 -6.656 613 1HD1 LEU 82 HD11 LEU 82 14.373 -2.667 -8.302 614 2HD1 LEU 82 HD12 LEU 82 15.612 -1.713 -9.116 615 3HD1 LEU 82 HD13 LEU 82 13.990 -1.052 -8.893 616 1HD2 LEU 82 HD21 LEU 82 15.037 0.917 -7.843 617 2HD2 LEU 82 HD22 LEU 82 16.646 0.201 -7.992 618 3HD2 LEU 82 HD23 LEU 82 16.060 0.739 -6.420 619 H THR 83 H THR 83 13.304 -2.664 -3.284 620 HA THR 83 HA THR 83 15.641 -4.338 -3.482 621 HB THR 83 HB THR 83 16.170 -3.091 -1.485 622 HG1 THR 83 HG1 THR 83 15.346 -5.020 0.085 623 1HG2 THR 83 HG21 THR 83 13.877 -2.214 -1.041 624 2HG2 THR 83 HG22 THR 83 14.708 -2.779 0.400 625 3HG2 THR 83 HG23 THR 83 13.469 -3.789 -0.347 626 H MET 84 H MET 84 14.811 -6.444 -3.914 627 HA MET 84 HA MET 84 11.923 -6.678 -3.304 628 1HB MET 84 HB2 MET 84 12.730 -7.100 -5.640 629 2HB MET 84 HB1 MET 84 13.731 -8.383 -4.995 630 1HG MET 84 HG2 MET 84 11.719 -9.626 -4.336 631 2HG MET 84 HG1 MET 84 10.716 -8.341 -5.021 632 1HE MET 84 HE1 MET 84 9.420 -9.988 -6.641 633 2HE MET 84 HE2 MET 84 10.312 -11.371 -6.004 634 3HE MET 84 HE3 MET 84 10.212 -11.110 -7.742 635 H VAL 85 H VAL 85 11.882 -7.297 -1.223 636 HA VAL 85 HA VAL 85 12.689 -9.997 -0.731 637 HB VAL 85 HB VAL 85 13.393 -9.184 1.697 638 1HG1 VAL 85 HG11 VAL 85 14.805 -10.469 0.212 639 2HG1 VAL 85 HG12 VAL 85 15.744 -9.185 0.987 640 3HG1 VAL 85 HG13 VAL 85 15.215 -9.009 -0.695 641 1HG2 VAL 85 HG21 VAL 85 12.967 -6.800 1.262 642 2HG2 VAL 85 HG22 VAL 85 14.179 -6.817 -0.014 643 3HG2 VAL 85 HG23 VAL 85 14.664 -7.082 1.664 644 H LYS 86 H LYS 86 10.685 -10.775 -0.334 645 HA LYS 86 HA LYS 86 9.504 -9.532 1.976 646 1HB LYS 86 HB2 LYS 86 8.361 -8.795 -0.245 647 2HB LYS 86 HB1 LYS 86 7.749 -10.438 -0.257 648 1HG LYS 86 HG2 LYS 86 6.080 -9.105 0.558 649 2HG LYS 86 HG1 LYS 86 6.705 -10.000 1.954 650 1HD LYS 86 HD2 LYS 86 7.794 -8.071 2.819 651 2HD LYS 86 HD1 LYS 86 7.709 -7.226 1.280 652 1HE LYS 86 HE2 LYS 86 6.055 -6.173 2.661 653 2HE LYS 86 HE1 LYS 86 5.215 -7.234 1.549 654 1HZ LYS 86 HZ1 LYS 86 4.914 -8.859 3.276 655 2HZ LYS 86 HZ2 LYS 86 4.359 -7.381 3.808 656 3HZ LYS 86 HZ3 LYS 86 5.837 -7.953 4.352 657 H ARG 87 H ARG 87 9.593 -11.029 3.348 658 HA ARG 87 HA ARG 87 9.556 -13.797 2.418 659 1HB ARG 87 HB2 ARG 87 10.764 -12.546 4.908 660 2HB ARG 87 HB1 ARG 87 10.992 -14.232 4.369 661 1HG ARG 87 HG2 ARG 87 11.736 -11.807 2.835 662 2HG ARG 87 HG1 ARG 87 12.809 -12.490 4.077 663 1HD ARG 87 HD2 ARG 87 11.705 -13.864 1.677 664 2HD ARG 87 HD1 ARG 87 13.233 -12.973 1.830 665 HE ARG 87 HE ARG 87 12.817 -15.156 3.696 666 1HH1 ARG 87 HH11 ARG 87 14.409 -14.082 0.710 667 2HH1 ARG 87 HH12 ARG 87 15.609 -15.271 0.749 668 1HH2 ARG 87 HH21 ARG 87 14.518 -16.820 3.739 669 2HH2 ARG 87 HH22 ARG 87 15.669 -16.830 2.490 670 H ASN 88 H ASN 88 8.310 -15.242 3.688 671 HA ASN 88 HA ASN 88 6.733 -16.011 5.079 672 1HB ASN 88 HB2 ASN 88 7.490 -14.606 6.931 673 2HB ASN 88 HB1 ASN 88 6.665 -13.210 6.261 674 1HD2 ASN 88 HD21 ASN 88 6.281 -16.247 7.912 675 2HD2 ASN 88 HD22 ASN 88 4.698 -15.942 8.527 676 H ASN 89 H ASN 89 6.314 -13.869 2.689 677 HA ASN 89 HA ASN 89 3.422 -14.411 2.653 678 1HB ASN 89 HB2 ASN 89 4.592 -11.720 1.864 679 2HB ASN 89 HB1 ASN 89 2.909 -12.188 1.718 680 1HD2 ASN 89 HD21 ASN 89 5.394 -10.969 3.776 681 2HD2 ASN 89 HD22 ASN 89 4.399 -10.797 5.171 682 H GLN 90 H GLN 90 5.527 -12.565 0.478 683 HA GLN 90 HA GLN 90 5.694 -14.588 -1.510 684 1HB GLN 90 HB2 GLN 90 4.426 -13.491 -3.203 685 2HB GLN 90 HB1 GLN 90 3.386 -13.586 -1.779 686 1HG GLN 90 HG2 GLN 90 4.926 -11.136 -2.473 687 2HG GLN 90 HG1 GLN 90 3.344 -11.443 -3.176 688 1HE2 GLN 90 HE21 GLN 90 5.130 -10.508 -0.446 689 2HE2 GLN 90 HE22 GLN 90 3.750 -10.058 0.539 690 H THR 91 H THR 91 6.977 -13.580 -3.278 691 HA THR 91 HA THR 91 8.563 -11.488 -2.077 692 HB THR 91 HB THR 91 10.134 -12.027 -4.081 693 HG1 THR 91 HG1 THR 91 8.258 -13.610 -4.723 694 1HG2 THR 91 HG21 THR 91 9.782 -13.915 -1.731 695 2HG2 THR 91 HG22 THR 91 10.696 -12.428 -1.693 696 3HG2 THR 91 HG23 THR 91 11.250 -13.773 -2.690 697 H ILE 92 H ILE 92 8.159 -9.609 -2.479 698 HA ILE 92 HA ILE 92 7.387 -8.662 -5.046 699 HB ILE 92 HB ILE 92 5.889 -6.976 -3.810 700 1HG1 ILE 92 HG12 ILE 92 4.727 -8.174 -1.809 701 2HG1 ILE 92 HG11 ILE 92 6.248 -9.044 -1.755 702 1HG2 ILE 92 HG21 ILE 92 4.938 -8.550 -5.329 703 2HG2 ILE 92 HG22 ILE 92 3.926 -8.463 -3.883 704 3HG2 ILE 92 HG23 ILE 92 5.018 -9.833 -4.120 705 1HD1 ILE 92 HD11 ILE 92 7.510 -7.057 -1.471 706 2HD1 ILE 92 HD12 ILE 92 6.233 -7.097 -0.259 707 3HD1 ILE 92 HD13 ILE 92 6.083 -6.056 -1.670 708 H PHE 93 H PHE 93 7.693 -6.207 -5.167 709 HA PHE 93 HA PHE 93 10.473 -5.901 -4.351 710 1HB PHE 93 HB2 PHE 93 8.653 -4.304 -6.136 711 2HB PHE 93 HB1 PHE 93 10.340 -3.940 -5.915 712 HD1 PHE 93 HD1 PHE 93 7.878 -6.093 -7.499 713 HD2 PHE 93 HD2 PHE 93 12.013 -5.365 -6.919 714 HE1 PHE 93 HE1 PHE 93 8.379 -7.534 -9.432 715 HE2 PHE 93 HE2 PHE 93 12.541 -6.810 -8.859 716 HZ PHE 93 HZ PHE 93 10.716 -7.892 -10.115 717 H GLU 94 H GLU 94 10.932 -4.692 -2.584 718 HA GLU 94 HA GLU 94 8.876 -3.045 -1.436 719 1HB GLU 94 HB2 GLU 94 11.568 -3.866 -0.343 720 2HB GLU 94 HB1 GLU 94 10.250 -3.129 0.539 721 1HG GLU 94 HG2 GLU 94 8.967 -5.256 -0.097 722 2HG GLU 94 HG1 GLU 94 10.582 -5.921 -0.356 723 H GLN 95 H GLN 95 9.286 -0.905 -1.041 724 HA GLN 95 HA GLN 95 11.645 0.193 -2.421 725 1HB GLN 95 HB2 GLN 95 9.220 0.437 -3.442 726 2HB GLN 95 HB1 GLN 95 9.023 1.658 -2.196 727 1HG GLN 95 HG2 GLN 95 10.911 2.895 -3.088 728 2HG GLN 95 HG1 GLN 95 11.179 1.632 -4.278 729 1HE2 GLN 95 HE21 GLN 95 9.170 4.293 -3.327 730 2HE2 GLN 95 HE22 GLN 95 8.349 4.473 -4.829 731 H THR 96 H THR 96 13.005 1.028 -0.882 732 HA THR 96 HA THR 96 11.842 2.134 1.602 733 HB THR 96 HB THR 96 14.661 1.705 1.804 734 HG1 THR 96 HG1 THR 96 13.510 -0.810 1.590 735 1HG2 THR 96 HG21 THR 96 13.251 1.795 3.708 736 2HG2 THR 96 HG22 THR 96 13.910 0.155 3.650 737 3HG2 THR 96 HG23 THR 96 12.257 0.486 3.127 738 H ILE 97 H ILE 97 13.044 3.938 2.539 739 HA ILE 97 HA ILE 97 14.174 5.707 0.452 740 HB ILE 97 HB ILE 97 13.094 6.540 3.147 741 1HG1 ILE 97 HG12 ILE 97 11.505 6.568 0.614 742 2HG1 ILE 97 HG11 ILE 97 11.486 5.141 1.631 743 1HG2 ILE 97 HG21 ILE 97 13.210 7.942 0.450 744 2HG2 ILE 97 HG22 ILE 97 14.503 8.027 1.630 745 3HG2 ILE 97 HG23 ILE 97 12.925 8.677 2.037 746 1HD1 ILE 97 HD11 ILE 97 10.709 6.735 3.472 747 2HD1 ILE 97 HD12 ILE 97 9.650 6.214 2.199 748 3HD1 ILE 97 HD13 ILE 97 10.298 7.842 2.122 749 H ASN 98 H ASN 98 15.916 6.930 1.020 750 HA ASN 98 HA ASN 98 17.740 5.659 2.892 751 1HB ASN 98 HB2 ASN 98 19.438 7.110 1.850 752 2HB ASN 98 HB1 ASN 98 18.582 6.176 0.601 753 1HD2 ASN 98 HD21 ASN 98 16.363 8.398 1.070 754 2HD2 ASN 98 HD22 ASN 98 17.021 9.677 0.184 755 H ASP 99 H ASP 99 15.405 7.670 3.463 756 HA ASP 99 HA ASP 99 16.874 9.341 5.333 757 1HB ASP 99 HB2 ASP 99 16.986 10.362 3.067 758 2HB ASP 99 HB1 ASP 99 15.267 10.561 3.158 759 H LEU 100 H LEU 100 13.854 9.219 3.580 760 HA LEU 100 HA LEU 100 12.226 10.233 5.732 761 1HB LEU 100 HB2 LEU 100 11.367 8.976 3.161 762 2HB LEU 100 HB1 LEU 100 10.512 10.129 4.162 763 HG LEU 100 HG LEU 100 13.092 10.999 2.992 764 1HD1 LEU 100 HD11 LEU 100 12.104 10.028 1.073 765 2HD1 LEU 100 HD12 LEU 100 11.685 11.740 0.992 766 3HD1 LEU 100 HD13 LEU 100 10.510 10.552 1.571 767 1HD2 LEU 100 HD21 LEU 100 10.428 12.295 3.387 768 2HD2 LEU 100 HD22 LEU 100 11.926 13.086 2.914 769 3HD2 LEU 100 HD23 LEU 100 11.766 12.392 4.541 770 H THR 101 H THR 101 13.614 7.668 5.929 771 HA THR 101 HA THR 101 12.016 5.386 5.821 772 HB THR 101 HB THR 101 14.328 6.019 7.656 773 HG1 THR 101 HG1 THR 101 14.189 5.149 4.969 774 1HG2 THR 101 HG21 THR 101 13.190 3.771 7.940 775 2HG2 THR 101 HG22 THR 101 14.873 3.669 7.414 776 3HG2 THR 101 HG23 THR 101 13.586 3.444 6.242 777 H PHE 102 H PHE 102 12.195 7.957 8.124 778 HA PHE 102 HA PHE 102 11.196 6.796 10.460 779 1HB PHE 102 HB2 PHE 102 10.561 9.105 11.114 780 2HB PHE 102 HB1 PHE 102 12.209 8.981 10.524 781 HD1 PHE 102 HD1 PHE 102 12.885 10.091 8.519 782 HD2 PHE 102 HD2 PHE 102 8.827 10.238 9.766 783 HE1 PHE 102 HE1 PHE 102 12.463 11.927 6.925 784 HE2 PHE 102 HE2 PHE 102 8.390 12.056 8.167 785 HZ PHE 102 HZ PHE 102 10.216 12.904 6.744 Start of MODEL 14 1 HA MET 1 HA MET 1 -3.897 -11.328 -21.240 2 1HB MET 1 HB2 MET 1 -6.490 -10.420 -19.964 3 2HB MET 1 HB1 MET 1 -5.080 -10.887 -19.036 4 1HG MET 1 HG2 MET 1 -5.193 -8.500 -19.149 5 2HG MET 1 HG1 MET 1 -3.818 -9.047 -20.098 6 1HE MET 1 HE1 MET 1 -3.667 -6.611 -21.196 7 2HE MET 1 HE2 MET 1 -5.051 -6.109 -20.226 8 3HE MET 1 HE3 MET 1 -5.038 -5.806 -21.961 9 H ALA 2 H ALA 2 -3.517 -13.093 -19.965 10 HA ALA 2 HA ALA 2 -4.697 -15.500 -20.732 11 1HB ALA 2 HB1 ALA 2 -2.399 -15.294 -19.880 12 2HB ALA 2 HB2 ALA 2 -3.320 -16.533 -19.028 13 3HB ALA 2 HB3 ALA 2 -3.044 -14.964 -18.271 14 H HIS 3 H HIS 3 -6.717 -16.034 -20.335 15 HA HIS 3 HA HIS 3 -8.676 -16.550 -19.281 16 1HB HIS 3 HB2 HIS 3 -6.858 -16.692 -16.862 17 2HB HIS 3 HB1 HIS 3 -8.541 -17.204 -16.844 18 HD1 HIS 3 HD1 HIS 3 -8.887 -19.639 -17.350 19 HD2 HIS 3 HD2 HIS 3 -5.279 -18.210 -18.831 20 HE1 HIS 3 HE1 HIS 3 -7.670 -21.631 -18.266 21 H HIS 4 H HIS 4 -7.783 -13.802 -19.525 22 HA HIS 4 HA HIS 4 -8.305 -11.714 -19.024 23 1HB HIS 4 HB2 HIS 4 -10.739 -12.914 -17.652 24 2HB HIS 4 HB1 HIS 4 -10.533 -11.198 -17.992 25 HD1 HIS 4 HD1 HIS 4 -10.974 -10.422 -20.459 26 HD2 HIS 4 HD2 HIS 4 -11.262 -14.532 -19.872 27 HE1 HIS 4 HE1 HIS 4 -11.958 -11.364 -22.564 28 H HIS 5 H HIS 5 -6.459 -11.566 -17.883 29 HA HIS 5 HA HIS 5 -6.750 -11.401 -14.981 30 1HB HIS 5 HB2 HIS 5 -5.119 -13.106 -15.696 31 2HB HIS 5 HB1 HIS 5 -4.294 -11.918 -16.689 32 HD1 HIS 5 HD1 HIS 5 -2.050 -12.252 -15.409 33 HD2 HIS 5 HD2 HIS 5 -5.207 -11.057 -12.994 34 HE1 HIS 5 HE1 HIS 5 -1.041 -11.612 -13.215 35 H HIS 6 H HIS 6 -7.144 -9.326 -14.537 36 HA HIS 6 HA HIS 6 -5.935 -7.295 -16.236 37 1HB HIS 6 HB2 HIS 6 -7.525 -5.701 -15.239 38 2HB HIS 6 HB1 HIS 6 -8.339 -7.075 -15.954 39 HD1 HIS 6 HD1 HIS 6 -10.097 -8.162 -14.487 40 HD2 HIS 6 HD2 HIS 6 -7.412 -5.860 -12.305 41 HE1 HIS 6 HE1 HIS 6 -11.000 -8.057 -12.148 42 H HIS 7 H HIS 7 -5.188 -8.848 -13.514 43 HA HIS 7 HA HIS 7 -3.586 -8.637 -11.943 44 1HB HIS 7 HB2 HIS 7 -2.873 -6.119 -13.443 45 2HB HIS 7 HB1 HIS 7 -2.003 -6.642 -12.009 46 HD1 HIS 7 HD1 HIS 7 -0.047 -8.106 -12.453 47 HD2 HIS 7 HD2 HIS 7 -2.732 -8.061 -15.616 48 HE1 HIS 7 HE1 HIS 7 1.069 -9.368 -14.334 49 H HIS 8 H HIS 8 -4.687 -5.317 -12.400 50 HA HIS 8 HA HIS 8 -5.257 -5.236 -9.512 51 1HB HIS 8 HB2 HIS 8 -4.019 -2.996 -11.126 52 2HB HIS 8 HB1 HIS 8 -4.388 -2.969 -9.410 53 HD1 HIS 8 HD1 HIS 8 -1.697 -3.730 -11.749 54 HD2 HIS 8 HD2 HIS 8 -2.760 -4.894 -7.910 55 HE1 HIS 8 HE1 HIS 8 0.381 -4.706 -10.722 56 H ASN 9 H ASN 9 -7.171 -4.471 -9.034 57 HA ASN 9 HA ASN 9 -8.796 -3.205 -11.110 58 1HB ASN 9 HB2 ASN 9 -9.808 -5.152 -9.988 59 2HB ASN 9 HB1 ASN 9 -9.581 -4.384 -8.422 60 1HD2 ASN 9 HD21 ASN 9 -11.791 -4.480 -7.992 61 2HD2 ASN 9 HD22 ASN 9 -12.934 -3.453 -8.774 62 H GLN 10 H GLN 10 -8.775 -1.074 -11.097 63 HA GLN 10 HA GLN 10 -8.503 0.349 -8.544 64 1HB GLN 10 HB2 GLN 10 -7.473 2.189 -9.875 65 2HB GLN 10 HB1 GLN 10 -6.519 0.713 -9.916 66 1HG GLN 10 HG2 GLN 10 -7.412 0.171 -12.111 67 2HG GLN 10 HG1 GLN 10 -8.415 1.613 -12.073 68 1HE2 GLN 10 HE21 GLN 10 -6.325 3.275 -10.920 69 2HE2 GLN 10 HE22 GLN 10 -5.173 3.530 -12.175 70 H GLN 11 H GLN 11 -9.756 2.368 -8.468 71 HA GLN 11 HA GLN 11 -11.795 2.497 -10.535 72 1HB GLN 11 HB2 GLN 11 -12.712 1.157 -8.679 73 2HB GLN 11 HB1 GLN 11 -12.473 2.521 -7.595 74 1HG GLN 11 HG2 GLN 11 -14.786 2.374 -8.309 75 2HG GLN 11 HG1 GLN 11 -14.032 3.850 -8.910 76 1HE2 GLN 11 HE21 GLN 11 -15.529 4.035 -10.549 77 2HE2 GLN 11 HE22 GLN 11 -15.538 3.026 -11.947 78 H ASN 12 H ASN 12 -11.224 4.247 -7.443 79 HA ASN 12 HA ASN 12 -11.190 6.686 -9.082 80 1HB ASN 12 HB2 ASN 12 -13.468 6.486 -8.397 81 2HB ASN 12 HB1 ASN 12 -12.997 6.184 -6.733 82 1HD2 ASN 12 HD21 ASN 12 -13.309 8.613 -9.211 83 2HD2 ASN 12 HD22 ASN 12 -13.173 9.969 -8.148 84 H LYS 13 H LYS 13 -10.720 5.505 -5.755 85 HA LYS 13 HA LYS 13 -9.755 7.945 -4.781 86 1HB LYS 13 HB2 LYS 13 -9.391 5.202 -3.611 87 2HB LYS 13 HB1 LYS 13 -9.084 6.716 -2.774 88 1HG LYS 13 HG2 LYS 13 -11.474 7.318 -3.077 89 2HG LYS 13 HG1 LYS 13 -11.746 5.726 -3.791 90 1HD LYS 13 HD2 LYS 13 -10.926 4.682 -1.710 91 2HD LYS 13 HD1 LYS 13 -10.730 6.285 -1.009 92 1HE LYS 13 HE2 LYS 13 -12.790 5.333 -0.228 93 2HE LYS 13 HE1 LYS 13 -13.154 6.668 -1.316 94 1HZ LYS 13 HZ1 LYS 13 -13.639 5.094 -3.065 95 2HZ LYS 13 HZ2 LYS 13 -14.548 4.707 -1.705 96 3HZ LYS 13 HZ3 LYS 13 -13.184 3.803 -2.076 97 H LYS 14 H LYS 14 -8.027 5.523 -6.464 98 HA LYS 14 HA LYS 14 -5.851 5.320 -7.167 99 1HB LYS 14 HB2 LYS 14 -6.282 7.930 -7.451 100 2HB LYS 14 HB1 LYS 14 -5.225 8.090 -6.077 101 1HG LYS 14 HG2 LYS 14 -4.513 6.899 -8.759 102 2HG LYS 14 HG1 LYS 14 -4.064 8.491 -8.176 103 1HD LYS 14 HD2 LYS 14 -2.765 7.414 -6.375 104 2HD LYS 14 HD1 LYS 14 -3.171 5.838 -7.062 105 1HE LYS 14 HE2 LYS 14 -0.992 6.477 -7.819 106 2HE LYS 14 HE1 LYS 14 -2.098 6.556 -9.191 107 1HZ LYS 14 HZ1 LYS 14 -1.097 8.813 -7.557 108 2HZ LYS 14 HZ2 LYS 14 -2.199 9.002 -8.841 109 3HZ LYS 14 HZ3 LYS 14 -0.640 8.494 -9.137 110 H VAL 15 H VAL 15 -4.931 7.352 -4.585 111 HA VAL 15 HA VAL 15 -4.822 5.423 -2.609 112 HB VAL 15 HB VAL 15 -2.632 4.967 -4.003 113 1HG1 VAL 15 HG11 VAL 15 -1.887 7.538 -2.729 114 2HG1 VAL 15 HG12 VAL 15 -1.882 7.157 -4.460 115 3HG1 VAL 15 HG13 VAL 15 -0.730 6.361 -3.350 116 1HG2 VAL 15 HG21 VAL 15 -1.343 4.587 -1.968 117 2HG2 VAL 15 HG22 VAL 15 -3.054 4.104 -1.822 118 3HG2 VAL 15 HG23 VAL 15 -2.500 5.619 -1.116 119 H GLU 16 H GLU 16 -5.128 6.604 -0.710 120 HA GLU 16 HA GLU 16 -5.245 9.494 -1.138 121 1HB GLU 16 HB2 GLU 16 -6.351 7.848 1.108 122 2HB GLU 16 HB1 GLU 16 -6.703 9.543 0.787 123 1HG GLU 16 HG2 GLU 16 -7.817 8.919 -1.258 124 2HG GLU 16 HG1 GLU 16 -7.333 7.241 -0.983 125 H GLY 17 H GLY 17 -4.816 7.963 2.002 126 1HA GLY 17 HA2 GLY 17 -2.125 9.033 2.108 127 2HA GLY 17 HA1 GLY 17 -3.309 9.747 3.211 128 H GLY 18 H GLY 18 -3.848 6.559 2.528 129 1HA GLY 18 HA2 GLY 18 -2.469 5.790 5.001 130 2HA GLY 18 HA1 GLY 18 -4.062 5.178 4.553 131 H TYR 19 H TYR 19 -3.351 3.109 4.709 132 HA TYR 19 HA TYR 19 -1.364 2.197 2.721 133 1HB TYR 19 HB2 TYR 19 -2.485 0.684 5.053 134 2HB TYR 19 HB1 TYR 19 -1.016 0.328 4.148 135 HD1 TYR 19 HD1 TYR 19 -2.053 1.260 7.225 136 HD2 TYR 19 HD2 TYR 19 0.597 2.675 4.209 137 HE1 TYR 19 HE1 TYR 19 -0.843 2.516 8.903 138 HE2 TYR 19 HE2 TYR 19 1.844 3.947 5.913 139 HH TYR 19 HH TYR 19 1.438 4.911 8.165 140 H GLU 20 H GLU 20 -2.200 1.518 0.953 141 HA GLU 20 HA GLU 20 -4.850 0.283 1.008 142 1HB GLU 20 HB2 GLU 20 -4.498 2.126 -0.662 143 2HB GLU 20 HB1 GLU 20 -3.193 1.185 -1.375 144 1HG GLU 20 HG2 GLU 20 -5.296 -0.605 -1.314 145 2HG GLU 20 HG1 GLU 20 -6.059 0.938 -1.700 146 H CYS 21 H CYS 21 -4.868 -1.771 0.881 147 HA CYS 21 HA CYS 21 -2.551 -3.430 0.454 148 1HB CYS 21 HB2 CYS 21 -5.450 -4.202 0.206 149 2HB CYS 21 HB1 CYS 21 -4.103 -5.317 0.401 150 H LYS 22 H LYS 22 -1.842 -4.299 -1.484 151 HA LYS 22 HA LYS 22 -2.808 -3.501 -3.978 152 1HB LYS 22 HB2 LYS 22 -0.522 -4.288 -3.772 153 2HB LYS 22 HB1 LYS 22 -1.056 -5.845 -3.184 154 1HG LYS 22 HG2 LYS 22 -1.941 -5.081 -5.910 155 2HG LYS 22 HG1 LYS 22 -0.229 -5.455 -5.700 156 1HD LYS 22 HD2 LYS 22 -0.702 -7.566 -4.848 157 2HD LYS 22 HD1 LYS 22 -2.429 -7.251 -4.701 158 1HE LYS 22 HE2 LYS 22 -1.942 -8.718 -6.635 159 2HE LYS 22 HE1 LYS 22 -2.623 -7.180 -7.155 160 1HZ LYS 22 HZ1 LYS 22 -0.583 -6.465 -7.940 161 2HZ LYS 22 HZ2 LYS 22 -0.581 -8.103 -8.401 162 3HZ LYS 22 HZ3 LYS 22 0.282 -7.584 -7.045 163 H TYR 23 H TYR 23 -4.042 -5.725 -1.849 164 HA TYR 23 HA TYR 23 -5.541 -7.091 -3.907 165 1HB TYR 23 HB2 TYR 23 -5.874 -8.721 -1.780 166 2HB TYR 23 HB1 TYR 23 -4.556 -8.886 -2.933 167 HD1 TYR 23 HD1 TYR 23 -5.433 -8.168 0.528 168 HD2 TYR 23 HD2 TYR 23 -2.282 -8.007 -2.325 169 HE1 TYR 23 HE1 TYR 23 -3.787 -7.973 2.339 170 HE2 TYR 23 HE2 TYR 23 -0.636 -7.805 -0.513 171 HH TYR 23 HH TYR 23 -1.387 -8.431 2.709 172 H CYS 24 H CYS 24 -5.982 -4.494 -2.072 173 HA CYS 24 HA CYS 24 -8.739 -4.545 -2.397 174 1HB CYS 24 HB2 CYS 24 -9.599 -4.666 -0.142 175 2HB CYS 24 HB1 CYS 24 -8.567 -6.061 -0.456 176 H THR 25 H THR 25 -9.342 -2.437 -2.648 177 HA THR 25 HA THR 25 -7.431 -0.457 -1.792 178 HB THR 25 HB THR 25 -9.936 -0.021 -3.509 179 HG1 THR 25 HG1 THR 25 -7.211 -0.162 -4.254 180 1HG2 THR 25 HG21 THR 25 -9.031 2.057 -2.451 181 2HG2 THR 25 HG22 THR 25 -8.846 2.068 -4.203 182 3HG2 THR 25 HG23 THR 25 -7.460 1.713 -3.178 183 H PHE 26 H PHE 26 -9.102 -1.906 0.074 184 HA PHE 26 HA PHE 26 -10.582 0.240 1.332 185 1HB PHE 26 HB2 PHE 26 -10.011 -2.586 2.319 186 2HB PHE 26 HB1 PHE 26 -11.069 -1.421 3.110 187 HD1 PHE 26 HD1 PHE 26 -12.925 -0.423 1.438 188 HD2 PHE 26 HD2 PHE 26 -11.039 -4.211 1.080 189 HE1 PHE 26 HE1 PHE 26 -14.824 -1.235 0.106 190 HE2 PHE 26 HE2 PHE 26 -12.932 -5.034 -0.260 191 HZ PHE 26 HZ PHE 26 -14.827 -3.545 -0.748 192 H GLN 27 H GLN 27 -9.247 1.682 1.935 193 HA GLN 27 HA GLN 27 -6.623 0.908 2.924 194 1HB GLN 27 HB2 GLN 27 -6.266 2.064 0.980 195 2HB GLN 27 HB1 GLN 27 -7.652 3.108 1.227 196 1HG GLN 27 HG2 GLN 27 -6.436 4.331 2.944 197 2HG GLN 27 HG1 GLN 27 -5.097 3.194 2.732 198 1HE2 GLN 27 HE21 GLN 27 -3.710 3.590 1.331 199 2HE2 GLN 27 HE22 GLN 27 -3.681 4.861 0.146 200 H THR 28 H THR 28 -5.763 1.825 4.657 201 HA THR 28 HA THR 28 -7.244 3.787 6.125 202 HB THR 28 HB THR 28 -8.164 1.777 7.069 203 HG1 THR 28 HG1 THR 28 -7.734 3.199 8.672 204 1HG2 THR 28 HG21 THR 28 -6.789 -0.054 7.968 205 2HG2 THR 28 HG22 THR 28 -5.330 0.794 7.507 206 3HG2 THR 28 HG23 THR 28 -6.410 0.189 6.262 207 HA PRO 29 HA PRO 29 -2.927 4.935 6.788 208 1HB PRO 29 HB2 PRO 29 -3.433 7.106 8.351 209 2HB PRO 29 HB1 PRO 29 -3.577 7.105 6.583 210 1HG PRO 29 HG2 PRO 29 -5.731 6.813 8.644 211 2HG PRO 29 HG1 PRO 29 -5.724 7.792 7.167 212 1HD PRO 29 HD2 PRO 29 -6.965 5.387 7.284 213 2HD PRO 29 HD1 PRO 29 -6.159 5.947 5.800 214 H ASP 30 H ASP 30 -5.097 3.604 8.928 215 HA ASP 30 HA ASP 30 -3.285 3.773 11.196 216 1HB ASP 30 HB2 ASP 30 -5.998 2.449 10.920 217 2HB ASP 30 HB1 ASP 30 -5.040 2.466 12.390 218 H LEU 31 H LEU 31 -1.638 2.391 11.104 219 HA LEU 31 HA LEU 31 -1.355 0.192 9.492 220 1HB LEU 31 HB2 LEU 31 0.276 1.540 11.056 221 2HB LEU 31 HB1 LEU 31 -0.083 0.274 12.206 222 HG LEU 31 HG LEU 31 2.003 -0.255 11.141 223 1HD1 LEU 31 HD11 LEU 31 1.558 -2.403 10.062 224 2HD1 LEU 31 HD12 LEU 31 -0.150 -1.933 9.946 225 3HD1 LEU 31 HD13 LEU 31 0.584 -2.174 11.528 226 1HD2 LEU 31 HD21 LEU 31 1.787 1.136 9.203 227 2HD2 LEU 31 HD22 LEU 31 0.540 0.086 8.551 228 3HD2 LEU 31 HD23 LEU 31 2.203 -0.509 8.700 229 H ASN 32 H ASN 32 -2.604 0.460 12.813 230 HA ASN 32 HA ASN 32 -2.886 -2.166 13.546 231 1HB ASN 32 HB2 ASN 32 -3.411 -0.185 15.035 232 2HB ASN 32 HB1 ASN 32 -4.823 0.059 13.998 233 1HD2 ASN 32 HD21 ASN 32 -3.972 -3.175 14.776 234 2HD2 ASN 32 HD22 ASN 32 -5.316 -3.373 15.832 235 H MET 33 H MET 33 -5.107 -0.091 11.790 236 HA MET 33 HA MET 33 -7.075 -2.148 11.558 237 1HB MET 33 HB2 MET 33 -6.899 0.479 10.085 238 2HB MET 33 HB1 MET 33 -8.302 -0.579 10.141 239 1HG MET 33 HG2 MET 33 -7.000 0.738 12.447 240 2HG MET 33 HG1 MET 33 -8.479 1.322 11.668 241 1HE MET 33 HE1 MET 33 -8.296 0.775 14.812 242 2HE MET 33 HE2 MET 33 -9.807 -0.079 15.116 243 3HE MET 33 HE3 MET 33 -9.782 1.308 14.026 244 H PHE 34 H PHE 34 -4.506 -0.879 9.649 245 HA PHE 34 HA PHE 34 -5.171 -2.063 7.196 246 1HB PHE 34 HB2 PHE 34 -3.509 -0.360 7.209 247 2HB PHE 34 HB1 PHE 34 -2.515 -1.226 8.361 248 HD1 PHE 34 HD1 PHE 34 -0.788 -2.545 7.616 249 HD2 PHE 34 HD2 PHE 34 -3.912 -1.534 4.894 250 HE1 PHE 34 HE1 PHE 34 0.483 -3.582 5.768 251 HE2 PHE 34 HE2 PHE 34 -2.651 -2.564 3.057 252 HZ PHE 34 HZ PHE 34 -0.455 -3.592 3.488 253 H THR 35 H THR 35 -2.957 -3.203 9.701 254 HA THR 35 HA THR 35 -2.660 -5.687 8.332 255 HB THR 35 HB THR 35 -0.764 -4.843 9.633 256 HG1 THR 35 HG1 THR 35 -0.123 -6.739 10.299 257 1HG2 THR 35 HG21 THR 35 -1.921 -3.727 11.401 258 2HG2 THR 35 HG22 THR 35 -0.786 -4.888 12.102 259 3HG2 THR 35 HG23 THR 35 -2.521 -5.257 12.048 260 H PHE 36 H PHE 36 -4.802 -4.484 10.771 261 HA PHE 36 HA PHE 36 -5.677 -6.985 11.715 262 1HB PHE 36 HB2 PHE 36 -6.138 -5.188 13.126 263 2HB PHE 36 HB1 PHE 36 -6.832 -4.209 11.851 264 HD1 PHE 36 HD1 PHE 36 -9.118 -4.009 11.843 265 HD2 PHE 36 HD2 PHE 36 -7.385 -7.487 13.538 266 HE1 PHE 36 HE1 PHE 36 -11.359 -4.793 12.501 267 HE2 PHE 36 HE2 PHE 36 -9.624 -8.275 14.213 268 HZ PHE 36 HZ PHE 36 -11.606 -6.924 13.690 269 H HIS 37 H HIS 37 -7.049 -4.766 9.254 270 HA HIS 37 HA HIS 37 -9.136 -6.585 8.701 271 1HB HIS 37 HB2 HIS 37 -9.882 -5.113 6.992 272 2HB HIS 37 HB1 HIS 37 -9.015 -4.057 8.098 273 HD1 HIS 37 HD1 HIS 37 -7.074 -2.731 7.121 274 HD2 HIS 37 HD2 HIS 37 -8.549 -5.633 4.561 275 HE1 HIS 37 HE1 HIS 37 -6.002 -2.271 4.866 276 H VAL 38 H VAL 38 -5.887 -6.330 7.650 277 HA VAL 38 HA VAL 38 -6.082 -8.130 5.474 278 HB VAL 38 HB VAL 38 -3.748 -7.330 7.207 279 1HG1 VAL 38 HG11 VAL 38 -3.704 -9.098 4.738 280 2HG1 VAL 38 HG12 VAL 38 -3.332 -9.605 6.387 281 3HG1 VAL 38 HG13 VAL 38 -2.270 -8.466 5.554 282 1HG2 VAL 38 HG21 VAL 38 -4.548 -5.606 5.701 283 2HG2 VAL 38 HG22 VAL 38 -4.418 -6.709 4.332 284 3HG2 VAL 38 HG23 VAL 38 -2.964 -6.177 5.179 285 H ASP 39 H ASP 39 -4.960 -8.590 8.824 286 HA ASP 39 HA ASP 39 -4.608 -11.361 8.560 287 1HB ASP 39 HB2 ASP 39 -3.536 -9.996 10.304 288 2HB ASP 39 HB1 ASP 39 -5.103 -9.742 11.060 289 H SER 40 H SER 40 -7.374 -9.486 9.111 290 HA SER 40 HA SER 40 -8.937 -11.667 10.189 291 1HB SER 40 HB2 SER 40 -9.239 -9.289 10.948 292 2HB SER 40 HB1 SER 40 -9.877 -8.911 9.356 293 HG SER 40 HG SER 40 -11.012 -10.239 11.470 294 H GLU 41 H GLU 41 -8.723 -9.829 7.141 295 HA GLU 41 HA GLU 41 -10.853 -11.549 6.076 296 1HB GLU 41 HB2 GLU 41 -9.771 -8.961 4.999 297 2HB GLU 41 HB1 GLU 41 -11.076 -9.895 4.285 298 1HG GLU 41 HG2 GLU 41 -12.397 -9.595 6.324 299 2HG GLU 41 HG1 GLU 41 -11.086 -8.637 7.012 300 H HIS 42 H HIS 42 -7.570 -10.449 5.258 301 HA HIS 42 HA HIS 42 -7.348 -12.679 3.438 302 1HB HIS 42 HB2 HIS 42 -5.859 -10.881 2.190 303 2HB HIS 42 HB1 HIS 42 -7.527 -11.184 1.698 304 HD1 HIS 42 HD1 HIS 42 -9.170 -9.157 2.140 305 HD2 HIS 42 HD2 HIS 42 -5.280 -8.444 3.398 306 HE1 HIS 42 HE1 HIS 42 -9.048 -6.703 2.555 307 HA PRO 43 HA PRO 43 -3.809 -12.140 6.409 308 1HB PRO 43 HB2 PRO 43 -3.839 -14.694 7.395 309 2HB PRO 43 HB1 PRO 43 -4.722 -13.355 8.128 310 1HG PRO 43 HG2 PRO 43 -5.695 -15.515 6.325 311 2HG PRO 43 HG1 PRO 43 -6.495 -14.770 7.724 312 1HD PRO 43 HD2 PRO 43 -7.106 -14.135 5.131 313 2HD PRO 43 HD1 PRO 43 -7.252 -13.001 6.488 314 H ASN 44 H ASN 44 -4.645 -15.054 4.536 315 HA ASN 44 HA ASN 44 -1.814 -15.413 3.889 316 1HB ASN 44 HB2 ASN 44 -4.084 -17.393 3.502 317 2HB ASN 44 HB1 ASN 44 -2.376 -17.696 3.232 318 1HD2 ASN 44 HD21 ASN 44 -4.879 -17.378 5.575 319 2HD2 ASN 44 HD22 ASN 44 -3.947 -17.878 6.942 320 H VAL 45 H VAL 45 -1.578 -13.979 2.249 321 HA VAL 45 HA VAL 45 -2.965 -14.714 -0.159 322 HB VAL 45 HB VAL 45 -4.227 -12.792 0.724 323 1HG1 VAL 45 HG11 VAL 45 -1.674 -11.244 0.635 324 2HG1 VAL 45 HG12 VAL 45 -2.562 -11.742 2.075 325 3HG1 VAL 45 HG13 VAL 45 -3.281 -10.584 0.952 326 1HG2 VAL 45 HG21 VAL 45 -2.587 -12.076 -1.699 327 2HG2 VAL 45 HG22 VAL 45 -4.095 -11.294 -1.222 328 3HG2 VAL 45 HG23 VAL 45 -4.090 -12.996 -1.678 329 H VAL 46 H VAL 46 -1.601 -15.133 -1.668 330 HA VAL 46 HA VAL 46 1.118 -14.058 -1.472 331 HB VAL 46 HB VAL 46 0.224 -16.763 -2.539 332 1HG1 VAL 46 HG11 VAL 46 2.175 -15.877 -3.749 333 2HG1 VAL 46 HG12 VAL 46 2.590 -17.285 -2.774 334 3HG1 VAL 46 HG13 VAL 46 3.024 -15.675 -2.212 335 1HG2 VAL 46 HG21 VAL 46 0.110 -16.689 -0.113 336 2HG2 VAL 46 HG22 VAL 46 1.754 -16.059 -0.034 337 3HG2 VAL 46 HG23 VAL 46 1.469 -17.697 -0.618 338 H LEU 47 H LEU 47 1.359 -12.619 -2.992 339 HA LEU 47 HA LEU 47 -0.092 -12.892 -5.511 340 1HB LEU 47 HB2 LEU 47 1.402 -10.532 -4.342 341 2HB LEU 47 HB1 LEU 47 0.570 -10.516 -5.877 342 HG LEU 47 HG LEU 47 -0.838 -9.386 -4.426 343 1HD1 LEU 47 HD11 LEU 47 -2.064 -10.899 -5.774 344 2HD1 LEU 47 HD12 LEU 47 -2.842 -10.705 -4.206 345 3HD1 LEU 47 HD13 LEU 47 -1.919 -12.165 -4.553 346 1HD2 LEU 47 HD21 LEU 47 -0.486 -11.573 -2.382 347 2HD2 LEU 47 HD22 LEU 47 -1.554 -10.177 -2.216 348 3HD2 LEU 47 HD23 LEU 47 0.193 -9.947 -2.302 349 H ASN 48 H ASN 48 1.640 -11.391 -7.144 350 HA ASN 48 HA ASN 48 4.003 -13.124 -7.082 351 1HB ASN 48 HB2 ASN 48 2.464 -13.704 -8.941 352 2HB ASN 48 HB1 ASN 48 2.680 -12.085 -9.589 353 1HD2 ASN 48 HD21 ASN 48 3.631 -12.749 -11.487 354 2HD2 ASN 48 HD22 ASN 48 5.212 -13.438 -11.536 355 H SER 49 H SER 49 3.266 -10.235 -9.102 356 HA SER 49 HA SER 49 5.739 -9.101 -7.996 357 1HB SER 49 HB2 SER 49 4.612 -8.726 -10.780 358 2HB SER 49 HB1 SER 49 6.150 -8.108 -10.173 359 HG SER 49 HG SER 49 6.152 -10.665 -9.661 360 H SER 50 H SER 50 5.374 -7.290 -6.771 361 HA SER 50 HA SER 50 3.566 -5.289 -7.618 362 1HB SER 50 HB2 SER 50 3.244 -6.813 -5.029 363 2HB SER 50 HB1 SER 50 2.386 -5.338 -5.462 364 HG SER 50 HG SER 50 2.264 -7.167 -7.384 365 H TYR 51 H TYR 51 3.741 -3.487 -5.826 366 HA TYR 51 HA TYR 51 6.516 -3.352 -4.873 367 1HB TYR 51 HB2 TYR 51 4.721 -1.389 -6.178 368 2HB TYR 51 HB1 TYR 51 5.803 -0.809 -4.930 369 HD1 TYR 51 HD1 TYR 51 7.421 0.408 -5.938 370 HD2 TYR 51 HD2 TYR 51 6.343 -3.320 -7.681 371 HE1 TYR 51 HE1 TYR 51 9.210 0.669 -7.586 372 HE2 TYR 51 HE2 TYR 51 8.129 -3.060 -9.346 373 HH TYR 51 HH TYR 51 9.408 -1.221 -10.364 374 H VAL 52 H VAL 52 6.899 -2.760 -2.834 375 HA VAL 52 HA VAL 52 4.637 -1.971 -1.131 376 HB VAL 52 HB VAL 52 5.138 -4.388 -0.803 377 1HG1 VAL 52 HG11 VAL 52 7.180 -5.106 0.171 378 2HG1 VAL 52 HG12 VAL 52 7.801 -3.456 0.115 379 3HG1 VAL 52 HG13 VAL 52 7.452 -4.329 -1.387 380 1HG2 VAL 52 HG21 VAL 52 5.943 -2.719 1.561 381 2HG2 VAL 52 HG22 VAL 52 5.474 -4.419 1.610 382 3HG2 VAL 52 HG23 VAL 52 4.305 -3.198 1.114 383 H CYS 53 H CYS 53 5.057 -0.409 0.307 384 HA CYS 53 HA CYS 53 7.680 0.911 0.309 385 1HB CYS 53 HB2 CYS 53 5.731 2.324 0.437 386 2HB CYS 53 HB1 CYS 53 5.080 1.408 1.784 387 H VAL 54 H VAL 54 9.155 -0.376 1.300 388 HA VAL 54 HA VAL 54 8.726 -2.275 3.251 389 HB VAL 54 HB VAL 54 11.218 -0.899 3.717 390 1HG1 VAL 54 HG11 VAL 54 10.775 -3.233 4.214 391 2HG1 VAL 54 HG12 VAL 54 12.158 -2.988 3.108 392 3HG1 VAL 54 HG13 VAL 54 10.589 -3.470 2.460 393 1HG2 VAL 54 HG21 VAL 54 10.482 -1.471 0.884 394 2HG2 VAL 54 HG22 VAL 54 12.146 -1.484 1.444 395 3HG2 VAL 54 HG23 VAL 54 11.174 -0.016 1.577 396 H GLU 55 H GLU 55 9.182 1.113 3.496 397 HA GLU 55 HA GLU 55 9.835 1.414 6.172 398 1HB GLU 55 HB2 GLU 55 8.167 3.347 4.565 399 2HB GLU 55 HB1 GLU 55 9.218 3.715 5.921 400 1HG GLU 55 HG2 GLU 55 10.186 2.679 3.263 401 2HG GLU 55 HG1 GLU 55 10.116 4.376 3.705 402 H CYS 56 H CYS 56 6.806 1.218 4.502 403 HA CYS 56 HA CYS 56 5.324 1.426 7.082 404 1HB CYS 56 HB2 CYS 56 4.142 1.456 4.320 405 2HB CYS 56 HB1 CYS 56 3.404 2.027 5.814 406 H ASN 57 H ASN 57 6.423 -0.790 4.863 407 HA ASN 57 HA ASN 57 5.831 -2.690 3.954 408 1HB ASN 57 HB2 ASN 57 5.405 -3.069 6.826 409 2HB ASN 57 HB1 ASN 57 4.839 -4.386 5.769 410 1HD2 ASN 57 HD21 ASN 57 6.978 -4.008 3.788 411 2HD2 ASN 57 HD22 ASN 57 8.376 -4.599 4.572 412 H PHE 58 H PHE 58 4.290 -1.298 2.847 413 HA PHE 58 HA PHE 58 1.685 -2.588 3.045 414 1HB PHE 58 HB2 PHE 58 0.474 -0.665 3.123 415 2HB PHE 58 HB1 PHE 58 1.948 0.034 3.765 416 HD1 PHE 58 HD1 PHE 58 3.226 1.627 2.377 417 HD2 PHE 58 HD2 PHE 58 -0.296 -0.201 0.947 418 HE1 PHE 58 HE1 PHE 58 3.081 3.343 0.571 419 HE2 PHE 58 HE2 PHE 58 -0.483 1.542 -0.833 420 HZ PHE 58 HZ PHE 58 1.206 3.290 -1.022 421 H LEU 59 H LEU 59 1.080 -3.479 1.294 422 HA LEU 59 HA LEU 59 2.725 -3.187 -1.072 423 1HB LEU 59 HB2 LEU 59 1.123 -5.351 0.112 424 2HB LEU 59 HB1 LEU 59 0.965 -5.206 -1.622 425 HG LEU 59 HG LEU 59 3.621 -5.550 -0.238 426 1HD1 LEU 59 HD11 LEU 59 3.403 -7.879 -0.949 427 2HD1 LEU 59 HD12 LEU 59 1.811 -7.493 -1.636 428 3HD1 LEU 59 HD13 LEU 59 2.048 -7.441 0.109 429 1HD2 LEU 59 HD21 LEU 59 3.721 -4.537 -2.467 430 2HD2 LEU 59 HD22 LEU 59 2.694 -5.821 -3.092 431 3HD2 LEU 59 HD23 LEU 59 4.307 -6.199 -2.512 432 H THR 60 H THR 60 1.808 -2.233 -2.805 433 HA THR 60 HA THR 60 -1.059 -1.706 -2.633 434 HB THR 60 HB THR 60 0.130 0.177 -1.871 435 HG1 THR 60 HG1 THR 60 -1.724 0.514 -3.164 436 1HG2 THR 60 HG21 THR 60 1.693 1.476 -3.325 437 2HG2 THR 60 HG22 THR 60 1.640 0.140 -4.487 438 3HG2 THR 60 HG23 THR 60 2.257 -0.122 -2.862 439 H LYS 61 H LYS 61 -1.982 -1.000 -4.699 440 HA LYS 61 HA LYS 61 -1.448 -2.979 -6.648 441 1HB LYS 61 HB2 LYS 61 -3.282 -0.597 -6.791 442 2HB LYS 61 HB1 LYS 61 -3.281 -1.965 -7.899 443 1HG LYS 61 HG2 LYS 61 -3.801 -3.461 -6.028 444 2HG LYS 61 HG1 LYS 61 -3.829 -2.061 -4.956 445 1HD LYS 61 HD2 LYS 61 -5.698 -1.136 -6.162 446 2HD LYS 61 HD1 LYS 61 -5.649 -2.480 -7.311 447 1HE LYS 61 HE2 LYS 61 -6.057 -4.053 -5.456 448 2HE LYS 61 HE1 LYS 61 -6.140 -2.694 -4.350 449 1HZ LYS 61 HZ1 LYS 61 -7.925 -2.847 -6.682 450 2HZ LYS 61 HZ2 LYS 61 -8.119 -1.957 -5.258 451 3HZ LYS 61 HZ3 LYS 61 -8.300 -3.638 -5.253 452 H ARG 62 H ARG 62 -1.183 0.558 -6.883 453 HA ARG 62 HA ARG 62 0.305 0.039 -9.337 454 1HB ARG 62 HB2 ARG 62 -0.297 2.132 -10.232 455 2HB ARG 62 HB1 ARG 62 -1.746 1.561 -9.436 456 1HG ARG 62 HG2 ARG 62 0.173 3.584 -8.320 457 2HG ARG 62 HG1 ARG 62 -1.338 3.992 -9.123 458 1HD ARG 62 HD2 ARG 62 -0.976 2.465 -6.555 459 2HD ARG 62 HD1 ARG 62 -1.509 4.131 -6.701 460 HE ARG 62 HE ARG 62 -3.416 3.003 -8.060 461 1HH1 ARG 62 HH11 ARG 62 -1.864 1.797 -5.082 462 2HH1 ARG 62 HH12 ARG 62 -3.270 1.036 -4.566 463 1HH2 ARG 62 HH21 ARG 62 -5.359 1.921 -7.191 464 2HH2 ARG 62 HH22 ARG 62 -5.214 1.135 -5.653 465 H TYR 63 H TYR 63 2.310 0.867 -9.727 466 HA TYR 63 HA TYR 63 4.076 1.077 -7.597 467 1HB TYR 63 HB2 TYR 63 5.792 1.651 -9.214 468 2HB TYR 63 HB1 TYR 63 4.724 0.448 -9.925 469 HD1 TYR 63 HD1 TYR 63 6.101 3.779 -10.226 470 HD2 TYR 63 HD2 TYR 63 3.020 1.209 -11.639 471 HE1 TYR 63 HE1 TYR 63 5.751 5.257 -12.158 472 HE2 TYR 63 HE2 TYR 63 2.671 2.670 -13.559 473 HH TYR 63 HH TYR 63 3.054 5.061 -14.110 474 H ASP 64 H ASP 64 2.221 3.464 -9.223 475 HA ASP 64 HA ASP 64 3.557 5.830 -8.709 476 1HB ASP 64 HB2 ASP 64 0.555 5.491 -8.648 477 2HB ASP 64 HB1 ASP 64 1.452 6.955 -8.993 478 H ALA 65 H ALA 65 1.525 3.916 -6.510 479 HA ALA 65 HA ALA 65 1.134 5.994 -4.621 480 1HB ALA 65 HB1 ALA 65 0.455 4.163 -3.083 481 2HB ALA 65 HB2 ALA 65 0.948 2.989 -4.316 482 3HB ALA 65 HB3 ALA 65 -0.361 4.121 -4.631 483 H LEU 66 H LEU 66 3.748 3.866 -5.222 484 HA LEU 66 HA LEU 66 5.075 4.326 -2.700 485 1HB LEU 66 HB2 LEU 66 6.162 3.243 -5.263 486 2HB LEU 66 HB1 LEU 66 6.999 3.201 -3.727 487 HG LEU 66 HG LEU 66 6.242 1.048 -3.992 488 1HD1 LEU 66 HD11 LEU 66 4.078 2.375 -2.413 489 2HD1 LEU 66 HD12 LEU 66 5.658 1.882 -1.794 490 3HD1 LEU 66 HD13 LEU 66 4.496 0.664 -2.336 491 1HD2 LEU 66 HD21 LEU 66 3.972 0.434 -4.725 492 2HD2 LEU 66 HD22 LEU 66 4.896 1.383 -5.900 493 3HD2 LEU 66 HD23 LEU 66 3.634 2.159 -4.953 494 H SER 67 H SER 67 5.025 5.643 -5.859 495 HA SER 67 HA SER 67 7.461 7.214 -5.723 496 1HB SER 67 HB2 SER 67 5.104 6.942 -7.444 497 2HB SER 67 HB1 SER 67 6.144 8.348 -7.710 498 HG SER 67 HG SER 67 7.103 5.638 -7.606 499 H GLU 68 H GLU 68 4.024 7.861 -5.473 500 HA GLU 68 HA GLU 68 4.443 10.586 -4.766 501 1HB GLU 68 HB2 GLU 68 1.919 9.303 -3.942 502 2HB GLU 68 HB1 GLU 68 2.238 10.841 -4.713 503 1HG GLU 68 HG2 GLU 68 2.849 9.506 -6.798 504 2HG GLU 68 HG1 GLU 68 2.174 8.181 -5.956 505 H HIS 69 H HIS 69 4.509 7.683 -3.155 506 HA HIS 69 HA HIS 69 3.565 8.101 -0.620 507 1HB HIS 69 HB2 HIS 69 4.704 6.071 -1.651 508 2HB HIS 69 HB1 HIS 69 6.190 6.779 -0.979 509 HD1 HIS 69 HD1 HIS 69 2.738 5.776 0.228 510 HD2 HIS 69 HD2 HIS 69 6.672 5.966 1.441 511 HE1 HIS 69 HE1 HIS 69 2.771 4.815 2.554 512 H ASN 70 H ASN 70 7.002 8.751 -1.518 513 HA ASN 70 HA ASN 70 7.479 10.250 0.893 514 1HB ASN 70 HB2 ASN 70 9.645 10.817 -0.187 515 2HB ASN 70 HB1 ASN 70 9.349 9.096 -0.063 516 1HD2 ASN 70 HD21 ASN 70 11.145 10.180 -1.671 517 2HD2 ASN 70 HD22 ASN 70 10.679 9.896 -3.345 518 H LEU 71 H LEU 71 5.949 11.032 -1.903 519 HA LEU 71 HA LEU 71 6.538 13.848 -1.824 520 1HB LEU 71 HB2 LEU 71 5.976 13.156 -3.970 521 2HB LEU 71 HB1 LEU 71 4.776 12.029 -3.387 522 HG LEU 71 HG LEU 71 3.228 13.806 -3.011 523 1HD1 LEU 71 HD11 LEU 71 5.361 15.611 -4.245 524 2HD1 LEU 71 HD12 LEU 71 4.809 15.679 -2.572 525 3HD1 LEU 71 HD13 LEU 71 3.708 16.112 -3.882 526 1HD2 LEU 71 HD21 LEU 71 3.197 12.692 -5.134 527 2HD2 LEU 71 HD22 LEU 71 4.407 13.802 -5.780 528 3HD2 LEU 71 HD23 LEU 71 2.798 14.393 -5.366 529 H LYS 72 H LYS 72 3.807 11.794 -0.930 530 HA LYS 72 HA LYS 72 2.694 14.073 0.524 531 1HB LYS 72 HB2 LYS 72 0.627 12.308 0.375 532 2HB LYS 72 HB1 LYS 72 0.827 13.708 -0.700 533 1HG LYS 72 HG2 LYS 72 2.137 12.043 -2.148 534 2HG LYS 72 HG1 LYS 72 1.481 10.796 -1.131 535 1HD LYS 72 HD2 LYS 72 -0.110 12.747 -2.778 536 2HD LYS 72 HD1 LYS 72 0.132 11.026 -3.098 537 1HE LYS 72 HE2 LYS 72 -1.095 10.506 -0.980 538 2HE LYS 72 HE1 LYS 72 -1.363 12.219 -0.752 539 1HZ LYS 72 HZ1 LYS 72 -2.350 10.641 -3.055 540 2HZ LYS 72 HZ2 LYS 72 -2.654 12.274 -2.768 541 3HZ LYS 72 HZ3 LYS 72 -3.245 11.106 -1.707 542 H TYR 73 H TYR 73 3.454 10.787 0.874 543 HA TYR 73 HA TYR 73 2.313 10.544 3.550 544 1HB TYR 73 HB2 TYR 73 3.884 8.644 1.852 545 2HB TYR 73 HB1 TYR 73 3.240 8.204 3.439 546 HD1 TYR 73 HD1 TYR 73 1.317 6.932 3.340 547 HD2 TYR 73 HD2 TYR 73 2.034 9.723 0.229 548 HE1 TYR 73 HE1 TYR 73 -0.721 6.215 2.212 549 HE2 TYR 73 HE2 TYR 73 0.031 9.005 -0.903 550 HH TYR 73 HH TYR 73 -2.311 7.279 0.624 551 H HIS 74 H HIS 74 5.566 10.123 2.087 552 HA HIS 74 HA HIS 74 6.726 10.921 4.730 553 1HB HIS 74 HB2 HIS 74 7.987 9.259 2.518 554 2HB HIS 74 HB1 HIS 74 8.849 9.789 3.940 555 HD1 HIS 74 HD1 HIS 74 8.989 7.987 5.744 556 HD2 HIS 74 HD2 HIS 74 5.849 7.434 3.087 557 HE1 HIS 74 HE1 HIS 74 8.103 5.691 6.214 558 HA PRO 75 HA PRO 75 7.699 14.186 1.548 559 1HB PRO 75 HB2 PRO 75 6.855 16.329 2.882 560 2HB PRO 75 HB1 PRO 75 5.725 15.287 2.002 561 1HG PRO 75 HG2 PRO 75 6.384 15.264 4.941 562 2HG PRO 75 HG1 PRO 75 4.782 15.198 4.169 563 1HD PRO 75 HD2 PRO 75 6.066 12.991 5.077 564 2HD PRO 75 HD1 PRO 75 5.006 13.001 3.656 565 H GLY 76 H GLY 76 9.390 15.480 1.368 566 1HA GLY 76 HA2 GLY 76 10.775 17.055 2.993 567 2HA GLY 76 HA1 GLY 76 11.337 15.474 3.524 568 H GLU 77 H GLU 77 11.416 14.106 1.174 569 HA GLU 77 HA GLU 77 13.010 15.543 -0.735 570 1HB GLU 77 HB2 GLU 77 14.964 14.038 -0.468 571 2HB GLU 77 HB1 GLU 77 14.709 15.050 0.943 572 1HG GLU 77 HG2 GLU 77 14.987 13.123 2.097 573 2HG GLU 77 HG1 GLU 77 13.312 12.836 1.603 574 H GLU 78 H GLU 78 13.760 13.803 -2.411 575 HA GLU 78 HA GLU 78 11.718 11.715 -2.479 576 1HB GLU 78 HB2 GLU 78 11.082 13.649 -3.941 577 2HB GLU 78 HB1 GLU 78 12.598 13.338 -4.805 578 1HG GLU 78 HG2 GLU 78 11.832 11.169 -5.472 579 2HG GLU 78 HG1 GLU 78 10.350 11.350 -4.536 580 H ASN 79 H ASN 79 13.292 10.244 -1.839 581 HA ASN 79 HA ASN 79 14.993 9.325 -4.021 582 1HB ASN 79 HB2 ASN 79 15.875 9.916 -1.215 583 2HB ASN 79 HB1 ASN 79 16.880 9.002 -2.357 584 1HD2 ASN 79 HD21 ASN 79 15.610 11.985 -1.437 585 2HD2 ASN 79 HD22 ASN 79 16.388 13.072 -2.533 586 H PHE 80 H PHE 80 13.687 7.592 -4.219 587 HA PHE 80 HA PHE 80 13.483 5.790 -1.923 588 1HB PHE 80 HB2 PHE 80 11.668 6.438 -4.113 589 2HB PHE 80 HB1 PHE 80 11.928 4.715 -3.934 590 HD1 PHE 80 HD1 PHE 80 10.062 7.486 -2.836 591 HD2 PHE 80 HD2 PHE 80 11.650 3.788 -1.516 592 HE1 PHE 80 HE1 PHE 80 8.347 7.381 -1.050 593 HE2 PHE 80 HE2 PHE 80 9.927 3.662 0.224 594 HZ PHE 80 HZ PHE 80 8.281 5.453 0.455 595 H LYS 81 H LYS 81 14.204 3.736 -2.101 596 HA LYS 81 HA LYS 81 15.917 3.136 -4.427 597 1HB LYS 81 HB2 LYS 81 17.505 2.300 -2.959 598 2HB LYS 81 HB1 LYS 81 16.659 3.393 -1.859 599 1HG LYS 81 HG2 LYS 81 15.367 1.635 -0.944 600 2HG LYS 81 HG1 LYS 81 15.969 0.495 -2.138 601 1HD LYS 81 HD2 LYS 81 18.300 1.109 -1.203 602 2HD LYS 81 HD1 LYS 81 17.356 1.698 0.181 603 1HE LYS 81 HE2 LYS 81 16.335 -0.478 0.466 604 2HE LYS 81 HE1 LYS 81 17.163 -1.062 -0.978 605 1HZ LYS 81 HZ1 LYS 81 18.527 -0.165 1.508 606 2HZ LYS 81 HZ2 LYS 81 19.274 -0.829 0.144 607 3HZ LYS 81 HZ3 LYS 81 18.265 -1.773 1.093 608 H LEU 82 H LEU 82 16.044 0.633 -4.774 609 HA LEU 82 HA LEU 82 13.458 -0.523 -4.114 610 1HB LEU 82 HB2 LEU 82 13.393 -1.702 -6.263 611 2HB LEU 82 HB1 LEU 82 13.350 0.029 -6.474 612 HG LEU 82 HG LEU 82 15.927 -1.480 -6.773 613 1HD1 LEU 82 HD11 LEU 82 13.809 -0.994 -8.883 614 2HD1 LEU 82 HD12 LEU 82 14.293 -2.569 -8.254 615 3HD1 LEU 82 HD13 LEU 82 15.429 -1.608 -9.199 616 1HD2 LEU 82 HD21 LEU 82 16.481 0.376 -8.254 617 2HD2 LEU 82 HD22 LEU 82 16.005 0.968 -6.659 618 3HD2 LEU 82 HD23 LEU 82 14.875 1.062 -8.010 619 H THR 83 H THR 83 13.491 -2.487 -3.321 620 HA THR 83 HA THR 83 15.812 -4.146 -3.664 621 HB THR 83 HB THR 83 16.410 -2.960 -1.643 622 HG1 THR 83 HG1 THR 83 15.642 -5.014 -0.142 623 1HG2 THR 83 HG21 THR 83 13.727 -3.705 -0.479 624 2HG2 THR 83 HG22 THR 83 14.189 -2.095 -1.022 625 3HG2 THR 83 HG23 THR 83 15.007 -2.828 0.363 626 H MET 84 H MET 84 14.841 -6.056 -4.428 627 HA MET 84 HA MET 84 12.058 -6.496 -3.537 628 1HB MET 84 HB2 MET 84 12.544 -6.703 -5.932 629 2HB MET 84 HB1 MET 84 13.810 -7.857 -5.574 630 1HG MET 84 HG2 MET 84 12.101 -9.443 -4.772 631 2HG MET 84 HG1 MET 84 10.847 -8.287 -5.236 632 1HE MET 84 HE1 MET 84 10.981 -11.329 -6.380 633 2HE MET 84 HE2 MET 84 10.578 -11.029 -8.070 634 3HE MET 84 HE3 MET 84 9.715 -10.173 -6.793 635 H VAL 85 H VAL 85 12.163 -7.276 -1.567 636 HA VAL 85 HA VAL 85 13.138 -9.943 -1.244 637 HB VAL 85 HB VAL 85 14.033 -9.179 1.123 638 1HG1 VAL 85 HG11 VAL 85 16.309 -8.854 0.193 639 2HG1 VAL 85 HG12 VAL 85 15.595 -8.633 -1.410 640 3HG1 VAL 85 HG13 VAL 85 15.462 -10.187 -0.595 641 1HG2 VAL 85 HG21 VAL 85 14.392 -6.661 -0.495 642 2HG2 VAL 85 HG22 VAL 85 15.043 -6.937 1.126 643 3HG2 VAL 85 HG23 VAL 85 13.291 -6.838 0.866 644 H LYS 86 H LYS 86 11.180 -10.867 -0.618 645 HA LYS 86 HA LYS 86 9.951 -9.524 1.621 646 1HB LYS 86 HB2 LYS 86 8.797 -8.853 -0.569 647 2HB LYS 86 HB1 LYS 86 8.237 -10.511 -0.636 648 1HG LYS 86 HG2 LYS 86 6.498 -9.276 0.172 649 2HG LYS 86 HG1 LYS 86 7.125 -10.142 1.577 650 1HD LYS 86 HD2 LYS 86 8.192 -8.182 2.441 651 2HD LYS 86 HD1 LYS 86 8.041 -7.331 0.911 652 1HE LYS 86 HE2 LYS 86 6.378 -6.298 2.244 653 2HE LYS 86 HE1 LYS 86 5.520 -7.487 1.303 654 1HZ LYS 86 HZ1 LYS 86 5.468 -8.991 3.210 655 2HZ LYS 86 HZ2 LYS 86 4.871 -7.493 3.665 656 3HZ LYS 86 HZ3 LYS 86 6.420 -7.929 4.087 657 H ARG 87 H ARG 87 9.519 -10.925 3.112 658 HA ARG 87 HA ARG 87 9.699 -13.716 2.298 659 1HB ARG 87 HB2 ARG 87 10.653 -12.441 4.886 660 2HB ARG 87 HB1 ARG 87 10.728 -14.148 4.507 661 1HG ARG 87 HG2 ARG 87 12.958 -13.366 4.142 662 2HG ARG 87 HG1 ARG 87 12.207 -13.510 2.549 663 1HD ARG 87 HD2 ARG 87 13.597 -11.460 2.860 664 2HD ARG 87 HD1 ARG 87 11.943 -11.219 2.301 665 HE ARG 87 HE ARG 87 11.726 -10.862 4.967 666 1HH1 ARG 87 HH11 ARG 87 14.170 -9.468 2.801 667 2HH1 ARG 87 HH12 ARG 87 14.014 -7.909 3.461 668 1HH2 ARG 87 HH21 ARG 87 11.625 -8.711 5.884 669 2HH2 ARG 87 HH22 ARG 87 12.623 -7.489 5.241 670 H ASN 88 H ASN 88 8.405 -15.179 3.598 671 HA ASN 88 HA ASN 88 6.552 -15.887 4.675 672 1HB ASN 88 HB2 ASN 88 6.483 -13.133 5.943 673 2HB ASN 88 HB1 ASN 88 5.498 -14.498 6.439 674 1HD2 ASN 88 HD21 ASN 88 6.461 -16.180 7.565 675 2HD2 ASN 88 HD22 ASN 88 8.030 -16.028 8.266 676 H ASN 89 H ASN 89 6.484 -14.186 2.151 677 HA ASN 89 HA ASN 89 3.582 -13.908 2.045 678 1HB ASN 89 HB2 ASN 89 5.473 -11.638 1.352 679 2HB ASN 89 HB1 ASN 89 3.786 -11.683 0.879 680 1HD2 ASN 89 HD21 ASN 89 6.062 -11.130 3.458 681 2HD2 ASN 89 HD22 ASN 89 4.896 -10.573 4.592 682 H GLN 90 H GLN 90 5.974 -12.536 -0.126 683 HA GLN 90 HA GLN 90 6.288 -14.626 -1.927 684 1HB GLN 90 HB2 GLN 90 5.162 -13.650 -3.821 685 2HB GLN 90 HB1 GLN 90 3.946 -13.877 -2.536 686 1HG GLN 90 HG2 GLN 90 5.276 -11.307 -3.134 687 2HG GLN 90 HG1 GLN 90 3.824 -11.820 -4.003 688 1HE2 GLN 90 HE21 GLN 90 5.147 -10.469 -1.218 689 2HE2 GLN 90 HE22 GLN 90 3.630 -10.231 -0.386 690 H THR 91 H THR 91 7.587 -13.542 -3.793 691 HA THR 91 HA THR 91 8.941 -11.373 -2.495 692 HB THR 91 HB THR 91 10.682 -11.760 -4.379 693 HG1 THR 91 HG1 THR 91 9.468 -14.320 -4.294 694 1HG2 THR 91 HG21 THR 91 11.114 -12.189 -1.999 695 2HG2 THR 91 HG22 THR 91 11.805 -13.473 -2.978 696 3HG2 THR 91 HG23 THR 91 10.296 -13.735 -2.117 697 H ILE 92 H ILE 92 8.541 -9.551 -2.875 698 HA ILE 92 HA ILE 92 7.671 -8.563 -5.402 699 HB ILE 92 HB ILE 92 6.090 -7.008 -4.071 700 1HG1 ILE 92 HG12 ILE 92 5.067 -8.399 -2.075 701 2HG1 ILE 92 HG11 ILE 92 6.653 -9.111 -2.091 702 1HG2 ILE 92 HG21 ILE 92 5.211 -8.556 -5.623 703 2HG2 ILE 92 HG22 ILE 92 4.219 -8.566 -4.169 704 3HG2 ILE 92 HG23 ILE 92 5.358 -9.881 -4.475 705 1HD1 ILE 92 HD11 ILE 92 6.293 -6.149 -1.926 706 2HD1 ILE 92 HD12 ILE 92 7.770 -7.084 -1.733 707 3HD1 ILE 92 HD13 ILE 92 6.483 -7.215 -0.542 708 H PHE 93 H PHE 93 7.887 -6.099 -5.437 709 HA PHE 93 HA PHE 93 10.680 -5.723 -4.687 710 1HB PHE 93 HB2 PHE 93 8.729 -4.169 -6.364 711 2HB PHE 93 HB1 PHE 93 10.382 -3.669 -6.148 712 HD1 PHE 93 HD1 PHE 93 12.157 -4.934 -7.203 713 HD2 PHE 93 HD2 PHE 93 8.079 -5.944 -7.798 714 HE1 PHE 93 HE1 PHE 93 12.782 -6.252 -9.208 715 HE2 PHE 93 HE2 PHE 93 8.677 -7.269 -9.784 716 HZ PHE 93 HZ PHE 93 11.035 -7.422 -10.493 717 H GLU 94 H GLU 94 11.120 -4.646 -2.824 718 HA GLU 94 HA GLU 94 9.073 -3.019 -1.642 719 1HB GLU 94 HB2 GLU 94 11.754 -3.803 -0.479 720 2HB GLU 94 HB1 GLU 94 10.344 -3.187 0.356 721 1HG GLU 94 HG2 GLU 94 9.223 -5.334 -0.468 722 2HG GLU 94 HG1 GLU 94 10.879 -5.927 -0.621 723 H GLN 95 H GLN 95 9.476 -0.934 -1.187 724 HA GLN 95 HA GLN 95 11.849 0.243 -2.492 725 1HB GLN 95 HB2 GLN 95 9.488 0.452 -3.600 726 2HB GLN 95 HB1 GLN 95 9.188 1.631 -2.333 727 1HG GLN 95 HG2 GLN 95 11.005 2.988 -3.089 728 2HG GLN 95 HG1 GLN 95 11.489 1.748 -4.241 729 1HE2 GLN 95 HE21 GLN 95 9.212 4.247 -3.482 730 2HE2 GLN 95 HE22 GLN 95 8.556 4.380 -5.070 731 H THR 96 H THR 96 13.165 1.123 -0.937 732 HA THR 96 HA THR 96 11.936 2.163 1.540 733 HB THR 96 HB THR 96 14.769 1.863 1.763 734 HG1 THR 96 HG1 THR 96 13.722 -0.687 1.439 735 1HG2 THR 96 HG21 THR 96 14.121 0.295 3.606 736 2HG2 THR 96 HG22 THR 96 12.442 0.419 3.061 737 3HG2 THR 96 HG23 THR 96 13.263 1.831 3.663 738 H ILE 97 H ILE 97 13.074 3.997 2.497 739 HA ILE 97 HA ILE 97 14.147 5.835 0.449 740 HB ILE 97 HB ILE 97 13.118 6.635 3.195 741 1HG1 ILE 97 HG12 ILE 97 11.422 6.706 0.752 742 2HG1 ILE 97 HG11 ILE 97 11.481 5.210 1.657 743 1HG2 ILE 97 HG21 ILE 97 13.143 8.027 0.507 744 2HG2 ILE 97 HG22 ILE 97 14.433 8.170 1.688 745 3HG2 ILE 97 HG23 ILE 97 12.822 8.751 2.093 746 1HD1 ILE 97 HD11 ILE 97 10.351 7.882 2.421 747 2HD1 ILE 97 HD12 ILE 97 10.785 6.681 3.645 748 3HD1 ILE 97 HD13 ILE 97 9.585 6.288 2.428 749 H ASN 98 H ASN 98 15.902 7.108 1.108 750 HA ASN 98 HA ASN 98 17.657 5.705 2.972 751 1HB ASN 98 HB2 ASN 98 19.399 7.242 1.889 752 2HB ASN 98 HB1 ASN 98 18.721 5.968 0.872 753 1HD2 ASN 98 HD21 ASN 98 17.182 9.091 1.720 754 2HD2 ASN 98 HD22 ASN 98 17.141 9.677 0.131 755 H ASP 99 H ASP 99 15.439 7.900 3.407 756 HA ASP 99 HA ASP 99 17.012 9.449 5.342 757 1HB ASP 99 HB2 ASP 99 17.067 10.521 3.032 758 2HB ASP 99 HB1 ASP 99 15.397 10.922 3.322 759 H LEU 100 H LEU 100 13.871 9.346 3.693 760 HA LEU 100 HA LEU 100 12.419 10.504 5.882 761 1HB LEU 100 HB2 LEU 100 11.289 9.118 3.432 762 2HB LEU 100 HB1 LEU 100 10.577 10.289 4.513 763 HG LEU 100 HG LEU 100 12.988 11.217 3.091 764 1HD1 LEU 100 HD11 LEU 100 11.907 10.104 1.224 765 2HD1 LEU 100 HD12 LEU 100 11.552 11.805 1.121 766 3HD1 LEU 100 HD13 LEU 100 10.337 10.692 1.756 767 1HD2 LEU 100 HD21 LEU 100 11.746 13.237 3.024 768 2HD2 LEU 100 HD22 LEU 100 11.605 12.574 4.669 769 3HD2 LEU 100 HD23 LEU 100 10.282 12.403 3.493 770 H THR 101 H THR 101 13.788 7.708 5.753 771 HA THR 101 HA THR 101 12.054 5.624 6.187 772 HB THR 101 HB THR 101 14.792 6.119 7.325 773 HG1 THR 101 HG1 THR 101 14.081 5.118 4.804 774 1HG2 THR 101 HG21 THR 101 13.690 3.957 7.955 775 2HG2 THR 101 HG22 THR 101 15.117 3.743 6.928 776 3HG2 THR 101 HG23 THR 101 13.519 3.603 6.228 777 H PHE 102 H PHE 102 13.226 8.201 8.237 778 HA PHE 102 HA PHE 102 11.963 6.992 10.605 779 1HB PHE 102 HB2 PHE 102 14.523 8.607 10.544 780 2HB PHE 102 HB1 PHE 102 13.731 8.018 11.996 781 HD1 PHE 102 HD1 PHE 102 13.540 5.498 12.311 782 HD2 PHE 102 HD2 PHE 102 16.050 7.285 9.381 783 HE1 PHE 102 HE1 PHE 102 14.833 3.413 12.152 784 HE2 PHE 102 HE2 PHE 102 17.347 5.198 9.219 785 HZ PHE 102 HZ PHE 102 16.738 3.265 10.602 Start of MODEL 15 1 HA MET 1 HA MET 1 -5.267 -6.442 -23.378 2 1HB MET 1 HB2 MET 1 -7.438 -5.208 -23.404 3 2HB MET 1 HB1 MET 1 -7.540 -6.787 -22.660 4 1HG MET 1 HG2 MET 1 -8.867 -5.389 -21.336 5 2HG MET 1 HG1 MET 1 -7.373 -5.593 -20.433 6 1HE MET 1 HE1 MET 1 -8.417 -1.997 -19.417 7 2HE MET 1 HE2 MET 1 -7.911 -3.590 -18.855 8 3HE MET 1 HE3 MET 1 -9.460 -3.396 -19.673 9 H ALA 2 H ALA 2 -5.251 -4.459 -24.566 10 HA ALA 2 HA ALA 2 -4.460 -2.461 -25.124 11 1HB ALA 2 HB1 ALA 2 -5.070 -1.659 -22.276 12 2HB ALA 2 HB2 ALA 2 -6.224 -1.654 -23.604 13 3HB ALA 2 HB3 ALA 2 -4.833 -0.568 -23.643 14 H HIS 3 H HIS 3 -2.933 -0.576 -24.013 15 HA HIS 3 HA HIS 3 -0.557 -1.910 -22.895 16 1HB HIS 3 HB2 HIS 3 -0.508 0.160 -25.131 17 2HB HIS 3 HB1 HIS 3 0.872 -0.675 -24.441 18 HD1 HIS 3 HD1 HIS 3 1.289 -3.159 -25.305 19 HD2 HIS 3 HD2 HIS 3 -1.954 -1.215 -27.033 20 HE1 HIS 3 HE1 HIS 3 0.602 -4.544 -27.292 21 H HIS 4 H HIS 4 -2.803 -0.248 -21.935 22 HA HIS 4 HA HIS 4 -1.686 2.448 -21.678 23 1HB HIS 4 HB2 HIS 4 -4.450 1.463 -20.940 24 2HB HIS 4 HB1 HIS 4 -3.907 3.136 -20.923 25 HD1 HIS 4 HD1 HIS 4 -6.270 1.729 -22.733 26 HD2 HIS 4 HD2 HIS 4 -2.521 3.065 -23.956 27 HE1 HIS 4 HE1 HIS 4 -6.435 2.124 -25.215 28 H HIS 5 H HIS 5 -1.811 -0.379 -19.946 29 HA HIS 5 HA HIS 5 -1.141 -1.008 -17.904 30 1HB HIS 5 HB2 HIS 5 0.582 0.803 -17.999 31 2HB HIS 5 HB1 HIS 5 -0.582 1.929 -17.325 32 HD1 HIS 5 HD1 HIS 5 -0.221 2.290 -14.845 33 HD2 HIS 5 HD2 HIS 5 0.950 -1.505 -16.086 34 HE1 HIS 5 HE1 HIS 5 0.679 1.128 -12.811 35 H HIS 6 H HIS 6 -3.230 1.783 -17.906 36 HA HIS 6 HA HIS 6 -4.509 1.166 -15.420 37 1HB HIS 6 HB2 HIS 6 -5.420 2.961 -17.674 38 2HB HIS 6 HB1 HIS 6 -6.154 2.865 -16.083 39 HD1 HIS 6 HD1 HIS 6 -4.470 5.283 -17.695 40 HD2 HIS 6 HD2 HIS 6 -3.526 3.202 -14.226 41 HE1 HIS 6 HE1 HIS 6 -2.857 6.738 -16.427 42 H HIS 7 H HIS 7 -6.227 -0.079 -15.080 43 HA HIS 7 HA HIS 7 -7.228 -1.679 -17.258 44 1HB HIS 7 HB2 HIS 7 -6.780 -2.562 -14.906 45 2HB HIS 7 HB1 HIS 7 -8.181 -1.642 -14.374 46 HD1 HIS 7 HD1 HIS 7 -7.280 -4.951 -15.492 47 HD2 HIS 7 HD2 HIS 7 -10.615 -2.509 -15.872 48 HE1 HIS 7 HE1 HIS 7 -9.176 -6.455 -16.140 49 H HIS 8 H HIS 8 -8.325 0.877 -15.125 50 HA HIS 8 HA HIS 8 -10.593 1.321 -16.945 51 1HB HIS 8 HB2 HIS 8 -10.684 1.640 -13.928 52 2HB HIS 8 HB1 HIS 8 -11.952 2.151 -15.022 53 HD1 HIS 8 HD1 HIS 8 -13.216 0.064 -16.298 54 HD2 HIS 8 HD2 HIS 8 -10.850 -0.860 -13.006 55 HE1 HIS 8 HE1 HIS 8 -13.964 -2.185 -15.508 56 H ASN 9 H ASN 9 -9.265 2.870 -14.096 57 HA ASN 9 HA ASN 9 -8.768 4.956 -13.522 58 1HB ASN 9 HB2 ASN 9 -6.859 4.447 -15.142 59 2HB ASN 9 HB1 ASN 9 -7.733 5.396 -16.343 60 1HD2 ASN 9 HD21 ASN 9 -7.734 7.621 -16.128 61 2HD2 ASN 9 HD22 ASN 9 -6.753 8.486 -15.009 62 H GLN 10 H GLN 10 -11.351 4.523 -14.272 63 HA GLN 10 HA GLN 10 -12.236 6.862 -15.747 64 1HB GLN 10 HB2 GLN 10 -13.779 4.758 -14.217 65 2HB GLN 10 HB1 GLN 10 -14.507 6.018 -15.198 66 1HG GLN 10 HG2 GLN 10 -13.492 5.080 -17.189 67 2HG GLN 10 HG1 GLN 10 -12.696 3.842 -16.219 68 1HE2 GLN 10 HE21 GLN 10 -14.600 3.562 -18.392 69 2HE2 GLN 10 HE22 GLN 10 -15.930 2.673 -17.743 70 H GLN 11 H GLN 11 -12.714 5.499 -12.558 71 HA GLN 11 HA GLN 11 -12.933 8.179 -11.398 72 1HB GLN 11 HB2 GLN 11 -14.681 6.567 -10.753 73 2HB GLN 11 HB1 GLN 11 -13.459 5.408 -10.272 74 1HG GLN 11 HG2 GLN 11 -12.716 7.079 -8.537 75 2HG GLN 11 HG1 GLN 11 -14.163 8.007 -8.935 76 1HE2 GLN 11 HE21 GLN 11 -14.980 7.698 -6.863 77 2HE2 GLN 11 HE22 GLN 11 -15.660 6.182 -6.380 78 H ASN 12 H ASN 12 -11.676 5.065 -10.412 79 HA ASN 12 HA ASN 12 -9.817 4.273 -9.535 80 1HB ASN 12 HB2 ASN 12 -8.849 4.992 -11.667 81 2HB ASN 12 HB1 ASN 12 -8.390 6.540 -10.954 82 1HD2 ASN 12 HD21 ASN 12 -6.207 6.109 -11.405 83 2HD2 ASN 12 HD22 ASN 12 -5.305 4.956 -10.494 84 H LYS 13 H LYS 13 -10.287 4.523 -7.486 85 HA LYS 13 HA LYS 13 -10.198 6.817 -5.975 86 1HB LYS 13 HB2 LYS 13 -9.982 3.943 -5.277 87 2HB LYS 13 HB1 LYS 13 -9.676 5.120 -4.018 88 1HG LYS 13 HG2 LYS 13 -12.215 4.838 -5.643 89 2HG LYS 13 HG1 LYS 13 -11.983 4.363 -3.958 90 1HD LYS 13 HD2 LYS 13 -11.919 7.192 -5.066 91 2HD LYS 13 HD1 LYS 13 -13.146 6.477 -4.033 92 1HE LYS 13 HE2 LYS 13 -11.573 6.267 -2.205 93 2HE LYS 13 HE1 LYS 13 -10.255 6.821 -3.230 94 1HZ LYS 13 HZ1 LYS 13 -12.579 8.434 -2.341 95 2HZ LYS 13 HZ2 LYS 13 -11.392 8.966 -3.424 96 3HZ LYS 13 HZ3 LYS 13 -10.967 8.590 -1.844 97 H LYS 14 H LYS 14 -7.569 4.534 -6.473 98 HA LYS 14 HA LYS 14 -5.364 4.720 -6.279 99 1HB LYS 14 HB2 LYS 14 -6.112 7.557 -6.588 100 2HB LYS 14 HB1 LYS 14 -4.554 7.300 -5.835 101 1HG LYS 14 HG2 LYS 14 -5.421 6.191 -8.509 102 2HG LYS 14 HG1 LYS 14 -4.400 7.611 -8.266 103 1HD LYS 14 HD2 LYS 14 -3.701 4.818 -7.305 104 2HD LYS 14 HD1 LYS 14 -3.111 5.546 -8.790 105 1HE LYS 14 HE2 LYS 14 -2.676 6.842 -6.098 106 2HE LYS 14 HE1 LYS 14 -1.593 5.623 -6.740 107 1HZ LYS 14 HZ1 LYS 14 -0.957 7.963 -7.123 108 2HZ LYS 14 HZ2 LYS 14 -2.182 8.101 -8.306 109 3HZ LYS 14 HZ3 LYS 14 -0.950 6.926 -8.420 110 H VAL 15 H VAL 15 -3.620 5.894 -4.784 111 HA VAL 15 HA VAL 15 -4.368 5.011 -2.178 112 HB VAL 15 HB VAL 15 -2.124 4.596 -3.481 113 1HG1 VAL 15 HG11 VAL 15 -0.301 6.141 -2.989 114 2HG1 VAL 15 HG12 VAL 15 -1.521 7.267 -2.357 115 3HG1 VAL 15 HG13 VAL 15 -1.560 6.803 -4.053 116 1HG2 VAL 15 HG21 VAL 15 -2.501 3.784 -1.251 117 2HG2 VAL 15 HG22 VAL 15 -2.108 5.367 -0.588 118 3HG2 VAL 15 HG23 VAL 15 -0.851 4.409 -1.386 119 H GLU 16 H GLU 16 -5.234 6.374 -0.753 120 HA GLU 16 HA GLU 16 -5.183 9.194 -1.402 121 1HB GLU 16 HB2 GLU 16 -6.667 7.776 0.784 122 2HB GLU 16 HB1 GLU 16 -6.933 9.429 0.236 123 1HG GLU 16 HG2 GLU 16 -7.499 8.516 -1.989 124 2HG GLU 16 HG1 GLU 16 -7.328 6.909 -1.290 125 H GLY 17 H GLY 17 -5.144 7.923 1.879 126 1HA GLY 17 HA2 GLY 17 -2.609 9.353 2.209 127 2HA GLY 17 HA1 GLY 17 -3.970 9.801 3.237 128 H GLY 18 H GLY 18 -4.330 6.618 2.727 129 1HA GLY 18 HA2 GLY 18 -2.747 6.024 5.114 130 2HA GLY 18 HA1 GLY 18 -4.303 5.277 4.729 131 H TYR 19 H TYR 19 -3.664 3.206 4.678 132 HA TYR 19 HA TYR 19 -1.504 2.536 2.795 133 1HB TYR 19 HB2 TYR 19 -2.476 0.869 5.119 134 2HB TYR 19 HB1 TYR 19 -1.024 0.627 4.158 135 HD1 TYR 19 HD1 TYR 19 0.500 2.931 4.148 136 HD2 TYR 19 HD2 TYR 19 -2.084 1.613 7.265 137 HE1 TYR 19 HE1 TYR 19 1.746 4.301 5.762 138 HE2 TYR 19 HE2 TYR 19 -0.866 2.955 8.869 139 HH TYR 19 HH TYR 19 1.386 3.975 9.105 140 H GLU 20 H GLU 20 -2.308 2.042 1.023 141 HA GLU 20 HA GLU 20 -4.866 0.758 0.827 142 1HB GLU 20 HB2 GLU 20 -4.292 2.553 -0.743 143 2HB GLU 20 HB1 GLU 20 -2.868 1.647 -1.252 144 1HG GLU 20 HG2 GLU 20 -4.371 -0.168 -2.011 145 2HG GLU 20 HG1 GLU 20 -5.739 0.870 -1.630 146 H CYS 21 H CYS 21 -5.000 -1.220 0.607 147 HA CYS 21 HA CYS 21 -2.713 -2.985 0.620 148 1HB CYS 21 HB2 CYS 21 -5.611 -3.657 0.268 149 2HB CYS 21 HB1 CYS 21 -4.324 -4.810 0.623 150 H LYS 22 H LYS 22 -2.041 -4.294 -0.985 151 HA LYS 22 HA LYS 22 -2.604 -3.835 -3.714 152 1HB LYS 22 HB2 LYS 22 -0.471 -4.703 -3.164 153 2HB LYS 22 HB1 LYS 22 -1.147 -5.976 -2.166 154 1HG LYS 22 HG2 LYS 22 -0.242 -6.949 -4.149 155 2HG LYS 22 HG1 LYS 22 -1.995 -7.078 -4.210 156 1HD LYS 22 HD2 LYS 22 -2.040 -5.100 -5.681 157 2HD LYS 22 HD1 LYS 22 -0.265 -5.095 -5.659 158 1HE LYS 22 HE2 LYS 22 -0.304 -7.417 -6.540 159 2HE LYS 22 HE1 LYS 22 -2.051 -7.313 -6.668 160 1HZ LYS 22 HZ1 LYS 22 -0.103 -5.618 -8.142 161 2HZ LYS 22 HZ2 LYS 22 -1.791 -5.531 -8.300 162 3HZ LYS 22 HZ3 LYS 22 -0.973 -6.908 -8.784 163 H TYR 23 H TYR 23 -3.934 -5.936 -1.261 164 HA TYR 23 HA TYR 23 -5.219 -7.530 -3.315 165 1HB TYR 23 HB2 TYR 23 -5.524 -8.657 -0.690 166 2HB TYR 23 HB1 TYR 23 -4.767 -9.342 -2.114 167 HD1 TYR 23 HD1 TYR 23 -2.261 -8.944 -2.468 168 HD2 TYR 23 HD2 TYR 23 -4.267 -7.863 1.102 169 HE1 TYR 23 HE1 TYR 23 -0.105 -8.906 -1.269 170 HE2 TYR 23 HE2 TYR 23 -2.144 -7.809 2.316 171 HH TYR 23 HH TYR 23 0.110 -8.927 2.050 172 H CYS 24 H CYS 24 -6.060 -4.864 -1.757 173 HA CYS 24 HA CYS 24 -8.785 -5.444 -2.146 174 1HB CYS 24 HB2 CYS 24 -9.677 -5.093 0.059 175 2HB CYS 24 HB1 CYS 24 -8.405 -6.300 0.195 176 H THR 25 H THR 25 -10.047 -3.460 -2.145 177 HA THR 25 HA THR 25 -8.370 -1.170 -2.651 178 HB THR 25 HB THR 25 -11.394 -1.319 -2.850 179 HG1 THR 25 HG1 THR 25 -11.215 -2.542 -4.570 180 1HG2 THR 25 HG21 THR 25 -10.274 0.876 -3.225 181 2HG2 THR 25 HG22 THR 25 -11.049 0.269 -4.686 182 3HG2 THR 25 HG23 THR 25 -9.300 0.136 -4.497 183 H PHE 26 H PHE 26 -9.444 -2.519 0.031 184 HA PHE 26 HA PHE 26 -10.584 -0.208 1.335 185 1HB PHE 26 HB2 PHE 26 -9.930 -2.965 2.409 186 2HB PHE 26 HB1 PHE 26 -10.691 -1.688 3.350 187 HD1 PHE 26 HD1 PHE 26 -12.877 -0.699 2.339 188 HD2 PHE 26 HD2 PHE 26 -11.261 -4.494 1.302 189 HE1 PHE 26 HE1 PHE 26 -15.091 -1.420 1.553 190 HE2 PHE 26 HE2 PHE 26 -13.468 -5.221 0.508 191 HZ PHE 26 HZ PHE 26 -15.389 -3.683 0.629 192 H GLN 27 H GLN 27 -9.305 1.304 1.858 193 HA GLN 27 HA GLN 27 -6.558 0.761 2.684 194 1HB GLN 27 HB2 GLN 27 -6.536 2.055 0.747 195 2HB GLN 27 HB1 GLN 27 -7.853 3.126 1.297 196 1HG GLN 27 HG2 GLN 27 -6.285 4.043 2.883 197 2HG GLN 27 HG1 GLN 27 -5.075 2.874 2.370 198 1HE2 GLN 27 HE21 GLN 27 -3.703 4.142 1.679 199 2HE2 GLN 27 HE22 GLN 27 -3.780 5.229 0.332 200 H THR 28 H THR 28 -5.783 1.711 4.548 201 HA THR 28 HA THR 28 -7.442 3.559 6.007 202 HB THR 28 HB THR 28 -8.223 1.422 6.937 203 HG1 THR 28 HG1 THR 28 -8.128 2.160 8.890 204 1HG2 THR 28 HG21 THR 28 -6.702 -0.095 8.114 205 2HG2 THR 28 HG22 THR 28 -5.347 0.926 7.702 206 3HG2 THR 28 HG23 THR 28 -6.208 0.057 6.425 207 HA PRO 29 HA PRO 29 -3.334 5.091 6.738 208 1HB PRO 29 HB2 PRO 29 -3.993 7.162 8.328 209 2HB PRO 29 HB1 PRO 29 -4.262 7.159 6.571 210 1HG PRO 29 HG2 PRO 29 -6.208 6.625 8.785 211 2HG PRO 29 HG1 PRO 29 -6.427 7.598 7.320 212 1HD PRO 29 HD2 PRO 29 -7.348 5.044 7.543 213 2HD PRO 29 HD1 PRO 29 -6.819 5.752 5.996 214 H ASP 30 H ASP 30 -5.235 3.472 8.904 215 HA ASP 30 HA ASP 30 -3.504 3.932 11.208 216 1HB ASP 30 HB2 ASP 30 -6.202 3.343 11.035 217 2HB ASP 30 HB1 ASP 30 -5.457 1.807 11.095 218 H LEU 31 H LEU 31 -1.742 2.636 11.336 219 HA LEU 31 HA LEU 31 -1.302 0.490 9.628 220 1HB LEU 31 HB2 LEU 31 0.270 2.000 11.100 221 2HB LEU 31 HB1 LEU 31 0.066 0.720 12.274 222 HG LEU 31 HG LEU 31 2.129 0.314 11.119 223 1HD1 LEU 31 HD11 LEU 31 0.883 -1.724 11.521 224 2HD1 LEU 31 HD12 LEU 31 1.724 -1.848 9.957 225 3HD1 LEU 31 HD13 LEU 31 -0.003 -1.455 10.028 226 1HD2 LEU 31 HD21 LEU 31 2.272 0.137 8.684 227 2HD2 LEU 31 HD22 LEU 31 1.668 1.725 9.218 228 3HD2 LEU 31 HD23 LEU 31 0.546 0.531 8.597 229 H ASN 32 H ASN 32 -2.556 0.705 12.987 230 HA ASN 32 HA ASN 32 -2.421 -2.004 13.645 231 1HB ASN 32 HB2 ASN 32 -2.947 0.079 15.106 232 2HB ASN 32 HB1 ASN 32 -4.576 -0.127 14.442 233 1HD2 ASN 32 HD21 ASN 32 -4.366 -3.113 14.537 234 2HD2 ASN 32 HD22 ASN 32 -4.511 -3.471 16.209 235 H MET 33 H MET 33 -4.905 0.030 12.222 236 HA MET 33 HA MET 33 -6.822 -2.091 11.948 237 1HB MET 33 HB2 MET 33 -6.768 0.514 10.416 238 2HB MET 33 HB1 MET 33 -8.104 -0.612 10.517 239 1HG MET 33 HG2 MET 33 -6.896 0.869 12.776 240 2HG MET 33 HG1 MET 33 -8.406 1.297 11.970 241 1HE MET 33 HE1 MET 33 -9.728 1.259 14.311 242 2HE MET 33 HE2 MET 33 -8.227 0.849 15.142 243 3HE MET 33 HE3 MET 33 -9.687 -0.098 15.437 244 H PHE 34 H PHE 34 -4.431 -0.651 9.900 245 HA PHE 34 HA PHE 34 -5.076 -2.012 7.535 246 1HB PHE 34 HB2 PHE 34 -3.506 -0.217 7.398 247 2HB PHE 34 HB1 PHE 34 -2.442 -0.959 8.567 248 HD1 PHE 34 HD1 PHE 34 -3.811 -1.418 5.087 249 HD2 PHE 34 HD2 PHE 34 -0.710 -2.301 7.884 250 HE1 PHE 34 HE1 PHE 34 -2.495 -2.431 3.295 251 HE2 PHE 34 HE2 PHE 34 0.623 -3.327 6.066 252 HZ PHE 34 HZ PHE 34 -0.277 -3.388 3.773 253 H THR 35 H THR 35 -2.695 -2.918 9.996 254 HA THR 35 HA THR 35 -2.196 -5.385 8.689 255 HB THR 35 HB THR 35 -0.406 -4.441 10.038 256 HG1 THR 35 HG1 THR 35 -1.411 -6.964 10.725 257 1HG2 THR 35 HG21 THR 35 -0.523 -4.454 12.514 258 2HG2 THR 35 HG22 THR 35 -2.238 -4.895 12.389 259 3HG2 THR 35 HG23 THR 35 -1.665 -3.356 11.740 260 H PHE 36 H PHE 36 -4.478 -4.390 11.046 261 HA PHE 36 HA PHE 36 -5.197 -6.973 11.919 262 1HB PHE 36 HB2 PHE 36 -5.835 -5.240 13.332 263 2HB PHE 36 HB1 PHE 36 -6.545 -4.275 12.059 264 HD1 PHE 36 HD1 PHE 36 -8.821 -4.112 12.281 265 HD2 PHE 36 HD2 PHE 36 -6.955 -7.765 13.339 266 HE1 PHE 36 HE1 PHE 36 -11.032 -5.053 12.871 267 HE2 PHE 36 HE2 PHE 36 -9.143 -8.727 13.956 268 HZ PHE 36 HZ PHE 36 -11.188 -7.367 13.717 269 H HIS 37 H HIS 37 -6.690 -4.776 9.517 270 HA HIS 37 HA HIS 37 -8.528 -6.799 8.810 271 1HB HIS 37 HB2 HIS 37 -9.543 -5.301 7.325 272 2HB HIS 37 HB1 HIS 37 -8.746 -4.217 8.449 273 HD1 HIS 37 HD1 HIS 37 -7.198 -2.498 7.412 274 HD2 HIS 37 HD2 HIS 37 -8.295 -5.520 4.786 275 HE1 HIS 37 HE1 HIS 37 -6.387 -1.756 5.129 276 H VAL 38 H VAL 38 -5.360 -6.045 7.792 277 HA VAL 38 HA VAL 38 -5.380 -7.611 5.424 278 HB VAL 38 HB VAL 38 -3.127 -6.683 7.203 279 1HG1 VAL 38 HG11 VAL 38 -1.549 -7.492 5.468 280 2HG1 VAL 38 HG12 VAL 38 -2.904 -8.231 4.605 281 3HG1 VAL 38 HG13 VAL 38 -2.448 -8.822 6.204 282 1HG2 VAL 38 HG21 VAL 38 -2.545 -5.300 5.252 283 2HG2 VAL 38 HG22 VAL 38 -4.170 -4.982 5.862 284 3HG2 VAL 38 HG23 VAL 38 -3.954 -5.942 4.400 285 H ASP 39 H ASP 39 -4.242 -8.322 8.738 286 HA ASP 39 HA ASP 39 -3.541 -10.987 8.203 287 1HB ASP 39 HB2 ASP 39 -2.798 -9.766 10.208 288 2HB ASP 39 HB1 ASP 39 -4.447 -9.767 10.818 289 H SER 40 H SER 40 -6.535 -9.497 8.858 290 HA SER 40 HA SER 40 -7.937 -11.934 9.460 291 1HB SER 40 HB2 SER 40 -8.549 -9.771 10.486 292 2HB SER 40 HB1 SER 40 -8.966 -9.150 8.903 293 HG SER 40 HG SER 40 -10.664 -10.559 8.765 294 H GLU 41 H GLU 41 -7.752 -9.728 6.673 295 HA GLU 41 HA GLU 41 -9.702 -11.473 5.316 296 1HB GLU 41 HB2 GLU 41 -8.751 -8.774 4.388 297 2HB GLU 41 HB1 GLU 41 -10.138 -9.672 3.805 298 1HG GLU 41 HG2 GLU 41 -9.832 -8.418 6.527 299 2HG GLU 41 HG1 GLU 41 -10.828 -7.823 5.205 300 H HIS 42 H HIS 42 -6.411 -10.202 4.928 301 HA HIS 42 HA HIS 42 -5.909 -12.068 2.813 302 1HB HIS 42 HB2 HIS 42 -4.652 -9.893 1.878 303 2HB HIS 42 HB1 HIS 42 -6.186 -10.445 1.200 304 HD1 HIS 42 HD1 HIS 42 -8.283 -8.954 2.008 305 HD2 HIS 42 HD2 HIS 42 -4.576 -7.407 3.075 306 HE1 HIS 42 HE1 HIS 42 -8.713 -6.602 2.711 307 HA PRO 43 HA PRO 43 -2.650 -11.363 6.141 308 1HB PRO 43 HB2 PRO 43 -2.259 -13.967 6.766 309 2HB PRO 43 HB1 PRO 43 -3.515 -12.973 7.510 310 1HG PRO 43 HG2 PRO 43 -3.739 -14.897 5.220 311 2HG PRO 43 HG1 PRO 43 -4.793 -14.734 6.633 312 1HD PRO 43 HD2 PRO 43 -5.488 -13.667 4.284 313 2HD PRO 43 HD1 PRO 43 -5.808 -12.824 5.821 314 H ASN 44 H ASN 44 -2.584 -13.857 3.579 315 HA ASN 44 HA ASN 44 0.336 -13.489 3.521 316 1HB ASN 44 HB2 ASN 44 -0.312 -15.789 4.202 317 2HB ASN 44 HB1 ASN 44 -1.239 -15.954 2.726 318 1HD2 ASN 44 HD21 ASN 44 1.965 -15.713 4.046 319 2HD2 ASN 44 HD22 ASN 44 2.809 -16.384 2.701 320 H VAL 45 H VAL 45 -2.029 -14.878 1.279 321 HA VAL 45 HA VAL 45 -2.586 -14.501 -0.846 322 HB VAL 45 HB VAL 45 -1.496 -11.695 -0.432 323 1HG1 VAL 45 HG11 VAL 45 -3.043 -11.043 -2.188 324 2HG1 VAL 45 HG12 VAL 45 -3.547 -12.720 -2.371 325 3HG1 VAL 45 HG13 VAL 45 -1.895 -12.246 -2.800 326 1HG2 VAL 45 HG21 VAL 45 -3.777 -11.121 0.104 327 2HG2 VAL 45 HG22 VAL 45 -3.084 -12.331 1.215 328 3HG2 VAL 45 HG23 VAL 45 -4.208 -12.836 -0.060 329 H VAL 46 H VAL 46 -1.796 -14.568 -2.963 330 HA VAL 46 HA VAL 46 1.065 -14.584 -2.958 331 HB VAL 46 HB VAL 46 -0.702 -16.280 -4.758 332 1HG1 VAL 46 HG11 VAL 46 1.306 -15.652 -5.966 333 2HG1 VAL 46 HG12 VAL 46 1.375 -17.359 -5.524 334 3HG1 VAL 46 HG13 VAL 46 2.306 -16.173 -4.609 335 1HG2 VAL 46 HG21 VAL 46 -0.620 -17.068 -2.454 336 2HG2 VAL 46 HG22 VAL 46 1.145 -17.074 -2.510 337 3HG2 VAL 46 HG23 VAL 46 0.226 -18.181 -3.529 338 H LEU 47 H LEU 47 -1.448 -14.461 -5.475 339 HA LEU 47 HA LEU 47 -1.744 -13.265 -7.314 340 1HB LEU 47 HB2 LEU 47 -0.601 -11.039 -5.632 341 2HB LEU 47 HB1 LEU 47 -1.319 -10.794 -7.207 342 HG LEU 47 HG LEU 47 -2.760 -11.842 -4.767 343 1HD1 LEU 47 HD11 LEU 47 -2.949 -9.191 -6.183 344 2HD1 LEU 47 HD12 LEU 47 -2.176 -9.466 -4.624 345 3HD1 LEU 47 HD13 LEU 47 -3.917 -9.703 -4.800 346 1HD2 LEU 47 HD21 LEU 47 -3.697 -12.781 -6.798 347 2HD2 LEU 47 HD22 LEU 47 -3.745 -11.182 -7.533 348 3HD2 LEU 47 HD23 LEU 47 -4.773 -11.542 -6.148 349 H ASN 48 H ASN 48 0.996 -11.179 -6.811 350 HA ASN 48 HA ASN 48 2.759 -12.551 -8.589 351 1HB ASN 48 HB2 ASN 48 1.281 -10.077 -9.582 352 2HB ASN 48 HB1 ASN 48 2.770 -10.644 -10.298 353 1HD2 ASN 48 HD21 ASN 48 2.738 -12.638 -11.426 354 2HD2 ASN 48 HD22 ASN 48 1.294 -13.257 -12.111 355 H SER 49 H SER 49 4.213 -10.220 -9.381 356 HA SER 49 HA SER 49 5.110 -9.376 -6.782 357 1HB SER 49 HB2 SER 49 6.336 -8.915 -9.519 358 2HB SER 49 HB1 SER 49 7.084 -8.510 -7.977 359 HG SER 49 HG SER 49 6.830 -10.817 -7.465 360 H SER 50 H SER 50 5.312 -7.152 -6.220 361 HA SER 50 HA SER 50 3.899 -5.114 -7.590 362 1HB SER 50 HB2 SER 50 2.960 -6.443 -5.058 363 2HB SER 50 HB1 SER 50 2.339 -4.921 -5.682 364 HG SER 50 HG SER 50 2.305 -6.679 -7.636 365 H TYR 51 H TYR 51 3.837 -3.254 -5.760 366 HA TYR 51 HA TYR 51 6.526 -3.290 -4.614 367 1HB TYR 51 HB2 TYR 51 4.971 -1.282 -6.071 368 2HB TYR 51 HB1 TYR 51 5.935 -0.719 -4.727 369 HD1 TYR 51 HD1 TYR 51 6.544 -3.171 -7.526 370 HD2 TYR 51 HD2 TYR 51 7.824 0.281 -5.410 371 HE1 TYR 51 HE1 TYR 51 8.500 -2.991 -9.021 372 HE2 TYR 51 HE2 TYR 51 9.796 0.455 -6.878 373 HH TYR 51 HH TYR 51 10.042 -1.155 -9.773 374 H VAL 52 H VAL 52 6.847 -2.617 -2.605 375 HA VAL 52 HA VAL 52 4.533 -1.807 -0.980 376 HB VAL 52 HB VAL 52 5.011 -4.213 -0.650 377 1HG1 VAL 52 HG11 VAL 52 7.322 -4.178 -1.240 378 2HG1 VAL 52 HG12 VAL 52 7.032 -4.968 0.298 379 3HG1 VAL 52 HG13 VAL 52 7.696 -3.328 0.266 380 1HG2 VAL 52 HG21 VAL 52 5.857 -2.590 1.728 381 2HG2 VAL 52 HG22 VAL 52 5.359 -4.283 1.754 382 3HG2 VAL 52 HG23 VAL 52 4.209 -3.032 1.284 383 H CYS 53 H CYS 53 4.985 -0.245 0.514 384 HA CYS 53 HA CYS 53 7.625 1.028 0.511 385 1HB CYS 53 HB2 CYS 53 5.650 2.432 0.610 386 2HB CYS 53 HB1 CYS 53 5.041 1.570 2.006 387 H VAL 54 H VAL 54 9.070 -0.269 1.529 388 HA VAL 54 HA VAL 54 8.569 -2.147 3.497 389 HB VAL 54 HB VAL 54 11.094 -0.820 3.943 390 1HG1 VAL 54 HG11 VAL 54 11.984 -2.966 3.459 391 2HG1 VAL 54 HG12 VAL 54 10.446 -3.392 2.723 392 3HG1 VAL 54 HG13 VAL 54 10.529 -3.148 4.489 393 1HG2 VAL 54 HG21 VAL 54 12.014 -1.489 1.691 394 2HG2 VAL 54 HG22 VAL 54 11.084 -0.008 1.810 395 3HG2 VAL 54 HG23 VAL 54 10.337 -1.419 1.117 396 H GLU 55 H GLU 55 9.116 1.230 3.685 397 HA GLU 55 HA GLU 55 9.770 1.563 6.341 398 1HB GLU 55 HB2 GLU 55 8.123 3.518 4.739 399 2HB GLU 55 HB1 GLU 55 9.240 3.872 6.045 400 1HG GLU 55 HG2 GLU 55 10.038 2.755 3.359 401 2HG GLU 55 HG1 GLU 55 10.100 4.449 3.804 402 H CYS 56 H CYS 56 6.769 1.405 4.673 403 HA CYS 56 HA CYS 56 5.198 1.637 7.197 404 1HB CYS 56 HB2 CYS 56 4.143 1.631 4.402 405 2HB CYS 56 HB1 CYS 56 3.329 2.218 5.849 406 H ASN 57 H ASN 57 6.369 -0.652 5.082 407 HA ASN 57 HA ASN 57 5.856 -2.684 4.316 408 1HB ASN 57 HB2 ASN 57 5.031 -2.718 7.139 409 2HB ASN 57 HB1 ASN 57 4.731 -4.190 6.177 410 1HD2 ASN 57 HD21 ASN 57 7.268 -3.718 4.632 411 2HD2 ASN 57 HD22 ASN 57 8.475 -4.178 5.765 412 H PHE 58 H PHE 58 4.288 -1.225 3.027 413 HA PHE 58 HA PHE 58 1.652 -2.466 3.221 414 1HB PHE 58 HB2 PHE 58 0.439 -0.535 3.339 415 2HB PHE 58 HB1 PHE 58 1.916 0.148 3.987 416 HD1 PHE 58 HD1 PHE 58 3.168 1.777 2.678 417 HD2 PHE 58 HD2 PHE 58 -0.279 -0.065 1.090 418 HE1 PHE 58 HE1 PHE 58 3.083 3.498 0.862 419 HE2 PHE 58 HE2 PHE 58 -0.372 1.649 -0.720 420 HZ PHE 58 HZ PHE 58 1.324 3.403 -0.836 421 H LEU 59 H LEU 59 1.031 -3.332 1.457 422 HA LEU 59 HA LEU 59 2.631 -3.007 -0.958 423 1HB LEU 59 HB2 LEU 59 1.016 -5.151 0.239 424 2HB LEU 59 HB1 LEU 59 0.878 -4.986 -1.495 425 HG LEU 59 HG LEU 59 3.522 -5.299 -0.135 426 1HD1 LEU 59 HD11 LEU 59 1.762 -7.361 -1.444 427 2HD1 LEU 59 HD12 LEU 59 1.932 -7.164 0.295 428 3HD1 LEU 59 HD13 LEU 59 3.324 -7.647 -0.663 429 1HD2 LEU 59 HD21 LEU 59 2.543 -5.627 -2.992 430 2HD2 LEU 59 HD22 LEU 59 4.157 -5.994 -2.436 431 3HD2 LEU 59 HD23 LEU 59 3.580 -4.336 -2.400 432 H THR 60 H THR 60 1.634 -2.199 -2.803 433 HA THR 60 HA THR 60 -1.208 -1.636 -2.522 434 HB THR 60 HB THR 60 -0.313 0.414 -2.074 435 HG1 THR 60 HG1 THR 60 -1.763 1.002 -3.638 436 1HG2 THR 60 HG21 THR 60 2.030 -0.163 -2.582 437 2HG2 THR 60 HG22 THR 60 1.631 1.439 -3.112 438 3HG2 THR 60 HG23 THR 60 1.729 0.129 -4.288 439 H LYS 61 H LYS 61 -2.195 -0.999 -4.568 440 HA LYS 61 HA LYS 61 -1.944 -3.169 -6.404 441 1HB LYS 61 HB2 LYS 61 -4.089 -2.297 -5.637 442 2HB LYS 61 HB1 LYS 61 -3.742 -0.742 -6.363 443 1HG LYS 61 HG2 LYS 61 -3.810 -1.760 -8.584 444 2HG LYS 61 HG1 LYS 61 -4.129 -3.332 -7.849 445 1HD LYS 61 HD2 LYS 61 -5.902 -0.911 -7.525 446 2HD LYS 61 HD1 LYS 61 -6.171 -2.180 -8.716 447 1HE LYS 61 HE2 LYS 61 -6.114 -2.559 -5.710 448 2HE LYS 61 HE1 LYS 61 -7.555 -2.487 -6.716 449 1HZ LYS 61 HZ1 LYS 61 -6.992 -4.773 -6.246 450 2HZ LYS 61 HZ2 LYS 61 -5.442 -4.589 -6.861 451 3HZ LYS 61 HZ3 LYS 61 -6.758 -4.492 -7.885 452 H ARG 62 H ARG 62 -0.503 -0.112 -6.249 453 HA ARG 62 HA ARG 62 0.382 -0.409 -9.008 454 1HB ARG 62 HB2 ARG 62 0.238 1.990 -9.467 455 2HB ARG 62 HB1 ARG 62 -1.345 1.295 -9.180 456 1HG ARG 62 HG2 ARG 62 0.131 2.673 -6.968 457 2HG ARG 62 HG1 ARG 62 -0.763 3.602 -8.172 458 1HD ARG 62 HD2 ARG 62 -1.830 1.435 -6.419 459 2HD ARG 62 HD1 ARG 62 -2.106 3.160 -6.190 460 HE ARG 62 HE ARG 62 -2.855 2.553 -8.797 461 1HH1 ARG 62 HH11 ARG 62 -4.088 1.747 -5.534 462 2HH1 ARG 62 HH12 ARG 62 -5.671 1.760 -6.031 463 1HH2 ARG 62 HH21 ARG 62 -5.046 2.528 -9.418 464 2HH2 ARG 62 HH22 ARG 62 -6.271 2.225 -8.282 465 H TYR 63 H TYR 63 2.411 0.551 -9.421 466 HA TYR 63 HA TYR 63 3.934 0.596 -7.014 467 1HB TYR 63 HB2 TYR 63 5.940 0.819 -8.698 468 2HB TYR 63 HB1 TYR 63 5.111 -0.714 -8.494 469 HD1 TYR 63 HD1 TYR 63 5.852 2.024 -10.782 470 HD2 TYR 63 HD2 TYR 63 3.596 -1.531 -10.223 471 HE1 TYR 63 HE1 TYR 63 5.416 1.911 -13.206 472 HE2 TYR 63 HE2 TYR 63 3.154 -1.648 -12.621 473 HH TYR 63 HH TYR 63 3.059 -0.182 -14.474 474 H ASP 64 H ASP 64 2.489 2.847 -8.947 475 HA ASP 64 HA ASP 64 4.286 5.003 -8.422 476 1HB ASP 64 HB2 ASP 64 2.472 6.501 -9.061 477 2HB ASP 64 HB1 ASP 64 2.873 5.317 -10.322 478 H ALA 65 H ALA 65 1.648 3.709 -6.604 479 HA ALA 65 HA ALA 65 1.231 5.776 -4.742 480 1HB ALA 65 HB1 ALA 65 1.231 2.803 -4.376 481 2HB ALA 65 HB2 ALA 65 -0.158 3.804 -4.797 482 3HB ALA 65 HB3 ALA 65 0.585 3.942 -3.202 483 H LEU 66 H LEU 66 3.879 3.636 -5.068 484 HA LEU 66 HA LEU 66 5.029 4.226 -2.485 485 1HB LEU 66 HB2 LEU 66 6.337 2.865 -4.820 486 2HB LEU 66 HB1 LEU 66 6.948 2.938 -3.186 487 HG LEU 66 HG LEU 66 6.110 0.832 -3.404 488 1HD1 LEU 66 HD11 LEU 66 4.187 0.698 -1.915 489 2HD1 LEU 66 HD12 LEU 66 3.861 2.400 -2.214 490 3HD1 LEU 66 HD13 LEU 66 5.339 1.927 -1.354 491 1HD2 LEU 66 HD21 LEU 66 4.969 1.147 -5.474 492 2HD2 LEU 66 HD22 LEU 66 3.651 1.985 -4.652 493 3HD2 LEU 66 HD23 LEU 66 3.940 0.266 -4.342 494 H SER 67 H SER 67 5.234 5.357 -5.678 495 HA SER 67 HA SER 67 7.742 6.774 -5.412 496 1HB SER 67 HB2 SER 67 6.505 5.897 -7.569 497 2HB SER 67 HB1 SER 67 5.574 7.365 -7.414 498 HG SER 67 HG SER 67 7.305 8.601 -7.769 499 H GLU 68 H GLU 68 4.322 7.601 -5.544 500 HA GLU 68 HA GLU 68 4.622 10.343 -4.902 501 1HB GLU 68 HB2 GLU 68 2.153 8.962 -4.057 502 2HB GLU 68 HB1 GLU 68 2.360 10.498 -4.863 503 1HG GLU 68 HG2 GLU 68 3.099 9.126 -6.896 504 2HG GLU 68 HG1 GLU 68 2.469 7.782 -6.021 505 H HIS 69 H HIS 69 4.678 7.554 -3.115 506 HA HIS 69 HA HIS 69 3.681 8.144 -0.627 507 1HB HIS 69 HB2 HIS 69 4.815 6.021 -1.499 508 2HB HIS 69 HB1 HIS 69 6.286 6.795 -0.865 509 HD1 HIS 69 HD1 HIS 69 2.888 5.647 0.346 510 HD2 HIS 69 HD2 HIS 69 6.716 6.421 1.673 511 HE1 HIS 69 HE1 HIS 69 2.922 4.916 2.751 512 H ASN 70 H ASN 70 7.087 8.761 -1.563 513 HA ASN 70 HA ASN 70 7.530 10.324 0.799 514 1HB ASN 70 HB2 ASN 70 9.701 10.996 -0.168 515 2HB ASN 70 HB1 ASN 70 9.455 9.249 -0.141 516 1HD2 ASN 70 HD21 ASN 70 11.243 9.517 -1.538 517 2HD2 ASN 70 HD22 ASN 70 10.943 9.600 -3.265 518 H LEU 71 H LEU 71 6.011 11.008 -1.948 519 HA LEU 71 HA LEU 71 6.502 13.839 -1.966 520 1HB LEU 71 HB2 LEU 71 6.004 13.128 -4.084 521 2HB LEU 71 HB1 LEU 71 4.906 11.885 -3.545 522 HG LEU 71 HG LEU 71 3.200 13.530 -3.181 523 1HD1 LEU 71 HD11 LEU 71 3.502 15.858 -4.084 524 2HD1 LEU 71 HD12 LEU 71 5.187 15.482 -4.446 525 3HD1 LEU 71 HD13 LEU 71 4.634 15.536 -2.771 526 1HD2 LEU 71 HD21 LEU 71 2.755 14.039 -5.557 527 2HD2 LEU 71 HD22 LEU 71 3.284 12.380 -5.282 528 3HD2 LEU 71 HD23 LEU 71 4.409 13.568 -5.940 529 H LYS 72 H LYS 72 3.833 11.698 -1.015 530 HA LYS 72 HA LYS 72 2.641 13.987 0.350 531 1HB LYS 72 HB2 LYS 72 0.632 12.146 0.299 532 2HB LYS 72 HB1 LYS 72 0.800 13.474 -0.854 533 1HG LYS 72 HG2 LYS 72 2.142 11.800 -2.214 534 2HG LYS 72 HG1 LYS 72 1.551 10.570 -1.141 535 1HD LYS 72 HD2 LYS 72 -0.118 12.386 -2.874 536 2HD LYS 72 HD1 LYS 72 0.133 10.652 -3.068 537 1HE LYS 72 HE2 LYS 72 -1.102 10.253 -0.940 538 2HE LYS 72 HE1 LYS 72 -1.312 11.984 -0.766 539 1HZ LYS 72 HZ1 LYS 72 -2.393 10.371 -3.012 540 2HZ LYS 72 HZ2 LYS 72 -2.678 12.014 -2.721 541 3HZ LYS 72 HZ3 LYS 72 -3.245 10.856 -1.646 542 H TYR 73 H TYR 73 3.460 10.694 0.840 543 HA TYR 73 HA TYR 73 2.348 10.583 3.518 544 1HB TYR 73 HB2 TYR 73 3.894 8.641 1.862 545 2HB TYR 73 HB1 TYR 73 3.325 8.264 3.495 546 HD1 TYR 73 HD1 TYR 73 2.064 9.527 0.222 547 HD2 TYR 73 HD2 TYR 73 1.336 7.134 3.641 548 HE1 TYR 73 HE1 TYR 73 0.010 8.769 -0.775 549 HE2 TYR 73 HE2 TYR 73 -0.763 6.376 2.657 550 HH TYR 73 HH TYR 73 -2.370 7.350 1.014 551 H HIS 74 H HIS 74 5.577 10.197 2.057 552 HA HIS 74 HA HIS 74 6.732 10.989 4.678 553 1HB HIS 74 HB2 HIS 74 7.908 9.185 2.538 554 2HB HIS 74 HB1 HIS 74 8.777 9.687 3.983 555 HD1 HIS 74 HD1 HIS 74 6.099 8.978 5.859 556 HD2 HIS 74 HD2 HIS 74 8.141 6.539 3.185 557 HE1 HIS 74 HE1 HIS 74 5.540 6.626 6.505 558 HA PRO 75 HA PRO 75 7.789 14.091 1.358 559 1HB PRO 75 HB2 PRO 75 6.987 16.310 2.596 560 2HB PRO 75 HB1 PRO 75 5.837 15.246 1.777 561 1HG PRO 75 HG2 PRO 75 6.533 15.338 4.706 562 2HG PRO 75 HG1 PRO 75 4.918 15.295 3.958 563 1HD PRO 75 HD2 PRO 75 6.121 13.090 4.936 564 2HD PRO 75 HD1 PRO 75 5.068 13.071 3.507 565 H GLY 76 H GLY 76 9.506 15.361 1.142 566 1HA GLY 76 HA2 GLY 76 10.883 16.955 2.766 567 2HA GLY 76 HA1 GLY 76 11.435 15.374 3.306 568 H GLU 77 H GLU 77 11.511 14.031 0.884 569 HA GLU 77 HA GLU 77 13.115 15.440 -1.028 570 1HB GLU 77 HB2 GLU 77 15.147 14.043 -0.679 571 2HB GLU 77 HB1 GLU 77 14.839 15.139 0.657 572 1HG GLU 77 HG2 GLU 77 15.069 13.385 2.015 573 2HG GLU 77 HG1 GLU 77 13.552 12.775 1.337 574 H GLU 78 H GLU 78 14.057 13.696 -2.606 575 HA GLU 78 HA GLU 78 12.015 11.605 -2.811 576 1HB GLU 78 HB2 GLU 78 11.523 13.484 -4.380 577 2HB GLU 78 HB1 GLU 78 13.134 13.234 -5.048 578 1HG GLU 78 HG2 GLU 78 12.495 10.990 -5.778 579 2HG GLU 78 HG1 GLU 78 10.889 11.249 -5.101 580 H ASN 79 H ASN 79 13.469 10.108 -2.020 581 HA ASN 79 HA ASN 79 15.312 9.049 -4.011 582 1HB ASN 79 HB2 ASN 79 16.117 9.721 -1.175 583 2HB ASN 79 HB1 ASN 79 17.104 8.755 -2.273 584 1HD2 ASN 79 HD21 ASN 79 15.797 11.829 -1.572 585 2HD2 ASN 79 HD22 ASN 79 16.764 12.824 -2.611 586 H PHE 80 H PHE 80 13.952 7.371 -4.163 587 HA PHE 80 HA PHE 80 13.598 5.683 -1.798 588 1HB PHE 80 HB2 PHE 80 11.875 6.385 -4.022 589 2HB PHE 80 HB1 PHE 80 12.043 4.652 -3.848 590 HD1 PHE 80 HD1 PHE 80 10.259 7.499 -2.806 591 HD2 PHE 80 HD2 PHE 80 11.644 3.734 -1.418 592 HE1 PHE 80 HE1 PHE 80 8.458 7.453 -1.102 593 HE2 PHE 80 HE2 PHE 80 9.849 3.670 0.228 594 HZ PHE 80 HZ PHE 80 8.244 5.532 0.389 595 H LYS 81 H LYS 81 14.239 3.607 -1.916 596 HA LYS 81 HA LYS 81 15.918 2.889 -4.218 597 1HB LYS 81 HB2 LYS 81 17.454 1.992 -2.725 598 2HB LYS 81 HB1 LYS 81 16.666 3.173 -1.672 599 1HG LYS 81 HG2 LYS 81 15.270 1.522 -0.712 600 2HG LYS 81 HG1 LYS 81 15.821 0.311 -1.856 601 1HD LYS 81 HD2 LYS 81 18.156 0.743 -0.884 602 2HD LYS 81 HD1 LYS 81 17.260 1.523 0.439 603 1HE LYS 81 HE2 LYS 81 15.951 -0.495 0.753 604 2HE LYS 81 HE1 LYS 81 16.824 -1.239 -0.588 605 1HZ LYS 81 HZ1 LYS 81 18.857 -1.148 0.719 606 2HZ LYS 81 HZ2 LYS 81 17.662 -1.939 1.604 607 3HZ LYS 81 HZ3 LYS 81 18.057 -0.364 1.977 608 H LEU 82 H LEU 82 15.939 0.432 -4.520 609 HA LEU 82 HA LEU 82 13.352 -0.702 -3.813 610 1HB LEU 82 HB2 LEU 82 13.235 -1.888 -5.974 611 2HB LEU 82 HB1 LEU 82 13.141 -0.155 -6.166 612 HG LEU 82 HG LEU 82 15.750 -1.588 -6.586 613 1HD1 LEU 82 HD11 LEU 82 14.083 -2.726 -7.999 614 2HD1 LEU 82 HD12 LEU 82 15.161 -1.744 -8.986 615 3HD1 LEU 82 HD13 LEU 82 13.536 -1.168 -8.614 616 1HD2 LEU 82 HD21 LEU 82 16.198 0.305 -8.052 617 2HD2 LEU 82 HD22 LEU 82 15.702 0.884 -6.455 618 3HD2 LEU 82 HD23 LEU 82 14.562 0.909 -7.793 619 H THR 83 H THR 83 13.391 -2.674 -3.044 620 HA THR 83 HA THR 83 15.742 -4.312 -3.344 621 HB THR 83 HB THR 83 16.262 -3.103 -1.318 622 HG1 THR 83 HG1 THR 83 15.954 -4.795 0.322 623 1HG2 THR 83 HG21 THR 83 13.535 -3.803 -0.249 624 2HG2 THR 83 HG22 THR 83 13.997 -2.215 -0.843 625 3HG2 THR 83 HG23 THR 83 14.769 -2.872 0.606 626 H MET 84 H MET 84 14.863 -6.323 -3.970 627 HA MET 84 HA MET 84 12.002 -6.580 -3.296 628 1HB MET 84 HB2 MET 84 12.621 -6.839 -5.672 629 2HB MET 84 HB1 MET 84 13.719 -8.136 -5.211 630 1HG MET 84 HG2 MET 84 11.847 -9.511 -4.510 631 2HG MET 84 HG1 MET 84 10.721 -8.216 -4.913 632 1HE MET 84 HE1 MET 84 9.313 -9.862 -6.452 633 2HE MET 84 HE2 MET 84 10.411 -11.182 -6.056 634 3HE MET 84 HE3 MET 84 10.013 -10.840 -7.739 635 H VAL 85 H VAL 85 11.883 -7.362 -1.367 636 HA VAL 85 HA VAL 85 12.726 -10.063 -0.970 637 HB VAL 85 HB VAL 85 13.460 -9.342 1.470 638 1HG1 VAL 85 HG11 VAL 85 15.241 -8.835 -0.917 639 2HG1 VAL 85 HG12 VAL 85 14.988 -10.392 -0.130 640 3HG1 VAL 85 HG13 VAL 85 15.812 -9.090 0.735 641 1HG2 VAL 85 HG21 VAL 85 14.039 -6.815 -0.087 642 2HG2 VAL 85 HG22 VAL 85 14.591 -7.148 1.559 643 3HG2 VAL 85 HG23 VAL 85 12.864 -6.966 1.219 644 H LYS 86 H LYS 86 10.647 -10.912 -0.585 645 HA LYS 86 HA LYS 86 9.434 -9.588 1.684 646 1HB LYS 86 HB2 LYS 86 8.299 -8.871 -0.539 647 2HB LYS 86 HB1 LYS 86 7.593 -10.507 -0.502 648 1HG LYS 86 HG2 LYS 86 6.026 -9.002 0.348 649 2HG LYS 86 HG1 LYS 86 6.640 -10.012 1.653 650 1HD LYS 86 HD2 LYS 86 7.925 -8.320 2.603 651 2HD LYS 86 HD1 LYS 86 7.950 -7.377 1.126 652 1HE LYS 86 HE2 LYS 86 5.768 -6.471 1.539 653 2HE LYS 86 HE1 LYS 86 5.374 -7.743 2.691 654 1HZ LYS 86 HZ1 LYS 86 7.025 -6.848 4.138 655 2HZ LYS 86 HZ2 LYS 86 5.900 -5.659 3.734 656 3HZ LYS 86 HZ3 LYS 86 7.469 -5.697 2.994 657 H ARG 87 H ARG 87 9.111 -10.922 3.200 658 HA ARG 87 HA ARG 87 9.063 -13.738 2.480 659 1HB ARG 87 HB2 ARG 87 10.411 -12.454 4.881 660 2HB ARG 87 HB1 ARG 87 10.394 -14.172 4.509 661 1HG ARG 87 HG2 ARG 87 12.546 -13.484 3.803 662 2HG ARG 87 HG1 ARG 87 11.583 -13.499 2.324 663 1HD ARG 87 HD2 ARG 87 12.954 -11.496 2.351 664 2HD ARG 87 HD1 ARG 87 11.261 -11.070 2.492 665 HE ARG 87 HE ARG 87 12.737 -11.305 4.973 666 1HH1 ARG 87 HH11 ARG 87 11.416 -8.959 2.547 667 2HH1 ARG 87 HH12 ARG 87 11.601 -7.657 3.560 668 1HH2 ARG 87 HH21 ARG 87 12.965 -9.403 6.310 669 2HH2 ARG 87 HH22 ARG 87 12.486 -7.882 5.708 670 H ASN 88 H ASN 88 7.777 -15.055 3.850 671 HA ASN 88 HA ASN 88 5.982 -15.609 5.048 672 1HB ASN 88 HB2 ASN 88 6.438 -12.958 6.451 673 2HB ASN 88 HB1 ASN 88 5.116 -14.035 6.874 674 1HD2 ASN 88 HD21 ASN 88 5.852 -14.383 8.893 675 2HD2 ASN 88 HD22 ASN 88 7.266 -15.297 9.290 676 H ASN 89 H ASN 89 6.031 -13.753 2.708 677 HA ASN 89 HA ASN 89 3.160 -13.429 2.370 678 1HB ASN 89 HB2 ASN 89 5.160 -11.195 1.810 679 2HB ASN 89 HB1 ASN 89 3.460 -11.146 1.427 680 1HD2 ASN 89 HD21 ASN 89 5.847 -10.741 3.845 681 2HD2 ASN 89 HD22 ASN 89 4.827 -10.086 5.072 682 H GLN 90 H GLN 90 3.755 -11.976 -0.142 683 HA GLN 90 HA GLN 90 4.826 -14.214 -1.656 684 1HB GLN 90 HB2 GLN 90 3.881 -13.079 -3.589 685 2HB GLN 90 HB1 GLN 90 2.630 -13.301 -2.350 686 1HG GLN 90 HG2 GLN 90 4.121 -10.768 -2.777 687 2HG GLN 90 HG1 GLN 90 2.643 -11.146 -3.663 688 1HE2 GLN 90 HE21 GLN 90 4.028 -10.186 -0.668 689 2HE2 GLN 90 HE22 GLN 90 2.517 -9.899 0.153 690 H THR 91 H THR 91 6.185 -13.364 -3.612 691 HA THR 91 HA THR 91 8.063 -11.563 -2.378 692 HB THR 91 HB THR 91 9.536 -12.317 -4.406 693 HG1 THR 91 HG1 THR 91 7.375 -13.606 -5.008 694 1HG2 THR 91 HG21 THR 91 10.332 -14.267 -3.081 695 2HG2 THR 91 HG22 THR 91 8.867 -14.197 -2.112 696 3HG2 THR 91 HG23 THR 91 10.021 -12.890 -2.031 697 H ILE 92 H ILE 92 7.956 -9.664 -2.711 698 HA ILE 92 HA ILE 92 7.186 -8.472 -5.191 699 HB ILE 92 HB ILE 92 5.802 -6.825 -3.801 700 1HG1 ILE 92 HG12 ILE 92 4.743 -8.164 -1.807 701 2HG1 ILE 92 HG11 ILE 92 6.293 -8.944 -1.847 702 1HG2 ILE 92 HG21 ILE 92 4.636 -8.235 -5.261 703 2HG2 ILE 92 HG22 ILE 92 3.795 -8.319 -3.722 704 3HG2 ILE 92 HG23 ILE 92 4.873 -9.634 -4.230 705 1HD1 ILE 92 HD11 ILE 92 7.503 -6.935 -1.575 706 2HD1 ILE 92 HD12 ILE 92 6.290 -7.036 -0.308 707 3HD1 ILE 92 HD13 ILE 92 6.046 -5.965 -1.684 708 H PHE 93 H PHE 93 7.741 -6.071 -5.168 709 HA PHE 93 HA PHE 93 10.518 -5.922 -4.291 710 1HB PHE 93 HB2 PHE 93 8.762 -4.183 -5.998 711 2HB PHE 93 HB1 PHE 93 10.441 -3.831 -5.686 712 HD1 PHE 93 HD1 PHE 93 8.096 -6.176 -7.314 713 HD2 PHE 93 HD2 PHE 93 12.099 -4.839 -6.926 714 HE1 PHE 93 HE1 PHE 93 8.685 -7.404 -9.369 715 HE2 PHE 93 HE2 PHE 93 12.720 -6.069 -8.983 716 HZ PHE 93 HZ PHE 93 11.002 -7.353 -10.205 717 H GLU 94 H GLU 94 11.043 -4.713 -2.497 718 HA GLU 94 HA GLU 94 9.000 -3.052 -1.340 719 1HB GLU 94 HB2 GLU 94 11.635 -3.955 -0.149 720 2HB GLU 94 HB1 GLU 94 10.316 -3.176 0.690 721 1HG GLU 94 HG2 GLU 94 8.984 -5.263 -0.135 722 2HG GLU 94 HG1 GLU 94 10.584 -6.004 -0.157 723 H GLN 95 H GLN 95 9.368 -0.924 -0.973 724 HA GLN 95 HA GLN 95 11.750 0.203 -2.300 725 1HB GLN 95 HB2 GLN 95 9.324 0.418 -3.341 726 2HB GLN 95 HB1 GLN 95 9.125 1.659 -2.115 727 1HG GLN 95 HG2 GLN 95 11.023 2.877 -3.001 728 2HG GLN 95 HG1 GLN 95 11.311 1.594 -4.167 729 1HE2 GLN 95 HE21 GLN 95 9.317 4.258 -3.284 730 2HE2 GLN 95 HE22 GLN 95 8.531 4.445 -4.803 731 H THR 96 H THR 96 13.063 1.094 -0.804 732 HA THR 96 HA THR 96 11.909 2.145 1.725 733 HB THR 96 HB THR 96 14.753 1.662 1.814 734 HG1 THR 96 HG1 THR 96 13.025 -0.286 0.785 735 1HG2 THR 96 HG21 THR 96 12.385 0.436 3.273 736 2HG2 THR 96 HG22 THR 96 13.302 1.812 3.798 737 3HG2 THR 96 HG23 THR 96 14.068 0.219 3.741 738 H ILE 97 H ILE 97 13.063 3.996 2.669 739 HA ILE 97 HA ILE 97 14.285 5.749 0.614 740 HB ILE 97 HB ILE 97 13.037 6.657 3.223 741 1HG1 ILE 97 HG12 ILE 97 11.582 6.713 0.630 742 2HG1 ILE 97 HG11 ILE 97 11.513 5.245 1.552 743 1HG2 ILE 97 HG21 ILE 97 14.527 8.149 1.814 744 2HG2 ILE 97 HG22 ILE 97 12.909 8.749 2.070 745 3HG2 ILE 97 HG23 ILE 97 13.334 8.006 0.516 746 1HD1 ILE 97 HD11 ILE 97 9.638 6.367 2.052 747 2HD1 ILE 97 HD12 ILE 97 10.391 7.931 2.191 748 3HD1 ILE 97 HD13 ILE 97 10.641 6.682 3.457 749 H ASN 98 H ASN 98 15.973 7.040 1.312 750 HA ASN 98 HA ASN 98 17.676 5.790 3.332 751 1HB ASN 98 HB2 ASN 98 19.434 7.224 2.166 752 2HB ASN 98 HB1 ASN 98 18.738 5.911 1.210 753 1HD2 ASN 98 HD21 ASN 98 17.235 9.117 1.864 754 2HD2 ASN 98 HD22 ASN 98 17.251 9.606 0.240 755 H ASP 99 H ASP 99 15.422 7.860 3.708 756 HA ASP 99 HA ASP 99 16.870 9.687 5.474 757 1HB ASP 99 HB2 ASP 99 16.917 10.574 3.135 758 2HB ASP 99 HB1 ASP 99 15.193 10.724 3.237 759 H LEU 100 H LEU 100 13.870 9.456 3.694 760 HA LEU 100 HA LEU 100 12.172 10.394 5.820 761 1HB LEU 100 HB2 LEU 100 11.349 9.139 3.217 762 2HB LEU 100 HB1 LEU 100 10.532 10.327 4.201 763 HG LEU 100 HG LEU 100 13.121 11.177 3.047 764 1HD1 LEU 100 HD11 LEU 100 12.196 10.149 1.098 765 2HD1 LEU 100 HD12 LEU 100 11.781 11.860 0.986 766 3HD1 LEU 100 HD13 LEU 100 10.589 10.685 1.548 767 1HD2 LEU 100 HD21 LEU 100 10.431 12.431 3.293 768 2HD2 LEU 100 HD22 LEU 100 11.920 13.220 2.813 769 3HD2 LEU 100 HD23 LEU 100 11.733 12.622 4.487 770 H THR 101 H THR 101 13.710 7.783 5.855 771 HA THR 101 HA THR 101 12.385 5.439 5.603 772 HB THR 101 HB THR 101 14.289 6.165 7.823 773 HG1 THR 101 HG1 THR 101 15.007 5.512 5.169 774 1HG2 THR 101 HG21 THR 101 13.492 3.816 7.675 775 2HG2 THR 101 HG22 THR 101 15.221 3.959 7.330 776 3HG2 THR 101 HG23 THR 101 14.073 3.752 6.010 777 H PHE 102 H PHE 102 12.155 7.808 8.155 778 HA PHE 102 HA PHE 102 10.822 6.373 10.140 779 1HB PHE 102 HB2 PHE 102 9.962 8.660 10.850 780 2HB PHE 102 HB1 PHE 102 11.709 8.492 10.728 781 HD1 PHE 102 HD1 PHE 102 12.930 9.992 9.455 782 HD2 PHE 102 HD2 PHE 102 8.736 9.734 8.836 783 HE1 PHE 102 HE1 PHE 102 13.039 11.946 7.967 784 HE2 PHE 102 HE2 PHE 102 8.835 11.684 7.342 785 HZ PHE 102 HZ PHE 102 10.983 12.794 6.906 Start of MODEL 16 1 HA MET 1 HA MET 1 -28.409 -1.901 -4.177 2 1HB MET 1 HB2 MET 1 -28.111 -3.602 -1.698 3 2HB MET 1 HB1 MET 1 -26.885 -2.496 -2.282 4 1HG MET 1 HG2 MET 1 -28.465 -0.629 -1.978 5 2HG MET 1 HG1 MET 1 -29.636 -1.768 -1.307 6 1HE MET 1 HE1 MET 1 -27.706 -3.731 0.380 7 2HE MET 1 HE2 MET 1 -29.255 -3.120 0.942 8 3HE MET 1 HE3 MET 1 -27.825 -2.971 1.967 9 H ALA 2 H ALA 2 -27.003 -2.464 -5.634 10 HA ALA 2 HA ALA 2 -26.091 -5.232 -5.661 11 1HB ALA 2 HB1 ALA 2 -26.733 -3.517 -8.065 12 2HB ALA 2 HB2 ALA 2 -27.672 -4.899 -7.499 13 3HB ALA 2 HB3 ALA 2 -26.035 -5.136 -8.111 14 H HIS 3 H HIS 3 -24.087 -4.987 -4.851 15 HA HIS 3 HA HIS 3 -22.614 -2.656 -5.633 16 1HB HIS 3 HB2 HIS 3 -20.860 -3.323 -4.010 17 2HB HIS 3 HB1 HIS 3 -22.435 -3.222 -3.258 18 HD1 HIS 3 HD1 HIS 3 -23.514 -5.597 -2.543 19 HD2 HIS 3 HD2 HIS 3 -19.553 -5.683 -3.785 20 HE1 HIS 3 HE1 HIS 3 -22.591 -7.793 -1.767 21 H HIS 4 H HIS 4 -22.044 -2.705 -7.533 22 HA HIS 4 HA HIS 4 -21.246 -4.975 -9.021 23 1HB HIS 4 HB2 HIS 4 -20.713 -3.362 -10.819 24 2HB HIS 4 HB1 HIS 4 -22.298 -3.074 -10.116 25 HD1 HIS 4 HD1 HIS 4 -19.058 -1.396 -10.796 26 HD2 HIS 4 HD2 HIS 4 -22.414 -0.752 -8.422 27 HE1 HIS 4 HE1 HIS 4 -18.937 0.992 -10.044 28 H HIS 5 H HIS 5 -19.546 -3.704 -6.640 29 HA HIS 5 HA HIS 5 -17.013 -3.180 -7.825 30 1HB HIS 5 HB2 HIS 5 -17.593 -3.866 -4.939 31 2HB HIS 5 HB1 HIS 5 -16.123 -3.127 -5.554 32 HD1 HIS 5 HD1 HIS 5 -17.206 -0.806 -7.238 33 HD2 HIS 5 HD2 HIS 5 -18.852 -1.956 -3.600 34 HE1 HIS 5 HE1 HIS 5 -18.513 1.174 -6.393 35 H HIS 6 H HIS 6 -18.604 -6.065 -6.769 36 HA HIS 6 HA HIS 6 -16.138 -7.567 -6.810 37 1HB HIS 6 HB2 HIS 6 -17.544 -9.569 -6.326 38 2HB HIS 6 HB1 HIS 6 -17.769 -8.285 -5.157 39 HD1 HIS 6 HD1 HIS 6 -20.208 -8.017 -4.520 40 HD2 HIS 6 HD2 HIS 6 -19.762 -9.456 -8.402 41 HE1 HIS 6 HE1 HIS 6 -22.506 -8.407 -5.378 42 H HIS 7 H HIS 7 -18.518 -6.633 -9.033 43 HA HIS 7 HA HIS 7 -17.772 -8.785 -10.857 44 1HB HIS 7 HB2 HIS 7 -20.233 -8.347 -10.398 45 2HB HIS 7 HB1 HIS 7 -20.034 -6.788 -11.186 46 HD1 HIS 7 HD1 HIS 7 -20.905 -6.906 -13.566 47 HD2 HIS 7 HD2 HIS 7 -19.163 -10.468 -12.314 48 HE1 HIS 7 HE1 HIS 7 -21.117 -8.496 -15.483 49 H HIS 8 H HIS 8 -16.018 -8.240 -11.876 50 HA HIS 8 HA HIS 8 -14.454 -7.194 -13.049 51 1HB HIS 8 HB2 HIS 8 -16.643 -5.235 -13.863 52 2HB HIS 8 HB1 HIS 8 -15.039 -5.299 -14.571 53 HD1 HIS 8 HD1 HIS 8 -14.940 -6.622 -16.722 54 HD2 HIS 8 HD2 HIS 8 -18.089 -7.792 -14.284 55 HE1 HIS 8 HE1 HIS 8 -16.260 -8.295 -18.045 56 H ASN 9 H ASN 9 -13.397 -6.767 -11.149 57 HA ASN 9 HA ASN 9 -13.702 -4.078 -10.050 58 1HB ASN 9 HB2 ASN 9 -13.553 -6.076 -8.503 59 2HB ASN 9 HB1 ASN 9 -11.896 -6.302 -9.055 60 1HD2 ASN 9 HD21 ASN 9 -14.033 -4.468 -7.122 61 2HD2 ASN 9 HD22 ASN 9 -12.874 -3.509 -6.279 62 H GLN 10 H GLN 10 -12.856 -3.010 -11.802 63 HA GLN 10 HA GLN 10 -9.963 -3.346 -12.217 64 1HB GLN 10 HB2 GLN 10 -11.347 -3.982 -14.164 65 2HB GLN 10 HB1 GLN 10 -12.078 -2.391 -14.155 66 1HG GLN 10 HG2 GLN 10 -9.953 -1.380 -14.730 67 2HG GLN 10 HG1 GLN 10 -9.169 -2.956 -14.657 68 1HE2 GLN 10 HE21 GLN 10 -9.464 -1.048 -16.852 69 2HE2 GLN 10 HE22 GLN 10 -10.177 -1.949 -18.144 70 H GLN 11 H GLN 11 -12.323 -1.415 -10.921 71 HA GLN 11 HA GLN 11 -11.239 1.131 -11.614 72 1HB GLN 11 HB2 GLN 11 -13.628 0.895 -11.104 73 2HB GLN 11 HB1 GLN 11 -13.233 0.379 -9.471 74 1HG GLN 11 HG2 GLN 11 -12.211 2.587 -9.058 75 2HG GLN 11 HG1 GLN 11 -12.698 3.088 -10.674 76 1HE2 GLN 11 HE21 GLN 11 -13.748 2.349 -7.478 77 2HE2 GLN 11 HE22 GLN 11 -15.341 2.967 -7.628 78 H ASN 12 H ASN 12 -9.167 1.186 -11.019 79 HA ASN 12 HA ASN 12 -8.406 0.717 -8.281 80 1HB ASN 12 HB2 ASN 12 -6.877 1.777 -10.676 81 2HB ASN 12 HB1 ASN 12 -6.178 1.694 -9.071 82 1HD2 ASN 12 HD21 ASN 12 -7.273 -0.130 -11.810 83 2HD2 ASN 12 HD22 ASN 12 -6.535 -1.620 -11.345 84 H LYS 13 H LYS 13 -9.355 2.077 -6.996 85 HA LYS 13 HA LYS 13 -10.297 4.611 -7.542 86 1HB LYS 13 HB2 LYS 13 -10.472 4.965 -5.123 87 2HB LYS 13 HB1 LYS 13 -11.106 3.416 -5.646 88 1HG LYS 13 HG2 LYS 13 -9.198 2.251 -4.788 89 2HG LYS 13 HG1 LYS 13 -8.367 3.761 -4.436 90 1HD LYS 13 HD2 LYS 13 -10.982 2.953 -3.162 91 2HD LYS 13 HD1 LYS 13 -9.404 2.639 -2.434 92 1HE LYS 13 HE2 LYS 13 -8.935 5.042 -2.420 93 2HE LYS 13 HE1 LYS 13 -10.494 5.354 -3.171 94 1HZ LYS 13 HZ1 LYS 13 -10.332 5.697 -0.749 95 2HZ LYS 13 HZ2 LYS 13 -10.250 4.021 -0.529 96 3HZ LYS 13 HZ3 LYS 13 -11.617 4.731 -1.225 97 H LYS 14 H LYS 14 -7.111 3.710 -6.663 98 HA LYS 14 HA LYS 14 -5.158 4.779 -6.750 99 1HB LYS 14 HB2 LYS 14 -6.364 6.454 -8.405 100 2HB LYS 14 HB1 LYS 14 -6.458 7.517 -7.018 101 1HG LYS 14 HG2 LYS 14 -3.909 6.460 -8.262 102 2HG LYS 14 HG1 LYS 14 -4.572 8.076 -8.486 103 1HD LYS 14 HD2 LYS 14 -4.233 8.589 -6.171 104 2HD LYS 14 HD1 LYS 14 -3.775 6.927 -5.831 105 1HE LYS 14 HE2 LYS 14 -1.793 8.213 -5.912 106 2HE LYS 14 HE1 LYS 14 -1.846 7.225 -7.365 107 1HZ LYS 14 HZ1 LYS 14 -1.130 9.504 -7.741 108 2HZ LYS 14 HZ2 LYS 14 -2.595 10.094 -7.205 109 3HZ LYS 14 HZ3 LYS 14 -2.532 9.178 -8.630 110 H VAL 15 H VAL 15 -4.065 4.832 -5.055 111 HA VAL 15 HA VAL 15 -4.820 5.019 -2.487 112 HB VAL 15 HB VAL 15 -2.667 4.251 -3.644 113 1HG1 VAL 15 HG11 VAL 15 -0.730 5.731 -3.374 114 2HG1 VAL 15 HG12 VAL 15 -1.854 7.044 -3.064 115 3HG1 VAL 15 HG13 VAL 15 -1.878 6.219 -4.633 116 1HG2 VAL 15 HG21 VAL 15 -1.357 4.303 -1.585 117 2HG2 VAL 15 HG22 VAL 15 -3.050 3.929 -1.251 118 3HG2 VAL 15 HG23 VAL 15 -2.424 5.543 -0.945 119 H GLU 16 H GLU 16 -5.383 6.623 -1.107 120 HA GLU 16 HA GLU 16 -5.245 9.397 -2.019 121 1HB GLU 16 HB2 GLU 16 -6.699 8.223 0.354 122 2HB GLU 16 HB1 GLU 16 -6.964 9.802 -0.379 123 1HG GLU 16 HG2 GLU 16 -7.809 8.791 -2.382 124 2HG GLU 16 HG1 GLU 16 -7.359 7.196 -1.783 125 H GLY 17 H GLY 17 -5.053 8.136 1.279 126 1HA GLY 17 HA2 GLY 17 -2.442 9.419 1.499 127 2HA GLY 17 HA1 GLY 17 -3.725 10.057 2.526 128 H GLY 18 H GLY 18 -4.317 6.881 2.190 129 1HA GLY 18 HA2 GLY 18 -2.818 6.229 4.631 130 2HA GLY 18 HA1 GLY 18 -4.420 5.616 4.243 131 H TYR 19 H TYR 19 -3.598 3.460 4.510 132 HA TYR 19 HA TYR 19 -1.653 2.654 2.483 133 1HB TYR 19 HB2 TYR 19 -2.655 1.056 4.830 134 2HB TYR 19 HB1 TYR 19 -1.186 0.772 3.887 135 HD1 TYR 19 HD1 TYR 19 0.442 2.928 3.858 136 HD2 TYR 19 HD2 TYR 19 -2.413 2.034 6.882 137 HE1 TYR 19 HE1 TYR 19 1.602 4.432 5.415 138 HE2 TYR 19 HE2 TYR 19 -1.273 3.508 8.417 139 HH TYR 19 HH TYR 19 0.728 4.595 8.768 140 H GLU 20 H GLU 20 -2.458 2.087 0.710 141 HA GLU 20 HA GLU 20 -5.079 0.915 0.378 142 1HB GLU 20 HB2 GLU 20 -4.272 2.492 -1.251 143 2HB GLU 20 HB1 GLU 20 -2.800 1.554 -1.523 144 1HG GLU 20 HG2 GLU 20 -4.423 -0.273 -2.333 145 2HG GLU 20 HG1 GLU 20 -5.626 1.009 -2.379 146 H CYS 21 H CYS 21 -5.307 -1.128 0.715 147 HA CYS 21 HA CYS 21 -3.302 -3.134 0.869 148 1HB CYS 21 HB2 CYS 21 -6.203 -3.283 0.179 149 2HB CYS 21 HB1 CYS 21 -5.213 -4.736 0.279 150 H LYS 22 H LYS 22 -2.270 -4.357 -0.749 151 HA LYS 22 HA LYS 22 -2.732 -3.915 -3.537 152 1HB LYS 22 HB2 LYS 22 -0.584 -4.638 -2.582 153 2HB LYS 22 HB1 LYS 22 -1.302 -6.164 -2.078 154 1HG LYS 22 HG2 LYS 22 -1.842 -6.150 -4.752 155 2HG LYS 22 HG1 LYS 22 -0.307 -5.283 -4.709 156 1HD LYS 22 HD2 LYS 22 0.157 -7.629 -5.022 157 2HD LYS 22 HD1 LYS 22 0.636 -7.202 -3.378 158 1HE LYS 22 HE2 LYS 22 -1.368 -8.164 -2.471 159 2HE LYS 22 HE1 LYS 22 -2.041 -8.400 -4.079 160 1HZ LYS 22 HZ1 LYS 22 -1.255 -10.438 -3.165 161 2HZ LYS 22 HZ2 LYS 22 0.326 -9.883 -2.958 162 3HZ LYS 22 HZ3 LYS 22 -0.352 -10.047 -4.504 163 H TYR 23 H TYR 23 -4.342 -5.633 -1.155 164 HA TYR 23 HA TYR 23 -4.834 -8.070 -2.672 165 1HB TYR 23 HB2 TYR 23 -5.839 -7.606 0.091 166 2HB TYR 23 HB1 TYR 23 -5.236 -9.083 -0.647 167 HD1 TYR 23 HD1 TYR 23 -4.463 -6.353 1.496 168 HD2 TYR 23 HD2 TYR 23 -2.707 -9.175 -1.118 169 HE1 TYR 23 HE1 TYR 23 -2.299 -5.966 2.574 170 HE2 TYR 23 HE2 TYR 23 -0.520 -8.806 -0.036 171 HH TYR 23 HH TYR 23 -0.168 -7.186 2.883 172 H CYS 24 H CYS 24 -6.282 -5.251 -1.651 173 HA CYS 24 HA CYS 24 -8.845 -5.951 -2.755 174 1HB CYS 24 HB2 CYS 24 -10.076 -5.430 -0.657 175 2HB CYS 24 HB1 CYS 24 -8.973 -6.806 -0.494 176 H THR 25 H THR 25 -10.113 -3.985 -3.115 177 HA THR 25 HA THR 25 -8.361 -1.701 -3.240 178 HB THR 25 HB THR 25 -11.226 -1.924 -4.222 179 HG1 THR 25 HG1 THR 25 -9.360 -3.348 -5.042 180 1HG2 THR 25 HG21 THR 25 -10.378 0.383 -4.003 181 2HG2 THR 25 HG22 THR 25 -10.582 -0.059 -5.699 182 3HG2 THR 25 HG23 THR 25 -8.972 -0.050 -4.976 183 H PHE 26 H PHE 26 -8.237 -1.620 -0.968 184 HA PHE 26 HA PHE 26 -10.212 0.143 0.197 185 1HB PHE 26 HB2 PHE 26 -10.987 -2.092 0.894 186 2HB PHE 26 HB1 PHE 26 -9.378 -2.476 1.485 187 HD1 PHE 26 HD1 PHE 26 -8.750 -1.931 3.691 188 HD2 PHE 26 HD2 PHE 26 -12.269 -0.210 2.020 189 HE1 PHE 26 HE1 PHE 26 -9.344 -1.025 5.894 190 HE2 PHE 26 HE2 PHE 26 -12.866 0.702 4.225 191 HZ PHE 26 HZ PHE 26 -11.406 0.294 6.165 192 H GLN 27 H GLN 27 -9.297 1.501 1.642 193 HA GLN 27 HA GLN 27 -6.508 1.115 2.282 194 1HB GLN 27 HB2 GLN 27 -6.082 2.648 0.632 195 2HB GLN 27 HB1 GLN 27 -7.724 3.265 0.679 196 1HG GLN 27 HG2 GLN 27 -7.227 4.650 2.577 197 2HG GLN 27 HG1 GLN 27 -5.697 3.789 2.746 198 1HE2 GLN 27 HE21 GLN 27 -4.588 3.831 0.595 199 2HE2 GLN 27 HE22 GLN 27 -4.215 5.355 -0.098 200 H THR 28 H THR 28 -5.908 1.904 4.183 201 HA THR 28 HA THR 28 -7.668 3.632 5.660 202 HB THR 28 HB THR 28 -8.337 1.420 6.513 203 HG1 THR 28 HG1 THR 28 -8.471 2.562 8.255 204 1HG2 THR 28 HG21 THR 28 -6.255 0.169 5.992 205 2HG2 THR 28 HG22 THR 28 -6.748 -0.047 7.675 206 3HG2 THR 28 HG23 THR 28 -5.436 1.047 7.284 207 HA PRO 29 HA PRO 29 -3.635 5.403 6.286 208 1HB PRO 29 HB2 PRO 29 -4.502 7.538 7.760 209 2HB PRO 29 HB1 PRO 29 -4.524 7.471 5.995 210 1HG PRO 29 HG2 PRO 29 -6.748 7.063 7.932 211 2HG PRO 29 HG1 PRO 29 -6.752 7.820 6.324 212 1HD PRO 29 HD2 PRO 29 -7.673 5.283 6.802 213 2HD PRO 29 HD1 PRO 29 -7.004 5.809 5.240 214 H ASP 30 H ASP 30 -5.625 4.018 8.583 215 HA ASP 30 HA ASP 30 -3.740 4.523 10.751 216 1HB ASP 30 HB2 ASP 30 -6.357 3.039 10.635 217 2HB ASP 30 HB1 ASP 30 -5.290 2.937 12.032 218 H LEU 31 H LEU 31 -1.984 3.333 10.792 219 HA LEU 31 HA LEU 31 -1.458 1.072 9.295 220 1HB LEU 31 HB2 LEU 31 0.041 2.754 10.702 221 2HB LEU 31 HB1 LEU 31 -0.131 1.526 11.934 222 HG LEU 31 HG LEU 31 1.970 1.156 10.851 223 1HD1 LEU 31 HD11 LEU 31 1.767 -1.054 9.865 224 2HD1 LEU 31 HD12 LEU 31 0.030 -0.777 9.691 225 3HD1 LEU 31 HD13 LEU 31 0.739 -0.901 11.307 226 1HD2 LEU 31 HD21 LEU 31 2.187 0.852 8.435 227 2HD2 LEU 31 HD22 LEU 31 1.543 2.449 8.878 228 3HD2 LEU 31 HD23 LEU 31 0.457 1.203 8.283 229 H ASN 32 H ASN 32 -2.618 1.503 12.643 230 HA ASN 32 HA ASN 32 -2.473 -1.075 13.600 231 1HB ASN 32 HB2 ASN 32 -3.180 1.198 14.751 232 2HB ASN 32 HB1 ASN 32 -4.765 0.707 14.135 233 1HD2 ASN 32 HD21 ASN 32 -4.408 -2.142 14.603 234 2HD2 ASN 32 HD22 ASN 32 -4.456 -2.339 16.298 235 H MET 33 H MET 33 -4.956 0.597 11.756 236 HA MET 33 HA MET 33 -6.752 -1.640 11.823 237 1HB MET 33 HB2 MET 33 -6.818 0.835 10.110 238 2HB MET 33 HB1 MET 33 -8.104 -0.354 10.220 239 1HG MET 33 HG2 MET 33 -7.031 1.334 12.403 240 2HG MET 33 HG1 MET 33 -8.565 1.613 11.560 241 1HE MET 33 HE1 MET 33 -10.536 -1.690 12.691 242 2HE MET 33 HE2 MET 33 -9.432 -1.602 11.326 243 3HE MET 33 HE3 MET 33 -10.571 -0.285 11.623 244 H PHE 34 H PHE 34 -4.445 -0.264 9.634 245 HA PHE 34 HA PHE 34 -5.028 -1.838 7.405 246 1HB PHE 34 HB2 PHE 34 -3.578 0.049 7.134 247 2HB PHE 34 HB1 PHE 34 -2.448 -0.565 8.313 248 HD1 PHE 34 HD1 PHE 34 -3.860 -1.288 4.882 249 HD2 PHE 34 HD2 PHE 34 -0.695 -1.939 7.694 250 HE1 PHE 34 HE1 PHE 34 -2.562 -2.402 3.153 251 HE2 PHE 34 HE2 PHE 34 0.619 -3.066 5.921 252 HZ PHE 34 HZ PHE 34 -0.324 -3.293 3.656 253 H THR 35 H THR 35 -2.586 -2.364 9.911 254 HA THR 35 HA THR 35 -1.887 -4.882 8.831 255 HB THR 35 HB THR 35 -0.196 -3.735 10.133 256 HG1 THR 35 HG1 THR 35 -0.357 -6.100 10.191 257 1HG2 THR 35 HG21 THR 35 -0.370 -3.491 12.584 258 2HG2 THR 35 HG22 THR 35 -2.048 -4.057 12.499 259 3HG2 THR 35 HG23 THR 35 -1.566 -2.557 11.687 260 H PHE 36 H PHE 36 -4.267 -3.886 11.104 261 HA PHE 36 HA PHE 36 -4.901 -6.459 12.099 262 1HB PHE 36 HB2 PHE 36 -5.723 -4.744 13.401 263 2HB PHE 36 HB1 PHE 36 -6.314 -3.794 12.057 264 HD1 PHE 36 HD1 PHE 36 -8.578 -3.818 11.639 265 HD2 PHE 36 HD2 PHE 36 -6.841 -7.056 13.740 266 HE1 PHE 36 HE1 PHE 36 -10.836 -4.747 12.037 267 HE2 PHE 36 HE2 PHE 36 -9.084 -8.004 14.166 268 HZ PHE 36 HZ PHE 36 -11.085 -6.845 13.306 269 H HIS 37 H HIS 37 -6.428 -4.432 9.641 270 HA HIS 37 HA HIS 37 -8.256 -6.290 8.671 271 1HB HIS 37 HB2 HIS 37 -8.649 -4.062 8.139 272 2HB HIS 37 HB1 HIS 37 -7.006 -3.760 7.643 273 HD1 HIS 37 HD1 HIS 37 -10.321 -5.006 6.397 274 HD2 HIS 37 HD2 HIS 37 -6.492 -4.288 4.978 275 HE1 HIS 37 HE1 HIS 37 -10.504 -5.066 3.878 276 H VAL 38 H VAL 38 -4.900 -5.812 7.956 277 HA VAL 38 HA VAL 38 -4.893 -7.622 5.772 278 HB VAL 38 HB VAL 38 -2.717 -6.384 7.417 279 1HG1 VAL 38 HG11 VAL 38 -2.379 -8.260 5.035 280 2HG1 VAL 38 HG12 VAL 38 -1.926 -8.636 6.696 281 3HG1 VAL 38 HG13 VAL 38 -1.066 -7.373 5.814 282 1HG2 VAL 38 HG21 VAL 38 -3.527 -6.087 4.532 283 2HG2 VAL 38 HG22 VAL 38 -2.179 -5.243 5.300 284 3HG2 VAL 38 HG23 VAL 38 -3.833 -4.950 5.843 285 H ASP 39 H ASP 39 -3.824 -7.900 9.181 286 HA ASP 39 HA ASP 39 -2.984 -10.576 8.889 287 1HB ASP 39 HB2 ASP 39 -2.212 -9.146 10.719 288 2HB ASP 39 HB1 ASP 39 -3.842 -9.069 11.367 289 H SER 40 H SER 40 -6.013 -9.138 9.415 290 HA SER 40 HA SER 40 -7.288 -11.586 10.264 291 1HB SER 40 HB2 SER 40 -7.987 -9.387 11.156 292 2HB SER 40 HB1 SER 40 -8.496 -8.917 9.544 293 HG SER 40 HG SER 40 -10.128 -10.336 9.594 294 H GLU 41 H GLU 41 -7.306 -9.539 7.328 295 HA GLU 41 HA GLU 41 -9.212 -11.466 6.190 296 1HB GLU 41 HB2 GLU 41 -8.495 -8.746 5.101 297 2HB GLU 41 HB1 GLU 41 -9.798 -9.792 4.556 298 1HG GLU 41 HG2 GLU 41 -9.592 -8.421 7.235 299 2HG GLU 41 HG1 GLU 41 -10.671 -7.986 5.917 300 H HIS 42 H HIS 42 -5.992 -10.200 5.647 301 HA HIS 42 HA HIS 42 -5.567 -12.201 3.571 302 1HB HIS 42 HB2 HIS 42 -4.177 -9.773 2.804 303 2HB HIS 42 HB1 HIS 42 -5.221 -10.753 1.815 304 HD1 HIS 42 HD1 HIS 42 -7.766 -9.901 1.652 305 HD2 HIS 42 HD2 HIS 42 -5.162 -7.377 3.696 306 HE1 HIS 42 HE1 HIS 42 -8.924 -7.691 1.784 307 HA PRO 43 HA PRO 43 -2.327 -11.448 6.931 308 1HB PRO 43 HB2 PRO 43 -1.914 -14.080 7.594 309 2HB PRO 43 HB1 PRO 43 -3.161 -13.052 8.326 310 1HG PRO 43 HG2 PRO 43 -3.425 -15.018 6.088 311 2HG PRO 43 HG1 PRO 43 -4.468 -14.811 7.506 312 1HD PRO 43 HD2 PRO 43 -5.147 -13.801 5.125 313 2HD PRO 43 HD1 PRO 43 -5.482 -12.911 6.627 314 H ASN 44 H ASN 44 -2.287 -14.082 4.585 315 HA ASN 44 HA ASN 44 0.154 -13.044 3.563 316 1HB ASN 44 HB2 ASN 44 1.273 -15.304 3.464 317 2HB ASN 44 HB1 ASN 44 1.152 -14.628 5.066 318 1HD2 ASN 44 HD21 ASN 44 -1.521 -16.335 3.447 319 2HD2 ASN 44 HD22 ASN 44 -1.503 -17.681 4.519 320 H VAL 45 H VAL 45 0.289 -13.218 1.462 321 HA VAL 45 HA VAL 45 -1.824 -14.741 0.078 322 HB VAL 45 HB VAL 45 -2.130 -12.809 -1.469 323 1HG1 VAL 45 HG11 VAL 45 -3.504 -11.457 0.015 324 2HG1 VAL 45 HG12 VAL 45 -2.735 -12.237 1.410 325 3HG1 VAL 45 HG13 VAL 45 -3.722 -13.191 0.290 326 1HG2 VAL 45 HG21 VAL 45 -1.355 -10.603 -0.790 327 2HG2 VAL 45 HG22 VAL 45 -0.003 -11.706 -1.043 328 3HG2 VAL 45 HG23 VAL 45 -0.526 -11.312 0.592 329 H VAL 46 H VAL 46 -1.378 -14.378 -2.393 330 HA VAL 46 HA VAL 46 1.455 -14.324 -2.837 331 HB VAL 46 HB VAL 46 0.678 -16.700 -2.621 332 1HG1 VAL 46 HG11 VAL 46 -0.968 -16.141 -5.058 333 2HG1 VAL 46 HG12 VAL 46 -1.549 -16.500 -3.432 334 3HG1 VAL 46 HG13 VAL 46 -0.686 -17.733 -4.353 335 1HG2 VAL 46 HG21 VAL 46 1.717 -17.606 -4.657 336 2HG2 VAL 46 HG22 VAL 46 2.653 -16.280 -3.965 337 3HG2 VAL 46 HG23 VAL 46 1.644 -16.005 -5.388 338 H LEU 47 H LEU 47 1.799 -14.059 -5.415 339 HA LEU 47 HA LEU 47 -0.359 -13.403 -7.055 340 1HB LEU 47 HB2 LEU 47 -0.491 -11.371 -5.650 341 2HB LEU 47 HB1 LEU 47 1.159 -10.961 -6.058 342 HG LEU 47 HG LEU 47 0.424 -10.767 -8.453 343 1HD1 LEU 47 HD11 LEU 47 -1.971 -10.506 -8.897 344 2HD1 LEU 47 HD12 LEU 47 -2.325 -11.012 -7.247 345 3HD1 LEU 47 HD13 LEU 47 -1.568 -12.139 -8.370 346 1HD2 LEU 47 HD21 LEU 47 0.702 -8.792 -7.047 347 2HD2 LEU 47 HD22 LEU 47 -0.957 -8.965 -6.471 348 3HD2 LEU 47 HD23 LEU 47 -0.646 -8.586 -8.164 349 H ASN 48 H ASN 48 2.511 -11.412 -7.164 350 HA ASN 48 HA ASN 48 4.283 -13.050 -8.475 351 1HB ASN 48 HB2 ASN 48 2.681 -13.181 -10.345 352 2HB ASN 48 HB1 ASN 48 2.600 -11.427 -10.424 353 1HD2 ASN 48 HD21 ASN 48 4.582 -14.239 -11.061 354 2HD2 ASN 48 HD22 ASN 48 5.688 -13.444 -12.108 355 H SER 49 H SER 49 3.221 -9.697 -9.328 356 HA SER 49 HA SER 49 5.698 -8.795 -8.062 357 1HB SER 49 HB2 SER 49 4.704 -7.941 -10.785 358 2HB SER 49 HB1 SER 49 6.116 -7.295 -9.954 359 HG SER 49 HG SER 49 5.707 -9.925 -10.933 360 H SER 50 H SER 50 5.489 -6.982 -6.848 361 HA SER 50 HA SER 50 3.666 -4.925 -7.377 362 1HB SER 50 HB2 SER 50 2.064 -6.524 -6.292 363 2HB SER 50 HB1 SER 50 3.177 -6.684 -4.939 364 HG SER 50 HG SER 50 1.459 -4.539 -5.548 365 H TYR 51 H TYR 51 3.844 -3.458 -5.307 366 HA TYR 51 HA TYR 51 6.637 -3.509 -4.446 367 1HB TYR 51 HB2 TYR 51 4.990 -1.241 -5.473 368 2HB TYR 51 HB1 TYR 51 6.354 -0.997 -4.407 369 HD1 TYR 51 HD1 TYR 51 6.474 -3.532 -7.115 370 HD2 TYR 51 HD2 TYR 51 7.491 0.420 -5.939 371 HE1 TYR 51 HE1 TYR 51 7.918 -3.323 -9.090 372 HE2 TYR 51 HE2 TYR 51 8.954 0.634 -7.903 373 HH TYR 51 HH TYR 51 10.144 -0.769 -9.485 374 H VAL 52 H VAL 52 6.969 -2.801 -2.413 375 HA VAL 52 HA VAL 52 4.624 -2.089 -0.816 376 HB VAL 52 HB VAL 52 5.055 -4.494 -0.508 377 1HG1 VAL 52 HG11 VAL 52 7.745 -3.685 0.483 378 2HG1 VAL 52 HG12 VAL 52 7.387 -4.501 -1.043 379 3HG1 VAL 52 HG13 VAL 52 7.063 -5.314 0.484 380 1HG2 VAL 52 HG21 VAL 52 4.240 -3.330 1.421 381 2HG2 VAL 52 HG22 VAL 52 5.893 -2.937 1.910 382 3HG2 VAL 52 HG23 VAL 52 5.345 -4.615 1.897 383 H CYS 53 H CYS 53 5.006 -0.515 0.604 384 HA CYS 53 HA CYS 53 7.629 0.810 0.623 385 1HB CYS 53 HB2 CYS 53 5.678 2.243 0.705 386 2HB CYS 53 HB1 CYS 53 5.013 1.353 2.060 387 H VAL 54 H VAL 54 9.080 -0.503 1.656 388 HA VAL 54 HA VAL 54 8.565 -2.340 3.641 389 HB VAL 54 HB VAL 54 11.109 -1.066 4.115 390 1HG1 VAL 54 HG11 VAL 54 11.971 -3.177 3.596 391 2HG1 VAL 54 HG12 VAL 54 10.465 -3.611 2.810 392 3HG1 VAL 54 HG13 VAL 54 10.502 -3.405 4.589 393 1HG2 VAL 54 HG21 VAL 54 10.421 -1.683 1.266 394 2HG2 VAL 54 HG22 VAL 54 12.073 -1.624 1.868 395 3HG2 VAL 54 HG23 VAL 54 11.049 -0.193 1.942 396 H GLU 55 H GLU 55 9.124 1.046 3.841 397 HA GLU 55 HA GLU 55 9.684 1.422 6.510 398 1HB GLU 55 HB2 GLU 55 7.993 3.271 4.835 399 2HB GLU 55 HB1 GLU 55 9.027 3.705 6.185 400 1HG GLU 55 HG2 GLU 55 10.010 2.633 3.542 401 2HG GLU 55 HG1 GLU 55 9.949 4.329 3.983 402 H CYS 56 H CYS 56 6.677 1.181 4.788 403 HA CYS 56 HA CYS 56 5.085 1.370 7.321 404 1HB CYS 56 HB2 CYS 56 4.030 1.237 4.512 405 2HB CYS 56 HB1 CYS 56 3.187 1.824 5.949 406 H ASN 57 H ASN 57 6.328 -0.808 5.163 407 HA ASN 57 HA ASN 57 6.026 -2.889 4.415 408 1HB ASN 57 HB2 ASN 57 5.945 -3.117 7.189 409 2HB ASN 57 HB1 ASN 57 4.434 -3.832 6.633 410 1HD2 ASN 57 HD21 ASN 57 7.217 -3.946 4.811 411 2HD2 ASN 57 HD22 ASN 57 7.374 -5.675 4.912 412 H PHE 58 H PHE 58 4.372 -1.368 3.223 413 HA PHE 58 HA PHE 58 1.804 -2.672 3.487 414 1HB PHE 58 HB2 PHE 58 0.590 -0.747 3.671 415 2HB PHE 58 HB1 PHE 58 2.117 -0.016 4.115 416 HD1 PHE 58 HD1 PHE 58 3.216 1.537 2.592 417 HD2 PHE 58 HD2 PHE 58 -0.386 -0.389 1.486 418 HE1 PHE 58 HE1 PHE 58 2.936 3.138 0.682 419 HE2 PHE 58 HE2 PHE 58 -0.663 1.228 -0.384 420 HZ PHE 58 HZ PHE 58 1.017 2.957 -0.763 421 H LEU 59 H LEU 59 1.088 -3.576 1.696 422 HA LEU 59 HA LEU 59 2.590 -3.224 -0.764 423 1HB LEU 59 HB2 LEU 59 1.014 -5.362 0.468 424 2HB LEU 59 HB1 LEU 59 0.779 -5.203 -1.250 425 HG LEU 59 HG LEU 59 3.474 -5.629 0.042 426 1HD1 LEU 59 HD11 LEU 59 1.971 -7.492 0.445 427 2HD1 LEU 59 HD12 LEU 59 3.125 -7.966 -0.817 428 3HD1 LEU 59 HD13 LEU 59 1.470 -7.470 -1.233 429 1HD2 LEU 59 HD21 LEU 59 2.529 -5.822 -2.845 430 2HD2 LEU 59 HD22 LEU 59 4.127 -6.233 -2.271 431 3HD2 LEU 59 HD23 LEU 59 3.576 -4.574 -2.185 432 H THR 60 H THR 60 1.604 -2.376 -2.558 433 HA THR 60 HA THR 60 -1.235 -1.668 -2.344 434 HB THR 60 HB THR 60 -0.258 0.398 -2.025 435 HG1 THR 60 HG1 THR 60 -1.596 0.609 -3.927 436 1HG2 THR 60 HG21 THR 60 1.823 1.193 -3.077 437 2HG2 THR 60 HG22 THR 60 1.918 -0.317 -3.982 438 3HG2 THR 60 HG23 THR 60 2.026 -0.327 -2.224 439 H LYS 61 H LYS 61 -2.243 -1.279 -4.532 440 HA LYS 61 HA LYS 61 -1.105 -3.308 -6.273 441 1HB LYS 61 HB2 LYS 61 -3.312 -3.626 -7.219 442 2HB LYS 61 HB1 LYS 61 -3.380 -3.786 -5.483 443 1HG LYS 61 HG2 LYS 61 -4.215 -1.369 -5.462 444 2HG LYS 61 HG1 LYS 61 -4.425 -1.564 -7.204 445 1HD LYS 61 HD2 LYS 61 -5.743 -3.185 -5.014 446 2HD LYS 61 HD1 LYS 61 -6.523 -2.052 -6.110 447 1HE LYS 61 HE2 LYS 61 -5.199 -4.654 -6.924 448 2HE LYS 61 HE1 LYS 61 -6.924 -4.409 -6.711 449 1HZ LYS 61 HZ1 LYS 61 -6.235 -4.307 -9.035 450 2HZ LYS 61 HZ2 LYS 61 -5.271 -2.953 -8.726 451 3HZ LYS 61 HZ3 LYS 61 -6.932 -2.870 -8.531 452 H ARG 62 H ARG 62 -0.631 -0.268 -5.994 453 HA ARG 62 HA ARG 62 -0.245 0.023 -8.855 454 1HB ARG 62 HB2 ARG 62 -0.863 2.405 -8.802 455 2HB ARG 62 HB1 ARG 62 -2.225 1.354 -8.478 456 1HG ARG 62 HG2 ARG 62 -2.170 1.901 -6.139 457 2HG ARG 62 HG1 ARG 62 -0.646 2.761 -6.342 458 1HD ARG 62 HD2 ARG 62 -2.590 4.272 -6.209 459 2HD ARG 62 HD1 ARG 62 -1.694 4.441 -7.703 460 HE ARG 62 HE ARG 62 -4.280 3.089 -7.380 461 1HH1 ARG 62 HH11 ARG 62 -1.820 4.399 -9.678 462 2HH1 ARG 62 HH12 ARG 62 -2.973 4.757 -10.848 463 1HH2 ARG 62 HH21 ARG 62 -5.840 3.621 -9.170 464 2HH2 ARG 62 HH22 ARG 62 -5.229 4.271 -10.604 465 H TYR 63 H TYR 63 1.587 1.018 -9.449 466 HA TYR 63 HA TYR 63 3.738 0.990 -7.619 467 1HB TYR 63 HB2 TYR 63 5.107 1.796 -9.485 468 2HB TYR 63 HB1 TYR 63 4.006 0.550 -10.053 469 HD1 TYR 63 HD1 TYR 63 4.944 4.057 -10.263 470 HD2 TYR 63 HD2 TYR 63 2.073 1.173 -11.499 471 HE1 TYR 63 HE1 TYR 63 4.125 5.617 -11.950 472 HE2 TYR 63 HE2 TYR 63 1.243 2.734 -13.210 473 HH TYR 63 HH TYR 63 1.197 5.138 -13.589 474 H ASP 64 H ASP 64 1.539 3.438 -8.636 475 HA ASP 64 HA ASP 64 2.922 5.826 -8.239 476 1HB ASP 64 HB2 ASP 64 0.030 5.395 -7.515 477 2HB ASP 64 HB1 ASP 64 0.801 6.908 -7.926 478 H ALA 65 H ALA 65 1.218 3.795 -5.970 479 HA ALA 65 HA ALA 65 1.040 5.664 -3.924 480 1HB ALA 65 HB1 ALA 65 0.533 3.735 -2.515 481 2HB ALA 65 HB2 ALA 65 1.051 2.677 -3.852 482 3HB ALA 65 HB3 ALA 65 -0.337 3.725 -4.046 483 H LEU 66 H LEU 66 3.634 3.680 -4.897 484 HA LEU 66 HA LEU 66 5.137 4.096 -2.459 485 1HB LEU 66 HB2 LEU 66 6.123 3.024 -5.069 486 2HB LEU 66 HB1 LEU 66 6.951 2.931 -3.529 487 HG LEU 66 HG LEU 66 6.165 0.814 -3.858 488 1HD1 LEU 66 HD11 LEU 66 5.660 1.559 -1.623 489 2HD1 LEU 66 HD12 LEU 66 4.450 0.402 -2.186 490 3HD1 LEU 66 HD13 LEU 66 4.077 2.126 -2.166 491 1HD2 LEU 66 HD21 LEU 66 4.757 1.200 -5.763 492 2HD2 LEU 66 HD22 LEU 66 3.547 1.980 -4.757 493 3HD2 LEU 66 HD23 LEU 66 3.860 0.252 -4.572 494 H SER 67 H SER 67 4.962 5.396 -5.664 495 HA SER 67 HA SER 67 7.442 6.869 -5.605 496 1HB SER 67 HB2 SER 67 5.009 6.687 -7.242 497 2HB SER 67 HB1 SER 67 6.207 7.927 -7.612 498 HG SER 67 HG SER 67 7.618 5.801 -7.458 499 H GLU 68 H GLU 68 4.059 7.636 -5.322 500 HA GLU 68 HA GLU 68 4.619 10.354 -4.706 501 1HB GLU 68 HB2 GLU 68 2.024 9.263 -3.872 502 2HB GLU 68 HB1 GLU 68 2.442 10.741 -4.720 503 1HG GLU 68 HG2 GLU 68 2.911 9.259 -6.726 504 2HG GLU 68 HG1 GLU 68 2.145 8.019 -5.812 505 H HIS 69 H HIS 69 4.543 7.462 -3.043 506 HA HIS 69 HA HIS 69 3.538 7.954 -0.564 507 1HB HIS 69 HB2 HIS 69 4.665 5.853 -1.482 508 2HB HIS 69 HB1 HIS 69 6.154 6.561 -0.823 509 HD1 HIS 69 HD1 HIS 69 2.746 5.377 0.273 510 HD2 HIS 69 HD2 HIS 69 6.517 6.135 1.713 511 HE1 HIS 69 HE1 HIS 69 2.707 4.596 2.679 512 H ASN 70 H ASN 70 6.996 8.522 -1.339 513 HA ASN 70 HA ASN 70 7.463 10.025 1.062 514 1HB ASN 70 HB2 ASN 70 9.636 10.574 -0.046 515 2HB ASN 70 HB1 ASN 70 9.312 8.858 0.148 516 1HD2 ASN 70 HD21 ASN 70 11.112 9.929 -1.507 517 2HD2 ASN 70 HD22 ASN 70 10.656 9.520 -3.165 518 H LEU 71 H LEU 71 6.061 10.827 -1.766 519 HA LEU 71 HA LEU 71 6.666 13.636 -1.688 520 1HB LEU 71 HB2 LEU 71 6.223 12.881 -3.844 521 2HB LEU 71 HB1 LEU 71 4.930 11.835 -3.316 522 HG LEU 71 HG LEU 71 3.485 13.713 -3.036 523 1HD1 LEU 71 HD11 LEU 71 5.792 15.325 -4.208 524 2HD1 LEU 71 HD12 LEU 71 5.120 15.506 -2.584 525 3HD1 LEU 71 HD13 LEU 71 4.158 15.946 -3.995 526 1HD2 LEU 71 HD21 LEU 71 3.450 12.536 -5.119 527 2HD2 LEU 71 HD22 LEU 71 4.757 13.526 -5.757 528 3HD2 LEU 71 HD23 LEU 71 3.183 14.250 -5.426 529 H LYS 72 H LYS 72 3.855 11.615 -0.942 530 HA LYS 72 HA LYS 72 2.660 13.892 0.458 531 1HB LYS 72 HB2 LYS 72 0.558 12.118 0.105 532 2HB LYS 72 HB1 LYS 72 0.848 13.550 -0.880 533 1HG LYS 72 HG2 LYS 72 2.354 11.985 -2.261 534 2HG LYS 72 HG1 LYS 72 1.556 10.691 -1.411 535 1HD LYS 72 HD2 LYS 72 0.131 12.756 -3.072 536 2HD LYS 72 HD1 LYS 72 0.646 11.175 -3.648 537 1HE LYS 72 HE2 LYS 72 -0.855 10.304 -1.624 538 2HE LYS 72 HE1 LYS 72 -1.547 11.881 -1.743 539 1HZ LYS 72 HZ1 LYS 72 -2.221 11.564 -3.937 540 2HZ LYS 72 HZ2 LYS 72 -2.654 10.140 -3.146 541 3HZ LYS 72 HZ3 LYS 72 -1.272 10.197 -4.133 542 H TYR 73 H TYR 73 3.298 10.568 0.777 543 HA TYR 73 HA TYR 73 2.001 10.254 3.357 544 1HB TYR 73 HB2 TYR 73 3.664 8.381 1.715 545 2HB TYR 73 HB1 TYR 73 2.869 7.898 3.215 546 HD1 TYR 73 HD1 TYR 73 2.086 9.486 -0.101 547 HD2 TYR 73 HD2 TYR 73 0.773 6.831 2.959 548 HE1 TYR 73 HE1 TYR 73 0.207 8.917 -1.424 549 HE2 TYR 73 HE2 TYR 73 -1.223 6.282 1.542 550 HH TYR 73 HH TYR 73 -2.465 7.682 -0.197 551 H HIS 74 H HIS 74 5.393 9.883 2.174 552 HA HIS 74 HA HIS 74 6.342 10.583 4.908 553 1HB HIS 74 HB2 HIS 74 7.718 8.924 2.772 554 2HB HIS 74 HB1 HIS 74 8.506 9.411 4.261 555 HD1 HIS 74 HD1 HIS 74 6.073 8.530 6.167 556 HD2 HIS 74 HD2 HIS 74 7.796 6.304 3.133 557 HE1 HIS 74 HE1 HIS 74 5.474 6.135 6.646 558 HA PRO 75 HA PRO 75 7.452 13.874 1.794 559 1HB PRO 75 HB2 PRO 75 6.660 16.005 3.187 560 2HB PRO 75 HB1 PRO 75 5.506 15.013 2.277 561 1HG PRO 75 HG2 PRO 75 6.171 14.898 5.212 562 2HG PRO 75 HG1 PRO 75 4.571 14.912 4.440 563 1HD PRO 75 HD2 PRO 75 5.743 12.601 5.254 564 2HD PRO 75 HD1 PRO 75 4.731 12.705 3.798 565 H GLY 76 H GLY 76 9.084 15.233 1.619 566 1HA GLY 76 HA2 GLY 76 10.542 16.730 3.259 567 2HA GLY 76 HA1 GLY 76 11.137 15.128 3.678 568 H GLU 77 H GLU 77 11.189 13.866 1.300 569 HA GLU 77 HA GLU 77 12.645 15.371 -0.669 570 1HB GLU 77 HB2 GLU 77 14.688 13.959 -0.469 571 2HB GLU 77 HB1 GLU 77 14.436 14.975 0.935 572 1HG GLU 77 HG2 GLU 77 14.876 13.087 2.088 573 2HG GLU 77 HG1 GLU 77 13.184 12.735 1.706 574 H GLU 78 H GLU 78 13.458 13.624 -2.372 575 HA GLU 78 HA GLU 78 11.466 11.476 -2.399 576 1HB GLU 78 HB2 GLU 78 10.728 13.347 -3.896 577 2HB GLU 78 HB1 GLU 78 12.243 13.111 -4.776 578 1HG GLU 78 HG2 GLU 78 11.569 10.831 -5.348 579 2HG GLU 78 HG1 GLU 78 10.060 11.044 -4.471 580 H ASN 79 H ASN 79 13.097 10.047 -1.775 581 HA ASN 79 HA ASN 79 14.801 9.142 -3.964 582 1HB ASN 79 HB2 ASN 79 15.703 9.844 -1.192 583 2HB ASN 79 HB1 ASN 79 16.728 8.949 -2.329 584 1HD2 ASN 79 HD21 ASN 79 15.338 11.876 -1.443 585 2HD2 ASN 79 HD22 ASN 79 16.053 13.001 -2.556 586 H PHE 80 H PHE 80 13.495 7.351 -4.031 587 HA PHE 80 HA PHE 80 13.435 5.625 -1.663 588 1HB PHE 80 HB2 PHE 80 11.593 6.098 -3.879 589 2HB PHE 80 HB1 PHE 80 11.916 4.400 -3.610 590 HD1 PHE 80 HD1 PHE 80 9.998 7.206 -2.583 591 HD2 PHE 80 HD2 PHE 80 11.573 3.530 -1.220 592 HE1 PHE 80 HE1 PHE 80 8.277 7.118 -0.811 593 HE2 PHE 80 HE2 PHE 80 9.859 3.418 0.507 594 HZ PHE 80 HZ PHE 80 8.196 5.210 0.715 595 H LYS 81 H LYS 81 14.171 3.534 -1.794 596 HA LYS 81 HA LYS 81 15.909 2.888 -4.088 597 1HB LYS 81 HB2 LYS 81 17.447 2.037 -2.554 598 2HB LYS 81 HB1 LYS 81 16.593 3.137 -1.479 599 1HG LYS 81 HG2 LYS 81 15.247 1.406 -0.603 600 2HG LYS 81 HG1 LYS 81 15.830 0.265 -1.802 601 1HD LYS 81 HD2 LYS 81 18.130 0.643 -0.798 602 2HD LYS 81 HD1 LYS 81 17.259 1.442 0.527 603 1HE LYS 81 HE2 LYS 81 15.872 -0.563 0.800 604 2HE LYS 81 HE1 LYS 81 16.795 -1.339 -0.479 605 1HZ LYS 81 HZ1 LYS 81 17.976 -0.385 2.078 606 2HZ LYS 81 HZ2 LYS 81 18.741 -1.349 0.919 607 3HZ LYS 81 HZ3 LYS 81 17.459 -1.954 1.822 608 H LEU 82 H LEU 82 15.931 0.320 -4.403 609 HA LEU 82 HA LEU 82 13.352 -0.735 -3.627 610 1HB LEU 82 HB2 LEU 82 12.952 -1.726 -5.821 611 2HB LEU 82 HB1 LEU 82 12.989 0.019 -5.904 612 HG LEU 82 HG LEU 82 15.406 -1.581 -6.571 613 1HD1 LEU 82 HD11 LEU 82 13.078 -0.867 -8.407 614 2HD1 LEU 82 HD12 LEU 82 13.557 -2.503 -7.944 615 3HD1 LEU 82 HD13 LEU 82 14.612 -1.527 -8.962 616 1HD2 LEU 82 HD21 LEU 82 14.363 1.083 -7.533 617 2HD2 LEU 82 HD22 LEU 82 15.877 0.339 -8.043 618 3HD2 LEU 82 HD23 LEU 82 15.659 0.831 -6.364 619 H THR 83 H THR 83 13.474 -2.615 -2.794 620 HA THR 83 HA THR 83 15.741 -4.304 -3.404 621 HB THR 83 HB THR 83 16.297 -3.217 -1.347 622 HG1 THR 83 HG1 THR 83 16.064 -5.783 -1.538 623 1HG2 THR 83 HG21 THR 83 14.898 -3.227 0.669 624 2HG2 THR 83 HG22 THR 83 13.646 -4.100 -0.204 625 3HG2 THR 83 HG23 THR 83 14.054 -2.448 -0.675 626 H MET 84 H MET 84 14.944 -6.416 -3.895 627 HA MET 84 HA MET 84 12.056 -6.709 -3.307 628 1HB MET 84 HB2 MET 84 12.683 -6.941 -5.650 629 2HB MET 84 HB1 MET 84 13.904 -8.124 -5.208 630 1HG MET 84 HG2 MET 84 12.134 -9.673 -4.525 631 2HG MET 84 HG1 MET 84 10.919 -8.488 -5.015 632 1HE MET 84 HE1 MET 84 9.882 -10.476 -6.493 633 2HE MET 84 HE2 MET 84 11.230 -11.590 -6.205 634 3HE MET 84 HE3 MET 84 10.725 -11.226 -7.848 635 H VAL 85 H VAL 85 11.963 -7.511 -1.308 636 HA VAL 85 HA VAL 85 12.841 -10.214 -1.005 637 HB VAL 85 HB VAL 85 13.572 -9.555 1.470 638 1HG1 VAL 85 HG11 VAL 85 15.308 -9.002 -0.933 639 2HG1 VAL 85 HG12 VAL 85 15.072 -10.575 -0.164 640 3HG1 VAL 85 HG13 VAL 85 15.900 -9.277 0.704 641 1HG2 VAL 85 HG21 VAL 85 14.702 -7.379 1.596 642 2HG2 VAL 85 HG22 VAL 85 12.980 -7.163 1.250 643 3HG2 VAL 85 HG23 VAL 85 14.168 -6.998 -0.040 644 H LYS 86 H LYS 86 10.813 -11.114 -0.642 645 HA LYS 86 HA LYS 86 9.394 -10.017 1.649 646 1HB LYS 86 HB2 LYS 86 8.448 -9.102 -0.609 647 2HB LYS 86 HB1 LYS 86 7.775 -10.733 -0.757 648 1HG LYS 86 HG2 LYS 86 6.114 -9.428 0.079 649 2HG LYS 86 HG1 LYS 86 6.684 -10.359 1.467 650 1HD LYS 86 HD2 LYS 86 7.948 -8.510 2.317 651 2HD LYS 86 HD1 LYS 86 7.730 -7.560 0.859 652 1HE LYS 86 HE2 LYS 86 6.151 -6.527 2.259 653 2HE LYS 86 HE1 LYS 86 5.217 -7.769 1.468 654 1HZ LYS 86 HZ1 LYS 86 6.483 -8.125 4.127 655 2HZ LYS 86 HZ2 LYS 86 5.444 -9.224 3.428 656 3HZ LYS 86 HZ3 LYS 86 4.873 -7.737 3.935 657 H ARG 87 H ARG 87 8.938 -11.565 2.937 658 HA ARG 87 HA ARG 87 8.988 -14.229 1.769 659 1HB ARG 87 HB2 ARG 87 9.889 -13.361 4.527 660 2HB ARG 87 HB1 ARG 87 9.831 -15.024 3.976 661 1HG ARG 87 HG2 ARG 87 12.105 -14.436 3.738 662 2HG ARG 87 HG1 ARG 87 11.424 -14.264 2.114 663 1HD ARG 87 HD2 ARG 87 12.899 -12.383 2.642 664 2HD ARG 87 HD1 ARG 87 11.236 -11.873 2.396 665 HE ARG 87 HE ARG 87 11.827 -12.365 5.141 666 1HH1 ARG 87 HH11 ARG 87 12.022 -9.873 2.603 667 2HH1 ARG 87 HH12 ARG 87 12.094 -8.590 3.696 668 1HH2 ARG 87 HH21 ARG 87 11.908 -10.570 6.616 669 2HH2 ARG 87 HH22 ARG 87 12.044 -8.984 6.010 670 H ASN 88 H ASN 88 7.704 -15.823 3.060 671 HA ASN 88 HA ASN 88 5.830 -16.591 4.073 672 1HB ASN 88 HB2 ASN 88 6.378 -15.055 5.955 673 2HB ASN 88 HB1 ASN 88 5.512 -13.769 5.146 674 1HD2 ASN 88 HD21 ASN 88 4.408 -17.131 5.432 675 2HD2 ASN 88 HD22 ASN 88 3.068 -16.774 6.443 676 H ASN 89 H ASN 89 5.791 -14.283 1.687 677 HA ASN 89 HA ASN 89 2.888 -14.593 1.293 678 1HB ASN 89 HB2 ASN 89 4.429 -12.011 0.883 679 2HB ASN 89 HB1 ASN 89 2.746 -12.269 0.462 680 1HD2 ASN 89 HD21 ASN 89 5.068 -11.656 2.969 681 2HD2 ASN 89 HD22 ASN 89 3.900 -11.373 4.215 682 H GLN 90 H GLN 90 5.018 -12.610 -0.596 683 HA GLN 90 HA GLN 90 5.402 -14.537 -2.658 684 1HB GLN 90 HB2 GLN 90 4.497 -13.160 -4.384 685 2HB GLN 90 HB1 GLN 90 3.168 -13.457 -3.238 686 1HG GLN 90 HG2 GLN 90 4.809 -10.974 -3.324 687 2HG GLN 90 HG1 GLN 90 3.401 -11.188 -4.363 688 1HE2 GLN 90 HE21 GLN 90 4.597 -10.574 -1.245 689 2HE2 GLN 90 HE22 GLN 90 3.068 -10.221 -0.495 690 H THR 91 H THR 91 6.900 -13.446 -4.236 691 HA THR 91 HA THR 91 8.497 -11.632 -2.674 692 HB THR 91 HB THR 91 10.150 -12.103 -4.657 693 HG1 THR 91 HG1 THR 91 8.687 -13.262 -5.940 694 1HG2 THR 91 HG21 THR 91 10.529 -12.786 -2.317 695 2HG2 THR 91 HG22 THR 91 10.997 -14.078 -3.412 696 3HG2 THR 91 HG23 THR 91 9.469 -14.165 -2.542 697 H ILE 92 H ILE 92 8.256 -9.677 -2.891 698 HA ILE 92 HA ILE 92 7.570 -8.415 -5.345 699 HB ILE 92 HB ILE 92 6.078 -6.856 -3.967 700 1HG1 ILE 92 HG12 ILE 92 4.823 -8.238 -2.172 701 2HG1 ILE 92 HG11 ILE 92 6.337 -9.132 -2.139 702 1HG2 ILE 92 HG21 ILE 92 5.112 -8.197 -5.651 703 2HG2 ILE 92 HG22 ILE 92 4.100 -8.397 -4.209 704 3HG2 ILE 92 HG23 ILE 92 5.257 -9.647 -4.675 705 1HD1 ILE 92 HD11 ILE 92 6.242 -7.322 -0.480 706 2HD1 ILE 92 HD12 ILE 92 6.186 -6.164 -1.809 707 3HD1 ILE 92 HD13 ILE 92 7.591 -7.200 -1.601 708 H PHE 93 H PHE 93 7.901 -6.039 -5.225 709 HA PHE 93 HA PHE 93 10.666 -5.828 -4.346 710 1HB PHE 93 HB2 PHE 93 8.870 -4.101 -6.034 711 2HB PHE 93 HB1 PHE 93 10.547 -3.730 -5.750 712 HD1 PHE 93 HD1 PHE 93 8.148 -5.769 -7.567 713 HD2 PHE 93 HD2 PHE 93 12.267 -5.102 -6.781 714 HE1 PHE 93 HE1 PHE 93 8.726 -7.085 -9.565 715 HE2 PHE 93 HE2 PHE 93 12.869 -6.423 -8.787 716 HZ PHE 93 HZ PHE 93 11.092 -7.414 -10.177 717 H GLU 94 H GLU 94 11.080 -4.798 -2.447 718 HA GLU 94 HA GLU 94 9.002 -3.210 -1.274 719 1HB GLU 94 HB2 GLU 94 11.662 -4.041 -0.066 720 2HB GLU 94 HB1 GLU 94 10.239 -3.414 0.745 721 1HG GLU 94 HG2 GLU 94 9.073 -5.502 -0.014 722 2HG GLU 94 HG1 GLU 94 10.675 -6.169 -0.328 723 H GLN 95 H GLN 95 9.410 -1.099 -0.814 724 HA GLN 95 HA GLN 95 11.789 0.043 -2.118 725 1HB GLN 95 HB2 GLN 95 9.394 0.205 -3.204 726 2HB GLN 95 HB1 GLN 95 9.139 1.440 -1.984 727 1HG GLN 95 HG2 GLN 95 10.971 2.721 -2.824 728 2HG GLN 95 HG1 GLN 95 11.394 1.429 -3.943 729 1HE2 GLN 95 HE21 GLN 95 9.217 4.026 -3.233 730 2HE2 GLN 95 HE22 GLN 95 8.504 4.089 -4.804 731 H THR 96 H THR 96 13.067 0.892 -0.568 732 HA THR 96 HA THR 96 11.835 2.025 1.861 733 HB THR 96 HB THR 96 14.661 1.642 2.092 734 HG1 THR 96 HG1 THR 96 14.274 -0.815 2.043 735 1HG2 THR 96 HG21 THR 96 12.329 0.251 3.435 736 2HG2 THR 96 HG22 THR 96 13.067 1.735 3.971 737 3HG2 THR 96 HG23 THR 96 13.993 0.230 4.004 738 H ILE 97 H ILE 97 12.988 3.857 2.763 739 HA ILE 97 HA ILE 97 14.032 5.638 0.652 740 HB ILE 97 HB ILE 97 13.061 6.475 3.402 741 1HG1 ILE 97 HG12 ILE 97 11.388 6.476 0.933 742 2HG1 ILE 97 HG11 ILE 97 11.442 5.040 1.936 743 1HG2 ILE 97 HG21 ILE 97 14.377 8.035 1.848 744 2HG2 ILE 97 HG22 ILE 97 12.795 8.598 2.303 745 3HG2 ILE 97 HG23 ILE 97 13.045 7.891 0.697 746 1HD1 ILE 97 HD11 ILE 97 9.561 6.163 2.546 747 2HD1 ILE 97 HD12 ILE 97 10.286 7.742 2.504 748 3HD1 ILE 97 HD13 ILE 97 10.682 6.599 3.828 749 H ASN 98 H ASN 98 15.762 6.955 1.180 750 HA ASN 98 HA ASN 98 17.662 5.673 2.992 751 1HB ASN 98 HB2 ASN 98 19.307 7.151 1.739 752 2HB ASN 98 HB1 ASN 98 18.548 5.873 0.789 753 1HD2 ASN 98 HD21 ASN 98 17.003 8.973 1.676 754 2HD2 ASN 98 HD22 ASN 98 16.900 9.554 0.094 755 H ASP 99 H ASP 99 15.403 7.713 3.619 756 HA ASP 99 HA ASP 99 16.968 9.524 5.321 757 1HB ASP 99 HB2 ASP 99 16.840 10.455 2.982 758 2HB ASP 99 HB1 ASP 99 15.133 10.642 3.244 759 H LEU 100 H LEU 100 13.783 9.184 3.839 760 HA LEU 100 HA LEU 100 12.355 10.354 6.045 761 1HB LEU 100 HB2 LEU 100 11.248 8.916 3.620 762 2HB LEU 100 HB1 LEU 100 10.460 10.068 4.665 763 HG LEU 100 HG LEU 100 12.882 11.032 3.253 764 1HD1 LEU 100 HD11 LEU 100 11.798 9.877 1.433 765 2HD1 LEU 100 HD12 LEU 100 11.469 11.586 1.287 766 3HD1 LEU 100 HD13 LEU 100 10.231 10.500 1.941 767 1HD2 LEU 100 HD21 LEU 100 10.172 12.200 3.727 768 2HD2 LEU 100 HD22 LEU 100 11.591 13.025 3.122 769 3HD2 LEU 100 HD23 LEU 100 11.567 12.424 4.798 770 H THR 101 H THR 101 13.802 7.657 6.029 771 HA THR 101 HA THR 101 12.010 5.560 6.517 772 HB THR 101 HB THR 101 14.883 5.956 7.352 773 HG1 THR 101 HG1 THR 101 13.769 4.862 5.014 774 1HG2 THR 101 HG21 THR 101 13.784 3.876 8.270 775 2HG2 THR 101 HG22 THR 101 15.078 3.539 7.111 776 3HG2 THR 101 HG23 THR 101 13.406 3.413 6.601 777 H PHE 102 H PHE 102 13.209 8.180 8.405 778 HA PHE 102 HA PHE 102 12.797 6.870 10.974 779 1HB PHE 102 HB2 PHE 102 13.737 9.667 10.318 780 2HB PHE 102 HB1 PHE 102 13.659 8.983 11.937 781 HD1 PHE 102 HD1 PHE 102 15.534 9.199 8.844 782 HD2 PHE 102 HD2 PHE 102 15.215 7.136 12.556 783 HE1 PHE 102 HE1 PHE 102 17.818 8.344 8.560 784 HE2 PHE 102 HE2 PHE 102 17.499 6.280 12.276 785 HZ PHE 102 HZ PHE 102 18.807 6.880 10.274 Start of MODEL 17 1 HA MET 1 HA MET 1 1.998 -9.621 -30.096 2 1HB MET 1 HB2 MET 1 0.246 -7.847 -29.910 3 2HB MET 1 HB1 MET 1 0.507 -8.399 -31.547 4 1HG MET 1 HG2 MET 1 -1.820 -8.042 -31.271 5 2HG MET 1 HG1 MET 1 -1.573 -9.780 -31.323 6 1HE MET 1 HE1 MET 1 -4.119 -9.963 -30.435 7 2HE MET 1 HE2 MET 1 -4.227 -8.208 -30.321 8 3HE MET 1 HE3 MET 1 -4.681 -9.209 -28.943 9 H ALA 2 H ALA 2 1.819 -8.701 -27.997 10 HA ALA 2 HA ALA 2 0.590 -10.576 -26.127 11 1HB ALA 2 HB1 ALA 2 2.634 -8.391 -25.674 12 2HB ALA 2 HB2 ALA 2 2.979 -10.112 -25.838 13 3HB ALA 2 HB3 ALA 2 2.058 -9.527 -24.455 14 H HIS 3 H HIS 3 -1.391 -10.029 -25.536 15 HA HIS 3 HA HIS 3 -2.247 -7.280 -25.760 16 1HB HIS 3 HB2 HIS 3 -3.671 -9.104 -26.640 17 2HB HIS 3 HB1 HIS 3 -3.813 -9.749 -25.011 18 HD1 HIS 3 HD1 HIS 3 -5.680 -8.809 -23.571 19 HD2 HIS 3 HD2 HIS 3 -4.947 -6.548 -26.978 20 HE1 HIS 3 HE1 HIS 3 -7.509 -7.089 -23.670 21 H HIS 4 H HIS 4 -2.483 -5.929 -24.062 22 HA HIS 4 HA HIS 4 -2.393 -7.113 -21.383 23 1HB HIS 4 HB2 HIS 4 -1.118 -5.211 -20.560 24 2HB HIS 4 HB1 HIS 4 -0.278 -5.873 -21.949 25 HD1 HIS 4 HD1 HIS 4 -0.296 -4.322 -24.163 26 HD2 HIS 4 HD2 HIS 4 -1.948 -2.615 -20.754 27 HE1 HIS 4 HE1 HIS 4 -0.427 -1.863 -24.610 28 H HIS 5 H HIS 5 -3.328 -5.506 -19.732 29 HA HIS 5 HA HIS 5 -5.795 -4.436 -20.888 30 1HB HIS 5 HB2 HIS 5 -5.217 -5.340 -18.049 31 2HB HIS 5 HB1 HIS 5 -6.724 -4.598 -18.571 32 HD1 HIS 5 HD1 HIS 5 -8.492 -6.194 -19.522 33 HD2 HIS 5 HD2 HIS 5 -4.719 -7.911 -19.243 34 HE1 HIS 5 HE1 HIS 5 -8.782 -8.613 -20.092 35 H HIS 6 H HIS 6 -6.562 -2.439 -20.066 36 HA HIS 6 HA HIS 6 -4.631 -0.444 -20.049 37 1HB HIS 6 HB2 HIS 6 -6.515 1.091 -19.347 38 2HB HIS 6 HB1 HIS 6 -6.780 0.176 -20.822 39 HD1 HIS 6 HD1 HIS 6 -8.016 0.438 -17.223 40 HD2 HIS 6 HD2 HIS 6 -8.928 -1.564 -20.758 41 HE1 HIS 6 HE1 HIS 6 -10.265 -0.598 -16.882 42 H HIS 7 H HIS 7 -3.330 0.310 -18.591 43 HA HIS 7 HA HIS 7 -3.703 -0.429 -15.783 44 1HB HIS 7 HB2 HIS 7 -1.313 0.802 -17.187 45 2HB HIS 7 HB1 HIS 7 -1.369 0.420 -15.475 46 HD1 HIS 7 HD1 HIS 7 -0.842 -2.025 -14.822 47 HD2 HIS 7 HD2 HIS 7 -1.227 -1.427 -18.915 48 HE1 HIS 7 HE1 HIS 7 -0.066 -4.147 -15.909 49 H HIS 8 H HIS 8 -3.901 2.281 -17.886 50 HA HIS 8 HA HIS 8 -3.462 4.306 -15.952 51 1HB HIS 8 HB2 HIS 8 -3.212 4.735 -18.388 52 2HB HIS 8 HB1 HIS 8 -4.940 4.504 -18.596 53 HD1 HIS 8 HD1 HIS 8 -6.388 6.565 -18.296 54 HD2 HIS 8 HD2 HIS 8 -2.542 7.051 -16.814 55 HE1 HIS 8 HE1 HIS 8 -6.195 8.987 -17.625 56 H ASN 9 H ASN 9 -6.491 3.265 -17.560 57 HA ASN 9 HA ASN 9 -7.991 4.337 -15.380 58 1HB ASN 9 HB2 ASN 9 -9.054 4.184 -17.611 59 2HB ASN 9 HB1 ASN 9 -8.905 2.430 -17.556 60 1HD2 ASN 9 HD21 ASN 9 -9.842 4.472 -14.773 61 2HD2 ASN 9 HD22 ASN 9 -11.435 3.840 -14.680 62 H GLN 10 H GLN 10 -7.592 3.497 -13.608 63 HA GLN 10 HA GLN 10 -7.499 0.585 -13.289 64 1HB GLN 10 HB2 GLN 10 -5.353 1.664 -13.079 65 2HB GLN 10 HB1 GLN 10 -6.002 2.801 -11.921 66 1HG GLN 10 HG2 GLN 10 -6.368 0.931 -10.361 67 2HG GLN 10 HG1 GLN 10 -5.597 -0.145 -11.535 68 1HE2 GLN 10 HE21 GLN 10 -3.696 1.867 -12.449 69 2HE2 GLN 10 HE22 GLN 10 -2.542 2.047 -11.205 70 H GLN 11 H GLN 11 -7.636 3.414 -11.164 71 HA GLN 11 HA GLN 11 -10.360 2.902 -10.417 72 1HB GLN 11 HB2 GLN 11 -8.149 3.179 -8.343 73 2HB GLN 11 HB1 GLN 11 -9.867 3.045 -8.007 74 1HG GLN 11 HG2 GLN 11 -9.779 0.774 -9.076 75 2HG GLN 11 HG1 GLN 11 -8.028 0.936 -9.078 76 1HE2 GLN 11 HE21 GLN 11 -10.830 0.365 -7.235 77 2HE2 GLN 11 HE22 GLN 11 -10.042 -0.027 -5.754 78 H ASN 12 H ASN 12 -11.320 4.825 -9.943 79 HA ASN 12 HA ASN 12 -10.107 7.054 -11.167 80 1HB ASN 12 HB2 ASN 12 -12.509 6.663 -11.278 81 2HB ASN 12 HB1 ASN 12 -12.646 6.927 -9.544 82 1HD2 ASN 12 HD21 ASN 12 -12.153 8.409 -12.636 83 2HD2 ASN 12 HD22 ASN 12 -12.392 10.033 -12.126 84 H LYS 13 H LYS 13 -10.588 6.267 -7.770 85 HA LYS 13 HA LYS 13 -9.921 8.909 -6.889 86 1HB LYS 13 HB2 LYS 13 -10.081 6.364 -5.319 87 2HB LYS 13 HB1 LYS 13 -9.832 7.946 -4.613 88 1HG LYS 13 HG2 LYS 13 -12.064 8.592 -5.636 89 2HG LYS 13 HG1 LYS 13 -12.300 6.871 -5.962 90 1HD LYS 13 HD2 LYS 13 -11.816 8.145 -3.260 91 2HD LYS 13 HD1 LYS 13 -13.338 7.482 -3.846 92 1HE LYS 13 HE2 LYS 13 -12.473 5.252 -3.815 93 2HE LYS 13 HE1 LYS 13 -10.829 5.823 -3.539 94 1HZ LYS 13 HZ1 LYS 13 -13.080 6.088 -1.611 95 2HZ LYS 13 HZ2 LYS 13 -11.506 6.653 -1.410 96 3HZ LYS 13 HZ3 LYS 13 -11.787 4.999 -1.508 97 H LYS 14 H LYS 14 -8.045 6.105 -7.628 98 HA LYS 14 HA LYS 14 -5.831 5.581 -7.417 99 1HB LYS 14 HB2 LYS 14 -5.844 8.529 -7.402 100 2HB LYS 14 HB1 LYS 14 -4.415 7.830 -6.668 101 1HG LYS 14 HG2 LYS 14 -5.374 7.043 -9.400 102 2HG LYS 14 HG1 LYS 14 -4.321 8.435 -9.132 103 1HD LYS 14 HD2 LYS 14 -3.678 5.630 -8.224 104 2HD LYS 14 HD1 LYS 14 -3.110 6.313 -9.752 105 1HE LYS 14 HE2 LYS 14 -2.480 7.309 -6.955 106 2HE LYS 14 HE1 LYS 14 -1.392 6.458 -8.027 107 1HZ LYS 14 HZ1 LYS 14 -2.503 9.195 -8.497 108 2HZ LYS 14 HZ2 LYS 14 -1.497 8.386 -9.568 109 3HZ LYS 14 HZ3 LYS 14 -0.934 8.818 -8.031 110 H VAL 15 H VAL 15 -3.865 6.517 -5.592 111 HA VAL 15 HA VAL 15 -4.917 5.313 -3.209 112 HB VAL 15 HB VAL 15 -2.614 4.904 -4.300 113 1HG1 VAL 15 HG11 VAL 15 -1.810 7.062 -4.650 114 2HG1 VAL 15 HG12 VAL 15 -0.765 6.296 -3.420 115 3HG1 VAL 15 HG13 VAL 15 -2.015 7.459 -2.946 116 1HG2 VAL 15 HG21 VAL 15 -3.152 3.907 -2.168 117 2HG2 VAL 15 HG22 VAL 15 -2.738 5.416 -1.342 118 3HG2 VAL 15 HG23 VAL 15 -1.484 4.491 -2.144 119 H GLU 16 H GLU 16 -5.503 6.501 -1.366 120 HA GLU 16 HA GLU 16 -5.564 9.396 -1.776 121 1HB GLU 16 HB2 GLU 16 -6.860 7.864 0.467 122 2HB GLU 16 HB1 GLU 16 -7.301 9.453 -0.144 123 1HG GLU 16 HG2 GLU 16 -8.198 8.489 -2.131 124 2HG GLU 16 HG1 GLU 16 -7.548 6.910 -1.707 125 H GLY 17 H GLY 17 -5.412 8.005 1.453 126 1HA GLY 17 HA2 GLY 17 -2.766 9.240 1.697 127 2HA GLY 17 HA1 GLY 17 -4.075 9.828 2.724 128 H GLY 18 H GLY 18 -4.339 6.606 2.074 129 1HA GLY 18 HA2 GLY 18 -2.935 5.971 4.566 130 2HA GLY 18 HA1 GLY 18 -4.506 5.273 4.177 131 H TYR 19 H TYR 19 -3.520 3.243 4.477 132 HA TYR 19 HA TYR 19 -1.623 2.485 2.368 133 1HB TYR 19 HB2 TYR 19 -2.434 0.900 4.790 134 2HB TYR 19 HB1 TYR 19 -0.999 0.673 3.783 135 HD1 TYR 19 HD1 TYR 19 0.432 3.040 3.645 136 HD2 TYR 19 HD2 TYR 19 -2.014 1.740 6.867 137 HE1 TYR 19 HE1 TYR 19 1.653 4.532 5.175 138 HE2 TYR 19 HE2 TYR 19 -0.819 3.200 8.390 139 HH TYR 19 HH TYR 19 1.207 5.670 7.308 140 H GLU 20 H GLU 20 -2.492 1.781 0.657 141 HA GLU 20 HA GLU 20 -5.038 0.382 0.821 142 1HB GLU 20 HB2 GLU 20 -5.008 2.338 -0.692 143 2HB GLU 20 HB1 GLU 20 -3.632 1.660 -1.534 144 1HG GLU 20 HG2 GLU 20 -5.852 -0.197 -1.474 145 2HG GLU 20 HG1 GLU 20 -6.297 1.339 -2.214 146 H CYS 21 H CYS 21 -4.982 -1.619 0.681 147 HA CYS 21 HA CYS 21 -2.664 -3.195 0.234 148 1HB CYS 21 HB2 CYS 21 -5.524 -4.042 0.022 149 2HB CYS 21 HB1 CYS 21 -4.146 -5.116 0.285 150 H LYS 22 H LYS 22 -1.981 -4.209 -1.535 151 HA LYS 22 HA LYS 22 -2.699 -3.725 -4.186 152 1HB LYS 22 HB2 LYS 22 -0.555 -4.569 -3.742 153 2HB LYS 22 HB1 LYS 22 -1.165 -5.844 -2.712 154 1HG LYS 22 HG2 LYS 22 -0.256 -6.791 -4.711 155 2HG LYS 22 HG1 LYS 22 -2.001 -7.010 -4.708 156 1HD LYS 22 HD2 LYS 22 -2.198 -5.057 -6.203 157 2HD LYS 22 HD1 LYS 22 -0.426 -4.970 -6.231 158 1HE LYS 22 HE2 LYS 22 -0.294 -7.207 -7.158 159 2HE LYS 22 HE1 LYS 22 -2.038 -7.384 -7.044 160 1HZ LYS 22 HZ1 LYS 22 -2.292 -5.629 -8.680 161 2HZ LYS 22 HZ2 LYS 22 -1.335 -6.833 -9.336 162 3HZ LYS 22 HZ3 LYS 22 -0.642 -5.404 -8.793 163 H TYR 23 H TYR 23 -4.101 -5.734 -1.808 164 HA TYR 23 HA TYR 23 -5.424 -7.421 -3.775 165 1HB TYR 23 HB2 TYR 23 -5.670 -8.585 -1.200 166 2HB TYR 23 HB1 TYR 23 -4.710 -9.156 -2.560 167 HD1 TYR 23 HD1 TYR 23 -2.293 -8.512 -2.733 168 HD2 TYR 23 HD2 TYR 23 -4.633 -7.530 0.684 169 HE1 TYR 23 HE1 TYR 23 -0.248 -8.063 -1.461 170 HE2 TYR 23 HE2 TYR 23 -2.584 -7.068 1.964 171 HH TYR 23 HH TYR 23 -0.145 -7.729 1.892 172 H CYS 24 H CYS 24 -6.184 -4.703 -2.232 173 HA CYS 24 HA CYS 24 -8.939 -5.281 -2.480 174 1HB CYS 24 HB2 CYS 24 -9.697 -4.815 -0.194 175 2HB CYS 24 HB1 CYS 24 -8.535 -6.137 -0.206 176 H THR 25 H THR 25 -10.186 -3.176 -1.641 177 HA THR 25 HA THR 25 -8.486 -0.889 -2.293 178 HB THR 25 HB THR 25 -11.478 -1.171 -2.852 179 HG1 THR 25 HG1 THR 25 -10.529 -2.429 -4.356 180 1HG2 THR 25 HG21 THR 25 -10.723 1.185 -2.552 181 2HG2 THR 25 HG22 THR 25 -11.192 0.862 -4.221 182 3HG2 THR 25 HG23 THR 25 -9.487 0.927 -3.785 183 H PHE 26 H PHE 26 -9.454 -2.402 0.230 184 HA PHE 26 HA PHE 26 -10.657 -0.199 1.650 185 1HB PHE 26 HB2 PHE 26 -11.369 -2.509 2.271 186 2HB PHE 26 HB1 PHE 26 -9.710 -2.876 2.739 187 HD1 PHE 26 HD1 PHE 26 -12.607 -0.723 3.542 188 HD2 PHE 26 HD2 PHE 26 -8.904 -2.306 4.885 189 HE1 PHE 26 HE1 PHE 26 -13.052 0.156 5.792 190 HE2 PHE 26 HE2 PHE 26 -9.339 -1.433 7.138 191 HZ PHE 26 HZ PHE 26 -11.417 -0.198 7.599 192 H GLN 27 H GLN 27 -9.391 1.352 1.999 193 HA GLN 27 HA GLN 27 -6.599 0.874 2.672 194 1HB GLN 27 HB2 GLN 27 -6.509 2.078 0.723 195 2HB GLN 27 HB1 GLN 27 -7.988 2.966 1.062 196 1HG GLN 27 HG2 GLN 27 -6.803 4.355 2.649 197 2HG GLN 27 HG1 GLN 27 -5.373 3.340 2.452 198 1HE2 GLN 27 HE21 GLN 27 -4.058 3.769 0.939 199 2HE2 GLN 27 HE22 GLN 27 -4.157 5.017 -0.244 200 H THR 28 H THR 28 -5.745 1.878 4.385 201 HA THR 28 HA THR 28 -7.323 3.764 5.841 202 HB THR 28 HB THR 28 -8.147 1.748 6.869 203 HG1 THR 28 HG1 THR 28 -7.973 2.728 8.672 204 1HG2 THR 28 HG21 THR 28 -6.327 0.214 6.178 205 2HG2 THR 28 HG22 THR 28 -6.691 0.062 7.892 206 3HG2 THR 28 HG23 THR 28 -5.269 0.954 7.378 207 HA PRO 29 HA PRO 29 -3.124 5.242 6.368 208 1HB PRO 29 HB2 PRO 29 -3.744 7.434 7.843 209 2HB PRO 29 HB1 PRO 29 -3.959 7.336 6.086 210 1HG PRO 29 HG2 PRO 29 -5.986 6.976 8.257 211 2HG PRO 29 HG1 PRO 29 -6.127 7.884 6.741 212 1HD PRO 29 HD2 PRO 29 -7.162 5.400 7.039 213 2HD PRO 29 HD1 PRO 29 -6.495 5.962 5.481 214 H ASP 30 H ASP 30 -5.140 3.936 8.664 215 HA ASP 30 HA ASP 30 -3.258 4.301 10.837 216 1HB ASP 30 HB2 ASP 30 -5.893 2.825 10.652 217 2HB ASP 30 HB1 ASP 30 -4.861 2.794 12.073 218 H LEU 31 H LEU 31 -1.513 3.094 10.592 219 HA LEU 31 HA LEU 31 -1.135 0.858 9.078 220 1HB LEU 31 HB2 LEU 31 0.466 2.423 10.442 221 2HB LEU 31 HB1 LEU 31 0.280 1.227 11.700 222 HG LEU 31 HG LEU 31 2.339 0.798 10.531 223 1HD1 LEU 31 HD11 LEU 31 2.024 -1.467 9.667 224 2HD1 LEU 31 HD12 LEU 31 0.280 -1.152 9.627 225 3HD1 LEU 31 HD13 LEU 31 1.126 -1.198 11.177 226 1HD2 LEU 31 HD21 LEU 31 1.797 1.992 8.506 227 2HD2 LEU 31 HD22 LEU 31 0.700 0.706 8.030 228 3HD2 LEU 31 HD23 LEU 31 2.440 0.385 8.139 229 H ASN 32 H ASN 32 -2.173 1.147 12.499 230 HA ASN 32 HA ASN 32 -2.107 -1.488 13.244 231 1HB ASN 32 HB2 ASN 32 -2.585 0.581 14.671 232 2HB ASN 32 HB1 ASN 32 -4.214 0.468 13.977 233 1HD2 ASN 32 HD21 ASN 32 -5.604 -1.130 14.595 234 2HD2 ASN 32 HD22 ASN 32 -5.239 -2.146 15.926 235 H MET 33 H MET 33 -4.660 0.409 11.691 236 HA MET 33 HA MET 33 -6.546 -1.753 11.691 237 1HB MET 33 HB2 MET 33 -6.592 0.757 10.017 238 2HB MET 33 HB1 MET 33 -7.939 -0.333 10.290 239 1HG MET 33 HG2 MET 33 -6.541 1.340 12.304 240 2HG MET 33 HG1 MET 33 -8.140 1.673 11.626 241 1HE MET 33 HE1 MET 33 -9.294 1.891 13.965 242 2HE MET 33 HE2 MET 33 -7.693 1.737 14.683 243 3HE MET 33 HE3 MET 33 -9.031 0.766 15.300 244 H PHE 34 H PHE 34 -4.162 -0.460 9.542 245 HA PHE 34 HA PHE 34 -4.943 -1.900 7.259 246 1HB PHE 34 HB2 PHE 34 -3.445 -0.056 6.959 247 2HB PHE 34 HB1 PHE 34 -2.276 -0.721 8.073 248 HD1 PHE 34 HD1 PHE 34 -3.890 -1.373 4.718 249 HD2 PHE 34 HD2 PHE 34 -0.578 -2.098 7.331 250 HE1 PHE 34 HE1 PHE 34 -2.709 -2.481 2.907 251 HE2 PHE 34 HE2 PHE 34 0.609 -3.219 5.481 252 HZ PHE 34 HZ PHE 34 -0.466 -3.410 3.270 253 H THR 35 H THR 35 -2.407 -2.594 9.635 254 HA THR 35 HA THR 35 -1.964 -5.141 8.482 255 HB THR 35 HB THR 35 -0.084 -4.164 9.635 256 HG1 THR 35 HG1 THR 35 -1.113 -6.538 10.768 257 1HG2 THR 35 HG21 THR 35 -1.265 -2.875 11.300 258 2HG2 THR 35 HG22 THR 35 -0.032 -3.881 12.070 259 3HG2 THR 35 HG23 THR 35 -1.742 -4.344 12.151 260 H PHE 36 H PHE 36 -4.111 -3.996 10.894 261 HA PHE 36 HA PHE 36 -4.809 -6.480 11.990 262 1HB PHE 36 HB2 PHE 36 -5.575 -4.626 13.236 263 2HB PHE 36 HB1 PHE 36 -6.214 -3.811 11.838 264 HD1 PHE 36 HD1 PHE 36 -6.716 -7.201 13.298 265 HD2 PHE 36 HD2 PHE 36 -8.471 -3.577 12.005 266 HE1 PHE 36 HE1 PHE 36 -8.956 -8.110 13.827 267 HE2 PHE 36 HE2 PHE 36 -10.714 -4.460 12.519 268 HZ PHE 36 HZ PHE 36 -10.956 -6.738 13.428 269 H HIS 37 H HIS 37 -6.293 -4.592 9.352 270 HA HIS 37 HA HIS 37 -8.041 -6.751 8.824 271 1HB HIS 37 HB2 HIS 37 -9.150 -5.415 7.278 272 2HB HIS 37 HB1 HIS 37 -8.362 -4.201 8.270 273 HD1 HIS 37 HD1 HIS 37 -6.631 -2.696 7.095 274 HD2 HIS 37 HD2 HIS 37 -8.187 -5.706 4.697 275 HE1 HIS 37 HE1 HIS 37 -5.976 -2.095 4.725 276 H VAL 38 H VAL 38 -4.904 -5.920 7.754 277 HA VAL 38 HA VAL 38 -4.855 -7.663 5.525 278 HB VAL 38 HB VAL 38 -2.637 -6.548 7.226 279 1HG1 VAL 38 HG11 VAL 38 -1.913 -8.730 6.321 280 2HG1 VAL 38 HG12 VAL 38 -1.044 -7.418 5.516 281 3HG1 VAL 38 HG13 VAL 38 -2.392 -8.221 4.700 282 1HG2 VAL 38 HG21 VAL 38 -2.118 -5.223 5.257 283 2HG2 VAL 38 HG22 VAL 38 -3.799 -4.987 5.744 284 3HG2 VAL 38 HG23 VAL 38 -3.409 -6.014 4.362 285 H ASP 39 H ASP 39 -3.758 -8.115 8.907 286 HA ASP 39 HA ASP 39 -2.950 -10.791 8.437 287 1HB ASP 39 HB2 ASP 39 -2.201 -9.390 10.373 288 2HB ASP 39 HB1 ASP 39 -3.807 -9.573 11.070 289 H SER 40 H SER 40 -5.948 -9.335 9.075 290 HA SER 40 HA SER 40 -7.239 -11.804 9.848 291 1HB SER 40 HB2 SER 40 -7.809 -9.592 10.859 292 2HB SER 40 HB1 SER 40 -8.449 -9.097 9.300 293 HG SER 40 HG SER 40 -10.023 -10.603 9.439 294 H GLU 41 H GLU 41 -7.277 -9.598 7.025 295 HA GLU 41 HA GLU 41 -9.216 -11.410 5.769 296 1HB GLU 41 HB2 GLU 41 -8.524 -8.617 4.876 297 2HB GLU 41 HB1 GLU 41 -9.864 -9.607 4.327 298 1HG GLU 41 HG2 GLU 41 -9.501 -8.415 7.061 299 2HG GLU 41 HG1 GLU 41 -10.652 -7.894 5.834 300 H HIS 42 H HIS 42 -5.948 -10.266 5.457 301 HA HIS 42 HA HIS 42 -5.670 -11.841 2.983 302 1HB HIS 42 HB2 HIS 42 -3.953 -9.408 3.254 303 2HB HIS 42 HB1 HIS 42 -4.546 -10.211 1.817 304 HD1 HIS 42 HD1 HIS 42 -7.331 -9.631 1.464 305 HD2 HIS 42 HD2 HIS 42 -4.943 -6.994 3.609 306 HE1 HIS 42 HE1 HIS 42 -8.524 -7.413 1.413 307 HA PRO 43 HA PRO 43 -2.625 -12.411 6.616 308 1HB PRO 43 HB2 PRO 43 -2.926 -15.122 6.898 309 2HB PRO 43 HB1 PRO 43 -3.907 -13.913 7.747 310 1HG PRO 43 HG2 PRO 43 -4.559 -15.412 5.231 311 2HG PRO 43 HG1 PRO 43 -5.585 -15.123 6.650 312 1HD PRO 43 HD2 PRO 43 -5.832 -13.667 4.443 313 2HD PRO 43 HD1 PRO 43 -5.999 -12.950 6.058 314 H ASN 44 H ASN 44 -3.093 -14.624 3.870 315 HA ASN 44 HA ASN 44 -0.205 -14.506 3.432 316 1HB ASN 44 HB2 ASN 44 -0.744 -16.740 4.307 317 2HB ASN 44 HB1 ASN 44 -1.993 -16.932 3.081 318 1HD2 ASN 44 HD21 ASN 44 1.439 -16.861 3.689 319 2HD2 ASN 44 HD22 ASN 44 1.914 -17.526 2.181 320 H VAL 45 H VAL 45 0.072 -13.378 1.667 321 HA VAL 45 HA VAL 45 -1.866 -13.767 -0.464 322 HB VAL 45 HB VAL 45 -1.260 -11.433 -1.253 323 1HG1 VAL 45 HG11 VAL 45 -3.362 -11.957 -0.254 324 2HG1 VAL 45 HG12 VAL 45 -2.814 -10.374 0.309 325 3HG1 VAL 45 HG13 VAL 45 -2.685 -11.793 1.368 326 1HG2 VAL 45 HG21 VAL 45 -0.452 -9.875 0.449 327 2HG2 VAL 45 HG22 VAL 45 0.753 -11.115 0.095 328 3HG2 VAL 45 HG23 VAL 45 -0.210 -11.214 1.569 329 H VAL 46 H VAL 46 -1.194 -14.462 -2.269 330 HA VAL 46 HA VAL 46 1.489 -13.863 -3.085 331 HB VAL 46 HB VAL 46 0.284 -16.655 -3.355 332 1HG1 VAL 46 HG11 VAL 46 2.409 -17.327 -4.365 333 2HG1 VAL 46 HG12 VAL 46 2.983 -15.665 -4.272 334 3HG1 VAL 46 HG13 VAL 46 1.617 -16.064 -5.311 335 1HG2 VAL 46 HG21 VAL 46 2.136 -17.425 -1.926 336 2HG2 VAL 46 HG22 VAL 46 1.116 -16.257 -1.085 337 3HG2 VAL 46 HG23 VAL 46 2.676 -15.757 -1.738 338 H LEU 47 H LEU 47 0.929 -12.508 -4.702 339 HA LEU 47 HA LEU 47 -1.137 -13.446 -6.569 340 1HB LEU 47 HB2 LEU 47 -0.312 -10.603 -5.998 341 2HB LEU 47 HB1 LEU 47 -1.503 -11.089 -7.186 342 HG LEU 47 HG LEU 47 -1.743 -11.441 -4.193 343 1HD1 LEU 47 HD11 LEU 47 -3.167 -9.590 -6.089 344 2HD1 LEU 47 HD12 LEU 47 -1.952 -9.137 -4.893 345 3HD1 LEU 47 HD13 LEU 47 -3.512 -9.777 -4.369 346 1HD2 LEU 47 HD21 LEU 47 -2.884 -13.252 -5.373 347 2HD2 LEU 47 HD22 LEU 47 -3.710 -12.079 -6.398 348 3HD2 LEU 47 HD23 LEU 47 -4.056 -12.138 -4.671 349 H ASN 48 H ASN 48 1.578 -11.105 -6.882 350 HA ASN 48 HA ASN 48 2.841 -12.478 -9.024 351 1HB ASN 48 HB2 ASN 48 0.692 -11.620 -10.141 352 2HB ASN 48 HB1 ASN 48 1.205 -9.989 -9.747 353 1HD2 ASN 48 HD21 ASN 48 1.849 -12.787 -11.729 354 2HD2 ASN 48 HD22 ASN 48 2.825 -11.973 -12.892 355 H SER 49 H SER 49 3.830 -9.845 -10.159 356 HA SER 49 HA SER 49 5.581 -9.171 -7.947 357 1HB SER 49 HB2 SER 49 5.644 -8.282 -10.852 358 2HB SER 49 HB1 SER 49 6.948 -8.129 -9.675 359 HG SER 49 HG SER 49 6.590 -10.035 -11.341 360 H SER 50 H SER 50 5.497 -7.142 -6.963 361 HA SER 50 HA SER 50 3.934 -5.008 -7.942 362 1HB SER 50 HB2 SER 50 3.145 -6.672 -5.557 363 2HB SER 50 HB1 SER 50 2.529 -5.058 -5.885 364 HG SER 50 HG SER 50 2.370 -6.689 -8.039 365 H TYR 51 H TYR 51 3.887 -3.357 -5.946 366 HA TYR 51 HA TYR 51 6.578 -3.356 -4.818 367 1HB TYR 51 HB2 TYR 51 5.053 -1.355 -6.322 368 2HB TYR 51 HB1 TYR 51 5.937 -0.790 -4.925 369 HD1 TYR 51 HD1 TYR 51 7.639 0.485 -5.868 370 HD2 TYR 51 HD2 TYR 51 7.005 -3.447 -7.351 371 HE1 TYR 51 HE1 TYR 51 9.699 0.653 -7.176 372 HE2 TYR 51 HE2 TYR 51 9.067 -3.275 -8.677 373 HH TYR 51 HH TYR 51 10.500 -1.603 -9.604 374 H VAL 52 H VAL 52 6.799 -2.802 -2.793 375 HA VAL 52 HA VAL 52 4.425 -2.015 -1.258 376 HB VAL 52 HB VAL 52 4.856 -4.426 -0.973 377 1HG1 VAL 52 HG11 VAL 52 7.510 -3.608 0.041 378 2HG1 VAL 52 HG12 VAL 52 7.176 -4.389 -1.515 379 3HG1 VAL 52 HG13 VAL 52 6.843 -5.237 -0.004 380 1HG2 VAL 52 HG21 VAL 52 5.679 -2.893 1.469 381 2HG2 VAL 52 HG22 VAL 52 5.178 -4.586 1.428 382 3HG2 VAL 52 HG23 VAL 52 4.036 -3.319 0.985 383 H CYS 53 H CYS 53 4.805 -0.498 0.252 384 HA CYS 53 HA CYS 53 7.434 0.818 0.389 385 1HB CYS 53 HB2 CYS 53 5.432 2.206 0.395 386 2HB CYS 53 HB1 CYS 53 4.776 1.291 1.749 387 H VAL 54 H VAL 54 8.866 -0.431 1.488 388 HA VAL 54 HA VAL 54 8.262 -2.309 3.437 389 HB VAL 54 HB VAL 54 10.755 -1.007 4.030 390 1HG1 VAL 54 HG11 VAL 54 10.074 -3.578 2.815 391 2HG1 VAL 54 HG12 VAL 54 10.234 -3.268 4.567 392 3HG1 VAL 54 HG13 VAL 54 11.646 -3.143 3.472 393 1HG2 VAL 54 HG21 VAL 54 10.836 -0.168 1.871 394 2HG2 VAL 54 HG22 VAL 54 10.182 -1.606 1.174 395 3HG2 VAL 54 HG23 VAL 54 11.830 -1.622 1.836 396 H GLU 55 H GLU 55 8.793 1.075 3.629 397 HA GLU 55 HA GLU 55 9.227 1.529 6.332 398 1HB GLU 55 HB2 GLU 55 7.541 3.196 4.468 399 2HB GLU 55 HB1 GLU 55 8.323 3.749 5.934 400 1HG GLU 55 HG2 GLU 55 9.811 2.734 3.527 401 2HG GLU 55 HG1 GLU 55 9.415 4.426 3.799 402 H CYS 56 H CYS 56 6.312 1.174 4.507 403 HA CYS 56 HA CYS 56 4.660 1.282 6.982 404 1HB CYS 56 HB2 CYS 56 3.686 1.206 4.158 405 2HB CYS 56 HB1 CYS 56 2.828 1.793 5.579 406 H ASN 57 H ASN 57 6.030 -0.909 4.891 407 HA ASN 57 HA ASN 57 5.631 -2.953 4.052 408 1HB ASN 57 HB2 ASN 57 4.678 -3.075 6.830 409 2HB ASN 57 HB1 ASN 57 4.450 -4.528 5.811 410 1HD2 ASN 57 HD21 ASN 57 7.020 -3.959 4.374 411 2HD2 ASN 57 HD22 ASN 57 8.189 -4.436 5.530 412 H PHE 58 H PHE 58 4.105 -1.525 2.723 413 HA PHE 58 HA PHE 58 1.473 -2.769 2.807 414 1HB PHE 58 HB2 PHE 58 0.260 -0.857 2.958 415 2HB PHE 58 HB1 PHE 58 1.726 -0.165 3.622 416 HD1 PHE 58 HD1 PHE 58 2.984 1.454 2.298 417 HD2 PHE 58 HD2 PHE 58 -0.505 -0.341 0.774 418 HE1 PHE 58 HE1 PHE 58 2.852 3.226 0.523 419 HE2 PHE 58 HE2 PHE 58 -0.670 1.452 -0.965 420 HZ PHE 58 HZ PHE 58 1.025 3.195 -1.084 421 H LEU 59 H LEU 59 0.941 -3.625 1.033 422 HA LEU 59 HA LEU 59 2.541 -3.167 -1.356 423 1HB LEU 59 HB2 LEU 59 0.837 -5.389 -0.359 424 2HB LEU 59 HB1 LEU 59 0.836 -5.088 -2.086 425 HG LEU 59 HG LEU 59 3.380 -5.581 -0.562 426 1HD1 LEU 59 HD11 LEU 59 1.768 -7.472 -0.354 427 2HD1 LEU 59 HD12 LEU 59 3.187 -7.884 -1.320 428 3HD1 LEU 59 HD13 LEU 59 1.653 -7.496 -2.115 429 1HD2 LEU 59 HD21 LEU 59 2.595 -5.738 -3.480 430 2HD2 LEU 59 HD22 LEU 59 4.165 -6.148 -2.829 431 3HD2 LEU 59 HD23 LEU 59 3.592 -4.486 -2.749 432 H THR 60 H THR 60 1.579 -2.252 -3.109 433 HA THR 60 HA THR 60 -1.217 -1.599 -2.672 434 HB THR 60 HB THR 60 0.052 0.196 -2.017 435 HG1 THR 60 HG1 THR 60 -1.789 0.641 -3.240 436 1HG2 THR 60 HG21 THR 60 1.669 1.390 -3.382 437 2HG2 THR 60 HG22 THR 60 1.501 0.177 -4.664 438 3HG2 THR 60 HG23 THR 60 2.125 -0.275 -3.078 439 H LYS 61 H LYS 61 -2.318 -0.874 -4.596 440 HA LYS 61 HA LYS 61 -1.864 -2.873 -6.562 441 1HB LYS 61 HB2 LYS 61 -4.077 -2.530 -5.590 442 2HB LYS 61 HB1 LYS 61 -4.137 -0.910 -6.242 443 1HG LYS 61 HG2 LYS 61 -4.602 -1.634 -8.356 444 2HG LYS 61 HG1 LYS 61 -3.782 -3.172 -8.124 445 1HD LYS 61 HD2 LYS 61 -6.180 -3.525 -8.321 446 2HD LYS 61 HD1 LYS 61 -5.625 -3.946 -6.711 447 1HE LYS 61 HE2 LYS 61 -6.911 -1.293 -7.360 448 2HE LYS 61 HE1 LYS 61 -7.854 -2.705 -6.936 449 1HZ LYS 61 HZ1 LYS 61 -5.887 -1.293 -5.139 450 2HZ LYS 61 HZ2 LYS 61 -6.714 -2.694 -4.721 451 3HZ LYS 61 HZ3 LYS 61 -7.542 -1.290 -5.053 452 H ARG 62 H ARG 62 -0.483 0.101 -6.442 453 HA ARG 62 HA ARG 62 0.263 -0.226 -9.182 454 1HB ARG 62 HB2 ARG 62 -0.371 1.815 -10.177 455 2HB ARG 62 HB1 ARG 62 -1.797 1.301 -9.317 456 1HG ARG 62 HG2 ARG 62 0.146 3.374 -8.316 457 2HG ARG 62 HG1 ARG 62 -1.348 3.744 -9.170 458 1HD ARG 62 HD2 ARG 62 -1.036 2.402 -6.506 459 2HD ARG 62 HD1 ARG 62 -1.647 4.030 -6.831 460 HE ARG 62 HE ARG 62 -3.339 2.510 -8.237 461 1HH1 ARG 62 HH11 ARG 62 -2.104 2.107 -4.945 462 2HH1 ARG 62 HH12 ARG 62 -3.505 1.340 -4.420 463 1HH2 ARG 62 HH21 ARG 62 -5.331 1.504 -7.390 464 2HH2 ARG 62 HH22 ARG 62 -5.325 1.061 -5.731 465 H TYR 63 H TYR 63 2.043 1.156 -9.860 466 HA TYR 63 HA TYR 63 4.028 1.102 -7.840 467 1HB TYR 63 HB2 TYR 63 4.107 2.098 -10.696 468 2HB TYR 63 HB1 TYR 63 5.513 2.017 -9.650 469 HD1 TYR 63 HD1 TYR 63 6.708 0.016 -9.398 470 HD2 TYR 63 HD2 TYR 63 2.893 -0.066 -11.274 471 HE1 TYR 63 HE1 TYR 63 7.094 -2.310 -10.069 472 HE2 TYR 63 HE2 TYR 63 3.274 -2.401 -11.947 473 HH TYR 63 HH TYR 63 5.126 -3.850 -12.339 474 H ASP 64 H ASP 64 2.122 3.568 -9.316 475 HA ASP 64 HA ASP 64 3.442 5.913 -8.635 476 1HB ASP 64 HB2 ASP 64 0.472 5.369 -8.751 477 2HB ASP 64 HB1 ASP 64 1.108 6.950 -8.346 478 H ALA 65 H ALA 65 1.458 3.946 -6.523 479 HA ALA 65 HA ALA 65 1.107 5.907 -4.538 480 1HB ALA 65 HB1 ALA 65 0.425 4.032 -3.096 481 2HB ALA 65 HB2 ALA 65 0.961 2.911 -4.362 482 3HB ALA 65 HB3 ALA 65 -0.361 4.027 -4.667 483 H LEU 66 H LEU 66 3.717 3.804 -5.210 484 HA LEU 66 HA LEU 66 5.013 4.175 -2.644 485 1HB LEU 66 HB2 LEU 66 6.160 3.117 -5.184 486 2HB LEU 66 HB1 LEU 66 6.920 3.004 -3.611 487 HG LEU 66 HG LEU 66 6.126 0.884 -3.967 488 1HD1 LEU 66 HD11 LEU 66 4.284 0.497 -2.435 489 2HD1 LEU 66 HD12 LEU 66 3.909 2.217 -2.470 490 3HD1 LEU 66 HD13 LEU 66 5.446 1.664 -1.790 491 1HD2 LEU 66 HD21 LEU 66 3.585 2.067 -5.052 492 2HD2 LEU 66 HD22 LEU 66 3.907 0.338 -4.877 493 3HD2 LEU 66 HD23 LEU 66 4.883 1.321 -5.974 494 H SER 67 H SER 67 5.151 5.499 -5.834 495 HA SER 67 HA SER 67 7.624 6.871 -5.554 496 1HB SER 67 HB2 SER 67 5.282 6.889 -7.317 497 2HB SER 67 HB1 SER 67 6.571 8.066 -7.611 498 HG SER 67 HG SER 67 7.207 6.368 -8.786 499 H GLU 68 H GLU 68 4.271 7.776 -5.545 500 HA GLU 68 HA GLU 68 4.730 10.462 -4.785 501 1HB GLU 68 HB2 GLU 68 2.023 9.264 -4.387 502 2HB GLU 68 HB1 GLU 68 2.522 10.812 -5.042 503 1HG GLU 68 HG2 GLU 68 3.465 9.495 -7.022 504 2HG GLU 68 HG1 GLU 68 2.554 8.184 -6.389 505 H HIS 69 H HIS 69 4.538 7.561 -3.208 506 HA HIS 69 HA HIS 69 3.393 7.993 -0.766 507 1HB HIS 69 HB2 HIS 69 4.572 5.936 -1.665 508 2HB HIS 69 HB1 HIS 69 6.027 6.658 -0.928 509 HD1 HIS 69 HD1 HIS 69 2.577 5.451 0.015 510 HD2 HIS 69 HD2 HIS 69 6.301 6.175 1.583 511 HE1 HIS 69 HE1 HIS 69 2.463 4.623 2.398 512 H ASN 70 H ASN 70 6.897 8.611 -1.408 513 HA ASN 70 HA ASN 70 7.273 10.016 1.074 514 1HB ASN 70 HB2 ASN 70 9.440 10.747 0.188 515 2HB ASN 70 HB1 ASN 70 9.191 9.016 0.070 516 1HD2 ASN 70 HD21 ASN 70 10.912 9.217 -1.297 517 2HD2 ASN 70 HD22 ASN 70 10.658 9.483 -3.007 518 H LEU 71 H LEU 71 5.846 10.941 -1.736 519 HA LEU 71 HA LEU 71 6.367 13.754 -1.497 520 1HB LEU 71 HB2 LEU 71 5.980 13.176 -3.696 521 2HB LEU 71 HB1 LEU 71 4.797 11.960 -3.299 522 HG LEU 71 HG LEU 71 3.135 13.653 -2.954 523 1HD1 LEU 71 HD11 LEU 71 4.582 15.554 -2.262 524 2HD1 LEU 71 HD12 LEU 71 3.597 16.026 -3.648 525 3HD1 LEU 71 HD13 LEU 71 5.296 15.603 -3.874 526 1HD2 LEU 71 HD21 LEU 71 3.357 12.677 -5.140 527 2HD2 LEU 71 HD22 LEU 71 4.561 13.877 -5.598 528 3HD2 LEU 71 HD23 LEU 71 2.895 14.370 -5.303 529 H LYS 72 H LYS 72 3.635 11.617 -0.880 530 HA LYS 72 HA LYS 72 2.398 13.820 0.590 531 1HB LYS 72 HB2 LYS 72 0.373 12.029 0.274 532 2HB LYS 72 HB1 LYS 72 0.612 13.460 -0.742 533 1HG LYS 72 HG2 LYS 72 2.029 11.873 -2.173 534 2HG LYS 72 HG1 LYS 72 1.333 10.573 -1.260 535 1HD LYS 72 HD2 LYS 72 -0.188 12.585 -2.909 536 2HD LYS 72 HD1 LYS 72 0.089 10.884 -3.288 537 1HE LYS 72 HE2 LYS 72 -1.312 10.228 -1.334 538 2HE LYS 72 HE1 LYS 72 -1.518 11.918 -0.935 539 1HZ LYS 72 HZ1 LYS 72 -3.376 10.983 -2.027 540 2HZ LYS 72 HZ2 LYS 72 -2.480 10.594 -3.403 541 3HZ LYS 72 HZ3 LYS 72 -2.733 12.220 -2.970 542 H TYR 73 H TYR 73 3.189 10.531 0.860 543 HA TYR 73 HA TYR 73 1.965 10.200 3.488 544 1HB TYR 73 HB2 TYR 73 3.556 8.360 1.761 545 2HB TYR 73 HB1 TYR 73 2.881 7.878 3.320 546 HD1 TYR 73 HD1 TYR 73 1.787 9.438 0.078 547 HD2 TYR 73 HD2 TYR 73 0.899 6.753 3.244 548 HE1 TYR 73 HE1 TYR 73 -0.197 8.765 -1.077 549 HE2 TYR 73 HE2 TYR 73 -1.135 6.090 2.087 550 HH TYR 73 HH TYR 73 -2.654 7.113 0.470 551 H HIS 74 H HIS 74 5.290 9.898 2.160 552 HA HIS 74 HA HIS 74 6.283 10.532 4.893 553 1HB HIS 74 HB2 HIS 74 7.635 8.907 2.719 554 2HB HIS 74 HB1 HIS 74 8.413 9.331 4.243 555 HD1 HIS 74 HD1 HIS 74 5.975 8.439 6.133 556 HD2 HIS 74 HD2 HIS 74 7.574 6.270 2.985 557 HE1 HIS 74 HE1 HIS 74 5.231 6.065 6.494 558 HA PRO 75 HA PRO 75 7.356 13.885 1.821 559 1HB PRO 75 HB2 PRO 75 6.546 16.003 3.251 560 2HB PRO 75 HB1 PRO 75 5.410 15.006 2.330 561 1HG PRO 75 HG2 PRO 75 6.075 14.853 5.263 562 2HG PRO 75 HG1 PRO 75 4.474 14.863 4.492 563 1HD PRO 75 HD2 PRO 75 5.679 12.573 5.286 564 2HD PRO 75 HD1 PRO 75 4.649 12.666 3.839 565 H GLY 76 H GLY 76 8.998 15.219 1.646 566 1HA GLY 76 HA2 GLY 76 10.449 16.675 3.319 567 2HA GLY 76 HA1 GLY 76 11.038 15.061 3.692 568 H GLU 77 H GLU 77 11.014 13.876 1.241 569 HA GLU 77 HA GLU 77 12.505 15.390 -0.692 570 1HB GLU 77 HB2 GLU 77 14.519 13.948 -0.541 571 2HB GLU 77 HB1 GLU 77 14.321 14.974 0.871 572 1HG GLU 77 HG2 GLU 77 13.563 13.150 2.190 573 2HG GLU 77 HG1 GLU 77 13.428 12.113 0.770 574 H GLU 78 H GLU 78 13.343 13.697 -2.391 575 HA GLU 78 HA GLU 78 11.375 11.525 -2.485 576 1HB GLU 78 HB2 GLU 78 10.795 13.452 -3.981 577 2HB GLU 78 HB1 GLU 78 12.359 13.184 -4.754 578 1HG GLU 78 HG2 GLU 78 11.667 11.014 -5.493 579 2HG GLU 78 HG1 GLU 78 10.108 11.186 -4.680 580 H ASN 79 H ASN 79 12.825 9.998 -1.856 581 HA ASN 79 HA ASN 79 14.800 9.119 -3.799 582 1HB ASN 79 HB2 ASN 79 15.662 9.830 -0.972 583 2HB ASN 79 HB1 ASN 79 16.672 8.991 -2.146 584 1HD2 ASN 79 HD21 ASN 79 15.269 11.920 -1.175 585 2HD2 ASN 79 HD22 ASN 79 16.012 13.009 -2.302 586 H PHE 80 H PHE 80 13.610 7.297 -3.938 587 HA PHE 80 HA PHE 80 13.429 5.587 -1.556 588 1HB PHE 80 HB2 PHE 80 11.680 6.038 -3.857 589 2HB PHE 80 HB1 PHE 80 11.953 4.353 -3.484 590 HD1 PHE 80 HD1 PHE 80 10.066 7.271 -2.664 591 HD2 PHE 80 HD2 PHE 80 11.504 3.608 -1.108 592 HE1 PHE 80 HE1 PHE 80 8.259 7.283 -0.968 593 HE2 PHE 80 HE2 PHE 80 9.713 3.594 0.554 594 HZ PHE 80 HZ PHE 80 8.080 5.435 0.628 595 H LYS 81 H LYS 81 14.065 3.459 -1.700 596 HA LYS 81 HA LYS 81 15.867 2.784 -3.936 597 1HB LYS 81 HB2 LYS 81 17.379 1.929 -2.390 598 2HB LYS 81 HB1 LYS 81 16.519 3.077 -1.348 599 1HG LYS 81 HG2 LYS 81 15.139 1.383 -0.448 600 2HG LYS 81 HG1 LYS 81 15.753 0.199 -1.591 601 1HD LYS 81 HD2 LYS 81 18.041 0.657 -0.550 602 2HD LYS 81 HD1 LYS 81 17.102 1.437 0.743 603 1HE LYS 81 HE2 LYS 81 15.789 -0.599 1.027 604 2HE LYS 81 HE1 LYS 81 16.723 -1.357 -0.257 605 1HZ LYS 81 HZ1 LYS 81 18.686 -1.275 1.114 606 2HZ LYS 81 HZ2 LYS 81 17.443 -1.985 2.022 607 3HZ LYS 81 HZ3 LYS 81 17.879 -0.389 2.305 608 H LEU 82 H LEU 82 15.937 0.274 -4.224 609 HA LEU 82 HA LEU 82 13.320 -0.837 -3.601 610 1HB LEU 82 HB2 LEU 82 13.258 -1.998 -5.763 611 2HB LEU 82 HB1 LEU 82 13.223 -0.264 -5.952 612 HG LEU 82 HG LEU 82 15.786 -1.800 -6.269 613 1HD1 LEU 82 HD11 LEU 82 13.703 -1.214 -8.394 614 2HD1 LEU 82 HD12 LEU 82 14.119 -2.812 -7.778 615 3HD1 LEU 82 HD13 LEU 82 15.306 -1.884 -8.693 616 1HD2 LEU 82 HD21 LEU 82 15.940 0.640 -6.103 617 2HD2 LEU 82 HD22 LEU 82 14.798 0.811 -7.437 618 3HD2 LEU 82 HD23 LEU 82 16.382 0.090 -7.718 619 H THR 83 H THR 83 13.336 -2.802 -2.744 620 HA THR 83 HA THR 83 15.671 -4.457 -3.055 621 HB THR 83 HB THR 83 16.173 -3.292 -1.018 622 HG1 THR 83 HG1 THR 83 16.072 -5.794 -1.054 623 1HG2 THR 83 HG21 THR 83 13.426 -3.998 0.015 624 2HG2 THR 83 HG22 THR 83 13.932 -2.399 -0.512 625 3HG2 THR 83 HG23 THR 83 14.674 -3.132 0.918 626 H MET 84 H MET 84 14.782 -6.477 -3.734 627 HA MET 84 HA MET 84 11.927 -6.838 -3.092 628 1HB MET 84 HB2 MET 84 12.677 -7.163 -5.445 629 2HB MET 84 HB1 MET 84 13.756 -8.430 -4.861 630 1HG MET 84 HG2 MET 84 11.836 -9.753 -4.147 631 2HG MET 84 HG1 MET 84 10.748 -8.494 -4.719 632 1HE MET 84 HE1 MET 84 13.322 -11.279 -5.701 633 2HE MET 84 HE2 MET 84 14.084 -9.862 -6.431 634 3HE MET 84 HE3 MET 84 13.402 -11.121 -7.452 635 H VAL 85 H VAL 85 11.774 -7.569 -1.153 636 HA VAL 85 HA VAL 85 12.631 -10.258 -0.687 637 HB VAL 85 HB VAL 85 13.182 -9.452 1.799 638 1HG1 VAL 85 HG11 VAL 85 15.091 -9.095 -0.509 639 2HG1 VAL 85 HG12 VAL 85 14.798 -10.599 0.369 640 3HG1 VAL 85 HG13 VAL 85 15.574 -9.232 1.179 641 1HG2 VAL 85 HG21 VAL 85 13.893 -7.011 0.156 642 2HG2 VAL 85 HG22 VAL 85 14.341 -7.268 1.843 643 3HG2 VAL 85 HG23 VAL 85 12.640 -7.070 1.398 644 H LYS 86 H LYS 86 10.548 -11.155 -0.388 645 HA LYS 86 HA LYS 86 9.075 -9.763 1.666 646 1HB LYS 86 HB2 LYS 86 8.219 -9.089 -0.656 647 2HB LYS 86 HB1 LYS 86 7.551 -10.728 -0.730 648 1HG LYS 86 HG2 LYS 86 5.864 -9.254 -0.083 649 2HG LYS 86 HG1 LYS 86 6.282 -10.308 1.254 650 1HD LYS 86 HD2 LYS 86 7.405 -8.661 2.468 651 2HD LYS 86 HD1 LYS 86 7.667 -7.657 1.052 652 1HE LYS 86 HE2 LYS 86 5.454 -6.783 1.143 653 2HE LYS 86 HE1 LYS 86 4.901 -8.059 2.237 654 1HZ LYS 86 HZ1 LYS 86 5.252 -5.981 3.307 655 2HZ LYS 86 HZ2 LYS 86 6.912 -5.976 2.793 656 3HZ LYS 86 HZ3 LYS 86 6.349 -7.139 3.879 657 H ARG 87 H ARG 87 8.764 -11.075 3.179 658 HA ARG 87 HA ARG 87 8.860 -13.902 2.529 659 1HB ARG 87 HB2 ARG 87 9.656 -12.454 5.074 660 2HB ARG 87 HB1 ARG 87 9.772 -14.184 4.815 661 1HG ARG 87 HG2 ARG 87 11.985 -13.474 4.422 662 2HG ARG 87 HG1 ARG 87 11.267 -13.559 2.810 663 1HD ARG 87 HD2 ARG 87 12.591 -11.530 3.019 664 2HD ARG 87 HD1 ARG 87 10.887 -11.152 2.806 665 HE ARG 87 HE ARG 87 11.848 -11.253 5.536 666 1HH1 ARG 87 HH11 ARG 87 11.024 -9.065 2.787 667 2HH1 ARG 87 HH12 ARG 87 11.036 -7.687 3.707 668 1HH2 ARG 87 HH21 ARG 87 11.867 -9.326 6.777 669 2HH2 ARG 87 HH22 ARG 87 11.564 -7.808 6.065 670 H ASN 88 H ASN 88 7.422 -15.303 3.593 671 HA ASN 88 HA ASN 88 5.451 -16.035 4.435 672 1HB ASN 88 HB2 ASN 88 5.217 -13.319 5.782 673 2HB ASN 88 HB1 ASN 88 4.130 -14.669 6.063 674 1HD2 ASN 88 HD21 ASN 88 5.758 -13.242 7.924 675 2HD2 ASN 88 HD22 ASN 88 6.834 -14.366 8.661 676 H ASN 89 H ASN 89 5.817 -14.144 2.108 677 HA ASN 89 HA ASN 89 3.027 -14.033 1.257 678 1HB ASN 89 HB2 ASN 89 4.896 -11.632 1.095 679 2HB ASN 89 HB1 ASN 89 3.281 -11.707 0.431 680 1HD2 ASN 89 HD21 ASN 89 5.187 -11.281 3.265 681 2HD2 ASN 89 HD22 ASN 89 3.950 -10.749 4.316 682 H GLN 90 H GLN 90 3.866 -12.475 -1.094 683 HA GLN 90 HA GLN 90 5.393 -14.528 -2.495 684 1HB GLN 90 HB2 GLN 90 4.760 -13.357 -4.496 685 2HB GLN 90 HB1 GLN 90 3.287 -13.676 -3.541 686 1HG GLN 90 HG2 GLN 90 4.750 -11.103 -3.590 687 2HG GLN 90 HG1 GLN 90 3.475 -11.469 -4.764 688 1HE2 GLN 90 HE21 GLN 90 4.274 -10.579 -1.547 689 2HE2 GLN 90 HE22 GLN 90 2.644 -10.348 -0.982 690 H THR 91 H THR 91 7.060 -13.554 -4.050 691 HA THR 91 HA THR 91 8.448 -11.575 -2.511 692 HB THR 91 HB THR 91 10.310 -12.194 -4.271 693 HG1 THR 91 HG1 THR 91 9.903 -13.918 -5.444 694 1HG2 THR 91 HG21 THR 91 11.023 -14.059 -2.790 695 2HG2 THR 91 HG22 THR 91 9.407 -14.146 -2.109 696 3HG2 THR 91 HG23 THR 91 10.392 -12.738 -1.814 697 H ILE 92 H ILE 92 8.176 -9.718 -2.883 698 HA ILE 92 HA ILE 92 7.693 -8.551 -5.448 699 HB ILE 92 HB ILE 92 6.082 -6.963 -4.212 700 1HG1 ILE 92 HG12 ILE 92 4.759 -8.379 -2.444 701 2HG1 ILE 92 HG11 ILE 92 6.302 -9.176 -2.292 702 1HG2 ILE 92 HG21 ILE 92 4.146 -8.417 -4.591 703 2HG2 ILE 92 HG22 ILE 92 5.267 -9.766 -4.860 704 3HG2 ILE 92 HG23 ILE 92 5.282 -8.381 -5.928 705 1HD1 ILE 92 HD11 ILE 92 7.454 -7.182 -1.747 706 2HD1 ILE 92 HD12 ILE 92 6.063 -7.323 -0.684 707 3HD1 ILE 92 HD13 ILE 92 6.035 -6.204 -2.042 708 H PHE 93 H PHE 93 8.061 -6.139 -5.365 709 HA PHE 93 HA PHE 93 10.716 -5.932 -4.202 710 1HB PHE 93 HB2 PHE 93 9.148 -4.130 -6.022 711 2HB PHE 93 HB1 PHE 93 10.823 -3.889 -5.605 712 HD1 PHE 93 HD1 PHE 93 8.424 -5.765 -7.598 713 HD2 PHE 93 HD2 PHE 93 12.516 -5.289 -6.583 714 HE1 PHE 93 HE1 PHE 93 9.049 -7.039 -9.604 715 HE2 PHE 93 HE2 PHE 93 13.167 -6.574 -8.599 716 HZ PHE 93 HZ PHE 93 11.417 -7.440 -10.110 717 H GLU 94 H GLU 94 11.003 -4.860 -2.353 718 HA GLU 94 HA GLU 94 8.895 -3.181 -1.352 719 1HB GLU 94 HB2 GLU 94 11.410 -4.104 0.100 720 2HB GLU 94 HB1 GLU 94 9.976 -3.364 0.786 721 1HG GLU 94 HG2 GLU 94 8.795 -5.436 -0.179 722 2HG GLU 94 HG1 GLU 94 10.395 -6.175 -0.066 723 H GLN 95 H GLN 95 9.250 -1.100 -0.951 724 HA GLN 95 HA GLN 95 11.716 0.005 -2.110 725 1HB GLN 95 HB2 GLN 95 9.468 0.236 -3.385 726 2HB GLN 95 HB1 GLN 95 9.027 1.377 -2.122 727 1HG GLN 95 HG2 GLN 95 10.859 2.789 -2.683 728 2HG GLN 95 HG1 GLN 95 11.477 1.597 -3.822 729 1HE2 GLN 95 HE21 GLN 95 9.141 4.087 -3.237 730 2HE2 GLN 95 HE22 GLN 95 8.597 4.217 -4.868 731 H THR 96 H THR 96 12.939 0.857 -0.500 732 HA THR 96 HA THR 96 11.604 2.039 1.850 733 HB THR 96 HB THR 96 14.410 1.654 2.252 734 HG1 THR 96 HG1 THR 96 14.106 -0.774 2.232 735 1HG2 THR 96 HG21 THR 96 12.770 1.794 4.049 736 2HG2 THR 96 HG22 THR 96 13.590 0.226 4.127 737 3HG2 THR 96 HG23 THR 96 11.975 0.342 3.458 738 H ILE 97 H ILE 97 12.777 3.830 2.819 739 HA ILE 97 HA ILE 97 13.934 5.599 0.759 740 HB ILE 97 HB ILE 97 12.936 6.447 3.502 741 1HG1 ILE 97 HG12 ILE 97 11.290 6.593 1.023 742 2HG1 ILE 97 HG11 ILE 97 11.265 5.101 1.914 743 1HG2 ILE 97 HG21 ILE 97 14.346 7.943 1.998 744 2HG2 ILE 97 HG22 ILE 97 12.777 8.583 2.403 745 3HG2 ILE 97 HG23 ILE 97 13.050 7.849 0.804 746 1HD1 ILE 97 HD11 ILE 97 9.442 6.177 2.656 747 2HD1 ILE 97 HD12 ILE 97 10.133 7.764 2.581 748 3HD1 ILE 97 HD13 ILE 97 10.577 6.648 3.912 749 H ASN 98 H ASN 98 15.723 6.854 1.356 750 HA ASN 98 HA ASN 98 17.518 5.417 3.115 751 1HB ASN 98 HB2 ASN 98 19.230 6.951 1.984 752 2HB ASN 98 HB1 ASN 98 18.465 5.728 0.969 753 1HD2 ASN 98 HD21 ASN 98 16.965 8.813 1.965 754 2HD2 ASN 98 HD22 ASN 98 16.926 9.453 0.384 755 H ASP 99 H ASP 99 15.289 7.566 3.744 756 HA ASP 99 HA ASP 99 16.868 8.976 5.738 757 1HB ASP 99 HB2 ASP 99 17.055 10.130 3.463 758 2HB ASP 99 HB1 ASP 99 15.431 10.679 3.797 759 H LEU 100 H LEU 100 13.731 9.053 3.960 760 HA LEU 100 HA LEU 100 12.316 10.354 6.075 761 1HB LEU 100 HB2 LEU 100 11.131 8.912 3.646 762 2HB LEU 100 HB1 LEU 100 10.410 10.106 4.679 763 HG LEU 100 HG LEU 100 12.852 10.997 3.271 764 1HD1 LEU 100 HD11 LEU 100 11.739 9.778 1.462 765 2HD1 LEU 100 HD12 LEU 100 11.445 11.506 1.281 766 3HD1 LEU 100 HD13 LEU 100 10.206 10.465 1.979 767 1HD2 LEU 100 HD21 LEU 100 10.126 12.157 3.636 768 2HD2 LEU 100 HD22 LEU 100 11.552 12.956 3.023 769 3HD2 LEU 100 HD23 LEU 100 11.496 12.450 4.737 770 H THR 101 H THR 101 13.540 7.479 5.937 771 HA THR 101 HA THR 101 11.694 5.567 6.678 772 HB THR 101 HB THR 101 14.628 5.873 7.282 773 HG1 THR 101 HG1 THR 101 13.325 4.742 5.065 774 1HG2 THR 101 HG21 THR 101 14.703 3.430 7.106 775 2HG2 THR 101 HG22 THR 101 12.979 3.384 6.789 776 3HG2 THR 101 HG23 THR 101 13.570 3.894 8.380 777 H PHE 102 H PHE 102 13.264 8.171 8.313 778 HA PHE 102 HA PHE 102 12.710 7.021 10.956 779 1HB PHE 102 HB2 PHE 102 14.661 9.201 10.193 780 2HB PHE 102 HB1 PHE 102 14.429 8.551 11.811 781 HD1 PHE 102 HD1 PHE 102 15.117 6.238 12.325 782 HD2 PHE 102 HD2 PHE 102 15.952 8.030 8.561 783 HE1 PHE 102 HE1 PHE 102 16.757 4.470 11.851 784 HE2 PHE 102 HE2 PHE 102 17.598 6.270 8.080 785 HZ PHE 102 HZ PHE 102 17.998 4.482 9.726 Start of MODEL 18 1 HA MET 1 HA MET 1 14.111 7.721 -13.480 2 1HB MET 1 HB2 MET 1 14.722 8.743 -10.711 3 2HB MET 1 HB1 MET 1 13.176 8.012 -11.107 4 1HG MET 1 HG2 MET 1 14.650 6.418 -10.041 5 2HG MET 1 HG1 MET 1 14.303 5.935 -11.696 6 1HE MET 1 HE1 MET 1 16.623 4.695 -9.922 7 2HE MET 1 HE2 MET 1 17.939 4.619 -11.094 8 3HE MET 1 HE3 MET 1 16.300 4.188 -11.580 9 H ALA 2 H ALA 2 11.954 8.329 -13.362 10 HA ALA 2 HA ALA 2 10.220 9.574 -13.822 11 1HB ALA 2 HB1 ALA 2 9.569 11.243 -12.261 12 2HB ALA 2 HB2 ALA 2 11.237 11.519 -11.780 13 3HB ALA 2 HB3 ALA 2 10.452 9.987 -11.386 14 H HIS 3 H HIS 3 10.953 9.958 -15.933 15 HA HIS 3 HA HIS 3 11.547 12.761 -16.505 16 1HB HIS 3 HB2 HIS 3 11.204 10.344 -18.311 17 2HB HIS 3 HB1 HIS 3 11.377 11.982 -18.937 18 HD1 HIS 3 HD1 HIS 3 13.736 12.695 -19.387 19 HD2 HIS 3 HD2 HIS 3 13.523 9.547 -16.697 20 HE1 HIS 3 HE1 HIS 3 16.099 12.061 -18.888 21 H HIS 4 H HIS 4 9.091 10.499 -16.237 22 HA HIS 4 HA HIS 4 7.076 12.475 -16.965 23 1HB HIS 4 HB2 HIS 4 6.842 9.451 -16.696 24 2HB HIS 4 HB1 HIS 4 5.529 10.542 -17.109 25 HD1 HIS 4 HD1 HIS 4 8.326 8.608 -18.631 26 HD2 HIS 4 HD2 HIS 4 5.733 11.675 -19.725 27 HE1 HIS 4 HE1 HIS 4 8.450 8.769 -21.121 28 H HIS 5 H HIS 5 6.094 13.301 -15.213 29 HA HIS 5 HA HIS 5 6.870 12.259 -12.629 30 1HB HIS 5 HB2 HIS 5 6.917 14.711 -13.107 31 2HB HIS 5 HB1 HIS 5 5.184 14.681 -13.353 32 HD1 HIS 5 HD1 HIS 5 7.656 13.976 -10.467 33 HD2 HIS 5 HD2 HIS 5 3.791 15.337 -11.181 34 HE1 HIS 5 HE1 HIS 5 6.752 14.681 -8.254 35 H HIS 6 H HIS 6 4.305 12.169 -14.811 36 HA HIS 6 HA HIS 6 2.454 10.959 -15.004 37 1HB HIS 6 HB2 HIS 6 3.462 9.516 -12.543 38 2HB HIS 6 HB1 HIS 6 2.027 9.024 -13.431 39 HD1 HIS 6 HD1 HIS 6 2.519 8.233 -16.020 40 HD2 HIS 6 HD2 HIS 6 5.806 8.548 -13.494 41 HE1 HIS 6 HE1 HIS 6 4.371 6.962 -17.127 42 H HIS 7 H HIS 7 2.526 13.418 -13.403 43 HA HIS 7 HA HIS 7 0.226 12.955 -11.707 44 1HB HIS 7 HB2 HIS 7 1.986 14.541 -10.910 45 2HB HIS 7 HB1 HIS 7 1.568 15.635 -12.234 46 HD1 HIS 7 HD1 HIS 7 0.075 17.512 -11.346 47 HD2 HIS 7 HD2 HIS 7 -0.551 13.903 -9.387 48 HE1 HIS 7 HE1 HIS 7 -1.689 17.952 -9.614 49 H HIS 8 H HIS 8 -1.144 12.292 -13.176 50 HA HIS 8 HA HIS 8 -1.831 13.743 -15.523 51 1HB HIS 8 HB2 HIS 8 -1.977 11.277 -15.371 52 2HB HIS 8 HB1 HIS 8 -3.220 11.436 -14.145 53 HD1 HIS 8 HD1 HIS 8 -2.740 12.420 -17.827 54 HD2 HIS 8 HD2 HIS 8 -5.695 11.323 -15.125 55 HE1 HIS 8 HE1 HIS 8 -4.862 12.177 -19.159 56 H ASN 9 H ASN 9 -3.268 13.266 -12.360 57 HA ASN 9 HA ASN 9 -4.457 15.763 -12.076 58 1HB ASN 9 HB2 ASN 9 -6.794 15.551 -12.597 59 2HB ASN 9 HB1 ASN 9 -5.944 14.972 -14.017 60 1HD2 ASN 9 HD21 ASN 9 -8.145 14.190 -11.495 61 2HD2 ASN 9 HD22 ASN 9 -8.499 12.591 -11.998 62 H GLN 10 H GLN 10 -4.259 12.443 -11.335 63 HA GLN 10 HA GLN 10 -4.302 11.281 -9.489 64 1HB GLN 10 HB2 GLN 10 -4.750 13.907 -8.119 65 2HB GLN 10 HB1 GLN 10 -4.902 12.397 -7.229 66 1HG GLN 10 HG2 GLN 10 -2.488 13.291 -8.764 67 2HG GLN 10 HG1 GLN 10 -2.683 13.361 -7.008 68 1HE2 GLN 10 HE21 GLN 10 -2.690 11.468 -5.862 69 2HE2 GLN 10 HE22 GLN 10 -2.005 10.003 -6.457 70 H GLN 11 H GLN 11 -5.614 9.837 -9.568 71 HA GLN 11 HA GLN 11 -8.457 10.395 -9.493 72 1HB GLN 11 HB2 GLN 11 -6.974 7.805 -9.951 73 2HB GLN 11 HB1 GLN 11 -8.692 8.084 -10.181 74 1HG GLN 11 HG2 GLN 11 -8.225 9.624 -11.990 75 2HG GLN 11 HG1 GLN 11 -6.495 9.414 -11.740 76 1HE2 GLN 11 HE21 GLN 11 -8.840 6.823 -11.519 77 2HE2 GLN 11 HE22 GLN 11 -8.278 5.975 -12.896 78 H ASN 12 H ASN 12 -9.586 9.905 -7.733 79 HA ASN 12 HA ASN 12 -8.207 9.683 -5.285 80 1HB ASN 12 HB2 ASN 12 -11.144 9.535 -5.884 81 2HB ASN 12 HB1 ASN 12 -10.467 9.599 -4.258 82 1HD2 ASN 12 HD21 ASN 12 -9.503 11.468 -3.558 83 2HD2 ASN 12 HD22 ASN 12 -9.762 12.988 -4.338 84 H LYS 13 H LYS 13 -9.209 7.246 -7.352 85 HA LYS 13 HA LYS 13 -9.606 5.227 -5.362 86 1HB LYS 13 HB2 LYS 13 -10.469 5.102 -7.695 87 2HB LYS 13 HB1 LYS 13 -8.819 4.895 -8.263 88 1HG LYS 13 HG2 LYS 13 -8.689 2.839 -6.833 89 2HG LYS 13 HG1 LYS 13 -10.408 3.024 -6.520 90 1HD LYS 13 HD2 LYS 13 -9.163 2.668 -9.256 91 2HD LYS 13 HD1 LYS 13 -9.869 1.380 -8.308 92 1HE LYS 13 HE2 LYS 13 -11.454 2.037 -9.984 93 2HE LYS 13 HE1 LYS 13 -12.077 2.538 -8.423 94 1HZ LYS 13 HZ1 LYS 13 -10.729 4.362 -10.387 95 2HZ LYS 13 HZ2 LYS 13 -11.556 4.830 -8.971 96 3HZ LYS 13 HZ3 LYS 13 -12.379 4.161 -10.242 97 H LYS 14 H LYS 14 -6.879 6.711 -6.959 98 HA LYS 14 HA LYS 14 -5.284 4.494 -6.086 99 1HB LYS 14 HB2 LYS 14 -3.505 5.216 -7.676 100 2HB LYS 14 HB1 LYS 14 -4.995 4.698 -8.423 101 1HG LYS 14 HG2 LYS 14 -4.461 6.519 -9.704 102 2HG LYS 14 HG1 LYS 14 -5.494 7.261 -8.490 103 1HD LYS 14 HD2 LYS 14 -3.581 8.706 -8.679 104 2HD LYS 14 HD1 LYS 14 -3.440 7.727 -7.197 105 1HE LYS 14 HE2 LYS 14 -1.747 6.449 -7.963 106 2HE LYS 14 HE1 LYS 14 -2.103 6.744 -9.681 107 1HZ LYS 14 HZ1 LYS 14 -0.159 7.955 -9.131 108 2HZ LYS 14 HZ2 LYS 14 -0.800 8.502 -7.683 109 3HZ LYS 14 HZ3 LYS 14 -1.389 9.107 -9.131 110 H VAL 15 H VAL 15 -5.497 5.158 -4.050 111 HA VAL 15 HA VAL 15 -4.470 5.607 -2.182 112 HB VAL 15 HB VAL 15 -2.372 5.215 -3.951 113 1HG1 VAL 15 HG11 VAL 15 -1.631 7.484 -4.001 114 2HG1 VAL 15 HG12 VAL 15 -0.511 6.530 -2.995 115 3HG1 VAL 15 HG13 VAL 15 -1.705 7.583 -2.237 116 1HG2 VAL 15 HG21 VAL 15 -2.509 5.450 -1.026 117 2HG2 VAL 15 HG22 VAL 15 -1.179 4.615 -1.860 118 3HG2 VAL 15 HG23 VAL 15 -2.859 3.999 -1.956 119 H GLU 16 H GLU 16 -5.319 6.993 -0.966 120 HA GLU 16 HA GLU 16 -5.149 9.771 -1.680 121 1HB GLU 16 HB2 GLU 16 -6.773 8.333 0.399 122 2HB GLU 16 HB1 GLU 16 -6.878 10.065 0.069 123 1HG GLU 16 HG2 GLU 16 -7.168 8.056 -2.043 124 2HG GLU 16 HG1 GLU 16 -8.571 8.465 -1.037 125 H GLY 17 H GLY 17 -5.239 8.402 1.573 126 1HA GLY 17 HA2 GLY 17 -2.589 9.553 1.968 127 2HA GLY 17 HA1 GLY 17 -3.890 10.023 3.069 128 H GLY 18 H GLY 18 -4.620 6.979 2.418 129 1HA GLY 18 HA2 GLY 18 -3.038 6.104 4.681 130 2HA GLY 18 HA1 GLY 18 -4.603 5.423 4.243 131 H TYR 19 H TYR 19 -3.688 3.356 4.369 132 HA TYR 19 HA TYR 19 -1.595 2.746 2.410 133 1HB TYR 19 HB2 TYR 19 -2.568 1.036 4.690 134 2HB TYR 19 HB1 TYR 19 -1.059 0.866 3.786 135 HD1 TYR 19 HD1 TYR 19 -2.228 1.714 6.883 136 HD2 TYR 19 HD2 TYR 19 0.279 3.339 3.841 137 HE1 TYR 19 HE1 TYR 19 -1.176 3.157 8.535 138 HE2 TYR 19 HE2 TYR 19 1.357 4.791 5.514 139 HH TYR 19 HH TYR 19 0.750 5.797 7.718 140 H GLU 20 H GLU 20 -2.341 2.089 0.596 141 HA GLU 20 HA GLU 20 -4.881 0.693 0.434 142 1HB GLU 20 HB2 GLU 20 -4.533 2.444 -1.226 143 2HB GLU 20 HB1 GLU 20 -2.995 1.719 -1.701 144 1HG GLU 20 HG2 GLU 20 -4.276 -0.348 -2.304 145 2HG GLU 20 HG1 GLU 20 -5.744 0.584 -2.071 146 H CYS 21 H CYS 21 -4.805 -1.410 0.618 147 HA CYS 21 HA CYS 21 -2.473 -2.999 0.368 148 1HB CYS 21 HB2 CYS 21 -5.318 -3.917 0.098 149 2HB CYS 21 HB1 CYS 21 -3.923 -4.900 0.555 150 H LYS 22 H LYS 22 -1.863 -4.373 -1.277 151 HA LYS 22 HA LYS 22 -2.675 -3.870 -3.944 152 1HB LYS 22 HB2 LYS 22 -0.382 -4.571 -3.467 153 2HB LYS 22 HB1 LYS 22 -0.946 -6.045 -2.709 154 1HG LYS 22 HG2 LYS 22 -1.506 -5.558 -5.618 155 2HG LYS 22 HG1 LYS 22 0.082 -6.120 -5.106 156 1HD LYS 22 HD2 LYS 22 -0.843 -8.078 -4.134 157 2HD LYS 22 HD1 LYS 22 -2.490 -7.494 -4.341 158 1HE LYS 22 HE2 LYS 22 -2.033 -9.161 -6.040 159 2HE LYS 22 HE1 LYS 22 -2.169 -7.587 -6.808 160 1HZ LYS 22 HZ1 LYS 22 -0.344 -8.767 -7.721 161 2HZ LYS 22 HZ2 LYS 22 0.295 -9.115 -6.234 162 3HZ LYS 22 HZ3 LYS 22 0.327 -7.513 -6.804 163 H TYR 23 H TYR 23 -3.741 -5.996 -1.441 164 HA TYR 23 HA TYR 23 -4.981 -7.774 -3.362 165 1HB TYR 23 HB2 TYR 23 -5.281 -8.752 -0.704 166 2HB TYR 23 HB1 TYR 23 -4.355 -9.436 -2.026 167 HD1 TYR 23 HD1 TYR 23 -1.916 -8.844 -2.250 168 HD2 TYR 23 HD2 TYR 23 -4.203 -7.630 1.130 169 HE1 TYR 23 HE1 TYR 23 0.147 -8.441 -0.970 170 HE2 TYR 23 HE2 TYR 23 -2.204 -7.240 2.377 171 HH TYR 23 HH TYR 23 0.080 -7.945 2.412 172 H CYS 24 H CYS 24 -5.899 -5.074 -1.872 173 HA CYS 24 HA CYS 24 -8.615 -5.786 -2.231 174 1HB CYS 24 HB2 CYS 24 -9.457 -5.315 0.013 175 2HB CYS 24 HB1 CYS 24 -8.185 -6.532 0.101 176 H THR 25 H THR 25 -9.975 -3.861 -2.247 177 HA THR 25 HA THR 25 -8.393 -1.543 -2.943 178 HB THR 25 HB THR 25 -11.382 -2.047 -3.299 179 HG1 THR 25 HG1 THR 25 -10.791 -3.201 -4.997 180 1HG2 THR 25 HG21 THR 25 -10.721 0.352 -3.475 181 2HG2 THR 25 HG22 THR 25 -11.217 -0.297 -5.036 182 3HG2 THR 25 HG23 THR 25 -9.506 -0.085 -4.678 183 H PHE 26 H PHE 26 -9.436 -2.718 -0.183 184 HA PHE 26 HA PHE 26 -10.560 -0.306 0.923 185 1HB PHE 26 HB2 PHE 26 -11.302 -2.566 1.724 186 2HB PHE 26 HB1 PHE 26 -9.686 -2.824 2.373 187 HD1 PHE 26 HD1 PHE 26 -12.854 -1.064 2.793 188 HD2 PHE 26 HD2 PHE 26 -8.928 -1.593 4.353 189 HE1 PHE 26 HE1 PHE 26 -13.532 0.045 4.883 190 HE2 PHE 26 HE2 PHE 26 -9.603 -0.485 6.436 191 HZ PHE 26 HZ PHE 26 -11.906 0.336 6.705 192 H GLN 27 H GLN 27 -9.324 1.293 1.365 193 HA GLN 27 HA GLN 27 -6.566 0.897 2.242 194 1HB GLN 27 HB2 GLN 27 -6.359 2.252 0.361 195 2HB GLN 27 HB1 GLN 27 -7.927 3.021 0.632 196 1HG GLN 27 HG2 GLN 27 -6.994 4.391 2.373 197 2HG GLN 27 HG1 GLN 27 -5.490 3.502 2.312 198 1HE2 GLN 27 HE21 GLN 27 -4.063 4.035 0.946 199 2HE2 GLN 27 HE22 GLN 27 -4.031 5.394 -0.110 200 H THR 28 H THR 28 -5.921 1.796 4.093 201 HA THR 28 HA THR 28 -7.646 3.632 5.455 202 HB THR 28 HB THR 28 -8.428 1.496 6.396 203 HG1 THR 28 HG1 THR 28 -8.514 2.929 7.951 204 1HG2 THR 28 HG21 THR 28 -5.568 1.068 7.278 205 2HG2 THR 28 HG22 THR 28 -6.372 0.158 6.003 206 3HG2 THR 28 HG23 THR 28 -6.928 0.032 7.672 207 HA PRO 29 HA PRO 29 -3.574 5.260 6.302 208 1HB PRO 29 HB2 PRO 29 -4.348 7.333 7.841 209 2HB PRO 29 HB1 PRO 29 -4.562 7.319 6.085 210 1HG PRO 29 HG2 PRO 29 -6.556 6.670 8.226 211 2HG PRO 29 HG1 PRO 29 -6.752 7.697 6.794 212 1HD PRO 29 HD2 PRO 29 -7.642 5.149 6.847 213 2HD PRO 29 HD1 PRO 29 -6.963 5.866 5.363 214 H ASP 30 H ASP 30 -5.541 3.650 8.405 215 HA ASP 30 HA ASP 30 -3.921 4.179 10.781 216 1HB ASP 30 HB2 ASP 30 -6.591 3.556 10.511 217 2HB ASP 30 HB1 ASP 30 -5.834 2.025 10.621 218 H LEU 31 H LEU 31 -2.129 2.953 10.985 219 HA LEU 31 HA LEU 31 -1.571 0.781 9.364 220 1HB LEU 31 HB2 LEU 31 -0.103 2.345 10.869 221 2HB LEU 31 HB1 LEU 31 -0.328 1.094 12.070 222 HG LEU 31 HG LEU 31 1.792 0.718 11.013 223 1HD1 LEU 31 HD11 LEU 31 1.516 -1.491 9.970 224 2HD1 LEU 31 HD12 LEU 31 -0.229 -1.152 9.881 225 3HD1 LEU 31 HD13 LEU 31 0.546 -1.310 11.449 226 1HD2 LEU 31 HD21 LEU 31 0.311 0.805 8.420 227 2HD2 LEU 31 HD22 LEU 31 2.043 0.469 8.600 228 3HD2 LEU 31 HD23 LEU 31 1.374 2.052 9.050 229 H ASN 32 H ASN 32 -3.035 1.014 12.629 230 HA ASN 32 HA ASN 32 -2.808 -1.700 13.268 231 1HB ASN 32 HB2 ASN 32 -3.349 0.109 14.898 232 2HB ASN 32 HB1 ASN 32 -4.892 0.270 14.031 233 1HD2 ASN 32 HD21 ASN 32 -6.514 -1.171 14.342 234 2HD2 ASN 32 HD22 ASN 32 -6.419 -2.388 15.553 235 H MET 33 H MET 33 -5.284 0.292 11.814 236 HA MET 33 HA MET 33 -7.146 -1.866 11.534 237 1HB MET 33 HB2 MET 33 -7.133 0.694 9.925 238 2HB MET 33 HB1 MET 33 -8.468 -0.422 10.107 239 1HG MET 33 HG2 MET 33 -7.208 1.194 12.259 240 2HG MET 33 HG1 MET 33 -8.762 1.538 11.496 241 1HE MET 33 HE1 MET 33 -9.982 -1.451 11.269 242 2HE MET 33 HE2 MET 33 -10.917 -0.054 11.806 243 3HE MET 33 HE3 MET 33 -10.913 -1.532 12.763 244 H PHE 34 H PHE 34 -4.699 -0.436 9.518 245 HA PHE 34 HA PHE 34 -5.233 -1.877 7.181 246 1HB PHE 34 HB2 PHE 34 -3.672 -0.050 7.113 247 2HB PHE 34 HB1 PHE 34 -2.637 -0.805 8.298 248 HD1 PHE 34 HD1 PHE 34 -0.936 -2.256 7.655 249 HD2 PHE 34 HD2 PHE 34 -3.889 -1.154 4.780 250 HE1 PHE 34 HE1 PHE 34 0.399 -3.317 5.851 251 HE2 PHE 34 HE2 PHE 34 -2.567 -2.198 3.012 252 HZ PHE 34 HZ PHE 34 -0.428 -3.281 3.538 253 H THR 35 H THR 35 -2.972 -2.686 9.787 254 HA THR 35 HA THR 35 -2.415 -5.203 8.573 255 HB THR 35 HB THR 35 -0.638 -4.105 9.862 256 HG1 THR 35 HG1 THR 35 0.183 -5.900 10.623 257 1HG2 THR 35 HG21 THR 35 -0.696 -4.079 12.330 258 2HG2 THR 35 HG22 THR 35 -2.390 -4.603 12.269 259 3HG2 THR 35 HG23 THR 35 -1.911 -3.048 11.578 260 H PHE 36 H PHE 36 -4.690 -4.117 10.916 261 HA PHE 36 HA PHE 36 -5.434 -6.626 11.950 262 1HB PHE 36 HB2 PHE 36 -6.177 -4.727 13.179 263 2HB PHE 36 HB1 PHE 36 -6.848 -3.957 11.774 264 HD1 PHE 36 HD1 PHE 36 -9.111 -3.788 11.911 265 HD2 PHE 36 HD2 PHE 36 -7.281 -7.335 13.345 266 HE1 PHE 36 HE1 PHE 36 -11.336 -4.700 12.471 267 HE2 PHE 36 HE2 PHE 36 -9.489 -8.258 13.930 268 HZ PHE 36 HZ PHE 36 -11.522 -6.938 13.487 269 H HIS 37 H HIS 37 -6.747 -4.666 9.277 270 HA HIS 37 HA HIS 37 -8.495 -6.768 8.635 271 1HB HIS 37 HB2 HIS 37 -9.448 -5.456 6.936 272 2HB HIS 37 HB1 HIS 37 -8.804 -4.281 8.069 273 HD1 HIS 37 HD1 HIS 37 -7.229 -2.570 7.136 274 HD2 HIS 37 HD2 HIS 37 -8.013 -5.688 4.523 275 HE1 HIS 37 HE1 HIS 37 -6.269 -1.850 4.900 276 H VAL 38 H VAL 38 -5.274 -6.076 7.830 277 HA VAL 38 HA VAL 38 -4.960 -7.846 5.657 278 HB VAL 38 HB VAL 38 -3.005 -7.145 7.867 279 1HG1 VAL 38 HG11 VAL 38 -1.242 -8.180 6.469 280 2HG1 VAL 38 HG12 VAL 38 -2.490 -8.696 5.325 281 3HG1 VAL 38 HG13 VAL 38 -2.469 -9.355 6.967 282 1HG2 VAL 38 HG21 VAL 38 -2.919 -6.386 4.955 283 2HG2 VAL 38 HG22 VAL 38 -1.860 -5.784 6.233 284 3HG2 VAL 38 HG23 VAL 38 -3.576 -5.351 6.220 285 H ASP 39 H ASP 39 -4.454 -8.388 9.110 286 HA ASP 39 HA ASP 39 -4.012 -11.156 8.890 287 1HB ASP 39 HB2 ASP 39 -3.337 -9.782 10.856 288 2HB ASP 39 HB1 ASP 39 -5.028 -9.621 11.293 289 H SER 40 H SER 40 -6.861 -9.325 8.971 290 HA SER 40 HA SER 40 -8.563 -11.539 9.661 291 1HB SER 40 HB2 SER 40 -9.054 -9.224 10.423 292 2HB SER 40 HB1 SER 40 -9.239 -8.739 8.753 293 HG SER 40 HG SER 40 -11.051 -9.972 8.539 294 H GLU 41 H GLU 41 -7.849 -9.645 6.735 295 HA GLU 41 HA GLU 41 -9.752 -11.425 5.335 296 1HB GLU 41 HB2 GLU 41 -8.816 -8.713 4.429 297 2HB GLU 41 HB1 GLU 41 -10.036 -9.708 3.649 298 1HG GLU 41 HG2 GLU 41 -10.176 -8.435 6.355 299 2HG GLU 41 HG1 GLU 41 -11.116 -7.982 4.929 300 H HIS 42 H HIS 42 -6.412 -10.218 5.105 301 HA HIS 42 HA HIS 42 -5.939 -12.223 3.144 302 1HB HIS 42 HB2 HIS 42 -4.352 -10.393 2.214 303 2HB HIS 42 HB1 HIS 42 -5.970 -10.518 1.535 304 HD1 HIS 42 HD1 HIS 42 -3.874 -8.491 3.933 305 HD2 HIS 42 HD2 HIS 42 -7.357 -8.066 1.733 306 HE1 HIS 42 HE1 HIS 42 -4.509 -6.003 4.043 307 HA PRO 43 HA PRO 43 -3.006 -11.851 6.831 308 1HB PRO 43 HB2 PRO 43 -3.117 -14.482 7.542 309 2HB PRO 43 HB1 PRO 43 -4.256 -13.271 8.141 310 1HG PRO 43 HG2 PRO 43 -4.587 -15.220 5.882 311 2HG PRO 43 HG1 PRO 43 -5.728 -14.810 7.176 312 1HD PRO 43 HD2 PRO 43 -5.983 -13.745 4.730 313 2HD PRO 43 HD1 PRO 43 -6.322 -12.815 6.208 314 H ASN 44 H ASN 44 -3.288 -14.279 4.364 315 HA ASN 44 HA ASN 44 -0.463 -14.065 3.905 316 1HB ASN 44 HB2 ASN 44 -0.222 -16.472 3.487 317 2HB ASN 44 HB1 ASN 44 -0.727 -16.178 5.138 318 1HD2 ASN 44 HD21 ASN 44 -2.722 -16.806 5.759 319 2HD2 ASN 44 HD22 ASN 44 -3.716 -17.913 4.879 320 H VAL 45 H VAL 45 0.033 -14.165 1.726 321 HA VAL 45 HA VAL 45 -1.948 -14.639 -0.210 322 HB VAL 45 HB VAL 45 -2.839 -12.546 0.588 323 1HG1 VAL 45 HG11 VAL 45 -0.996 -11.688 1.804 324 2HG1 VAL 45 HG12 VAL 45 -1.613 -10.471 0.709 325 3HG1 VAL 45 HG13 VAL 45 -0.108 -11.329 0.317 326 1HG2 VAL 45 HG21 VAL 45 -2.921 -12.762 -1.802 327 2HG2 VAL 45 HG22 VAL 45 -1.314 -12.038 -1.966 328 3HG2 VAL 45 HG23 VAL 45 -2.669 -11.074 -1.363 329 H VAL 46 H VAL 46 -0.986 -14.663 -2.282 330 HA VAL 46 HA VAL 46 1.928 -14.444 -2.233 331 HB VAL 46 HB VAL 46 1.174 -16.662 -1.466 332 1HG1 VAL 46 HG11 VAL 46 -0.010 -16.995 -4.191 333 2HG1 VAL 46 HG12 VAL 46 -0.864 -16.921 -2.648 334 3HG1 VAL 46 HG13 VAL 46 0.201 -18.283 -3.003 335 1HG2 VAL 46 HG21 VAL 46 2.633 -16.768 -4.097 336 2HG2 VAL 46 HG22 VAL 46 2.603 -18.059 -2.897 337 3HG2 VAL 46 HG23 VAL 46 3.359 -16.512 -2.513 338 H LEU 47 H LEU 47 -0.063 -12.851 -3.667 339 HA LEU 47 HA LEU 47 -0.105 -13.980 -6.353 340 1HB LEU 47 HB2 LEU 47 -1.837 -11.859 -5.132 341 2HB LEU 47 HB1 LEU 47 -1.779 -12.108 -6.859 342 HG LEU 47 HG LEU 47 -3.715 -13.194 -6.052 343 1HD1 LEU 47 HD11 LEU 47 -3.400 -15.510 -6.671 344 2HD1 LEU 47 HD12 LEU 47 -1.657 -15.313 -6.557 345 3HD1 LEU 47 HD13 LEU 47 -2.567 -14.413 -7.774 346 1HD2 LEU 47 HD21 LEU 47 -3.200 -13.386 -3.704 347 2HD2 LEU 47 HD22 LEU 47 -1.982 -14.619 -4.038 348 3HD2 LEU 47 HD23 LEU 47 -3.690 -14.962 -4.329 349 H ASN 48 H ASN 48 1.639 -13.602 -7.343 350 HA ASN 48 HA ASN 48 3.214 -12.686 -8.610 351 1HB ASN 48 HB2 ASN 48 2.511 -11.137 -10.310 352 2HB ASN 48 HB1 ASN 48 1.171 -12.196 -9.944 353 1HD2 ASN 48 HD21 ASN 48 2.303 -8.980 -10.069 354 2HD2 ASN 48 HD22 ASN 48 0.852 -8.200 -9.619 355 H SER 49 H SER 49 4.098 -10.213 -9.447 356 HA SER 49 HA SER 49 5.305 -9.350 -6.974 357 1HB SER 49 HB2 SER 49 6.086 -8.807 -9.847 358 2HB SER 49 HB1 SER 49 7.033 -8.382 -8.417 359 HG SER 49 HG SER 49 6.963 -10.671 -7.892 360 H SER 50 H SER 50 5.450 -7.079 -6.387 361 HA SER 50 HA SER 50 3.828 -5.078 -7.551 362 1HB SER 50 HB2 SER 50 3.096 -6.501 -4.987 363 2HB SER 50 HB1 SER 50 2.386 -5.001 -5.568 364 HG SER 50 HG SER 50 2.280 -6.791 -7.508 365 H TYR 51 H TYR 51 3.850 -3.260 -5.704 366 HA TYR 51 HA TYR 51 6.577 -3.264 -4.618 367 1HB TYR 51 HB2 TYR 51 4.818 -1.153 -5.731 368 2HB TYR 51 HB1 TYR 51 6.087 -0.728 -4.592 369 HD1 TYR 51 HD1 TYR 51 7.253 0.671 -6.018 370 HD2 TYR 51 HD2 TYR 51 6.436 -3.306 -7.253 371 HE1 TYR 51 HE1 TYR 51 8.779 0.958 -7.925 372 HE2 TYR 51 HE2 TYR 51 7.955 -3.038 -9.168 373 HH TYR 51 HH TYR 51 10.072 -0.361 -9.436 374 H VAL 52 H VAL 52 6.894 -2.696 -2.539 375 HA VAL 52 HA VAL 52 4.576 -1.983 -0.880 376 HB VAL 52 HB VAL 52 5.112 -4.399 -0.578 377 1HG1 VAL 52 HG11 VAL 52 7.437 -4.306 -1.126 378 2HG1 VAL 52 HG12 VAL 52 7.112 -5.133 0.385 379 3HG1 VAL 52 HG13 VAL 52 7.760 -3.486 0.411 380 1HG2 VAL 52 HG21 VAL 52 5.873 -2.775 1.825 381 2HG2 VAL 52 HG22 VAL 52 5.424 -4.482 1.830 382 3HG2 VAL 52 HG23 VAL 52 4.243 -3.263 1.355 383 H CYS 53 H CYS 53 5.003 -0.415 0.592 384 HA CYS 53 HA CYS 53 7.620 0.911 0.542 385 1HB CYS 53 HB2 CYS 53 5.664 2.316 0.647 386 2HB CYS 53 HB1 CYS 53 5.032 1.450 2.031 387 H VAL 54 H VAL 54 9.076 -0.401 1.537 388 HA VAL 54 HA VAL 54 8.622 -2.235 3.553 389 HB VAL 54 HB VAL 54 11.172 -0.955 3.943 390 1HG1 VAL 54 HG11 VAL 54 10.389 -3.520 2.753 391 2HG1 VAL 54 HG12 VAL 54 10.676 -3.233 4.495 392 3HG1 VAL 54 HG13 VAL 54 12.007 -3.101 3.307 393 1HG2 VAL 54 HG21 VAL 54 12.056 -1.552 1.671 394 2HG2 VAL 54 HG22 VAL 54 11.091 -0.096 1.814 395 3HG2 VAL 54 HG23 VAL 54 10.372 -1.527 1.120 396 H GLU 55 H GLU 55 9.138 1.154 3.694 397 HA GLU 55 HA GLU 55 9.823 1.510 6.350 398 1HB GLU 55 HB2 GLU 55 8.126 3.406 4.728 399 2HB GLU 55 HB1 GLU 55 9.217 3.815 6.040 400 1HG GLU 55 HG2 GLU 55 10.073 2.701 3.374 401 2HG GLU 55 HG1 GLU 55 10.070 4.404 3.800 402 H CYS 56 H CYS 56 6.792 1.353 4.704 403 HA CYS 56 HA CYS 56 5.256 1.591 7.252 404 1HB CYS 56 HB2 CYS 56 4.145 1.526 4.465 405 2HB CYS 56 HB1 CYS 56 3.338 2.085 5.924 406 H ASN 57 H ASN 57 6.400 -0.709 5.126 407 HA ASN 57 HA ASN 57 5.910 -2.778 4.434 408 1HB ASN 57 HB2 ASN 57 5.080 -2.683 7.265 409 2HB ASN 57 HB1 ASN 57 4.856 -4.216 6.385 410 1HD2 ASN 57 HD21 ASN 57 7.247 -4.064 4.824 411 2HD2 ASN 57 HD22 ASN 57 8.550 -4.246 5.925 412 H PHE 58 H PHE 58 4.327 -1.347 3.099 413 HA PHE 58 HA PHE 58 1.704 -2.626 3.283 414 1HB PHE 58 HB2 PHE 58 0.477 -0.707 3.421 415 2HB PHE 58 HB1 PHE 58 1.960 0.021 4.006 416 HD1 PHE 58 HD1 PHE 58 -0.349 -0.285 1.211 417 HD2 PHE 58 HD2 PHE 58 3.176 1.598 2.582 418 HE1 PHE 58 HE1 PHE 58 -0.550 1.395 -0.614 419 HE2 PHE 58 HE2 PHE 58 3.008 3.275 0.713 420 HZ PHE 58 HZ PHE 58 1.134 3.161 -0.856 421 H LEU 59 H LEU 59 1.089 -3.506 1.520 422 HA LEU 59 HA LEU 59 2.698 -3.165 -0.874 423 1HB LEU 59 HB2 LEU 59 1.149 -5.336 0.318 424 2HB LEU 59 HB1 LEU 59 0.877 -5.171 -1.400 425 HG LEU 59 HG LEU 59 3.596 -5.504 -0.150 426 1HD1 LEU 59 HD11 LEU 59 3.443 -7.806 -0.884 427 2HD1 LEU 59 HD12 LEU 59 1.879 -7.482 -1.624 428 3HD1 LEU 59 HD13 LEU 59 2.036 -7.456 0.132 429 1HD2 LEU 59 HD21 LEU 59 4.216 -6.055 -2.491 430 2HD2 LEU 59 HD22 LEU 59 3.676 -4.399 -2.307 431 3HD2 LEU 59 HD23 LEU 59 2.598 -5.599 -3.006 432 H THR 60 H THR 60 1.802 -2.270 -2.663 433 HA THR 60 HA THR 60 -1.065 -1.855 -2.647 434 HB THR 60 HB THR 60 -0.285 0.281 -2.127 435 HG1 THR 60 HG1 THR 60 -1.598 0.981 -3.665 436 1HG2 THR 60 HG21 THR 60 1.845 0.053 -4.266 437 2HG2 THR 60 HG22 THR 60 2.101 -0.114 -2.536 438 3HG2 THR 60 HG23 THR 60 1.614 1.429 -3.188 439 H LYS 61 H LYS 61 -1.822 -1.248 -4.874 440 HA LYS 61 HA LYS 61 -1.259 -3.537 -6.578 441 1HB LYS 61 HB2 LYS 61 -3.046 -1.189 -7.166 442 2HB LYS 61 HB1 LYS 61 -3.127 -2.794 -7.854 443 1HG LYS 61 HG2 LYS 61 -3.908 -3.689 -5.755 444 2HG LYS 61 HG1 LYS 61 -3.721 -2.107 -4.988 445 1HD LYS 61 HD2 LYS 61 -5.336 -1.177 -6.625 446 2HD LYS 61 HD1 LYS 61 -5.579 -2.805 -7.258 447 1HE LYS 61 HE2 LYS 61 -7.350 -2.208 -5.692 448 2HE LYS 61 HE1 LYS 61 -6.375 -3.528 -5.048 449 1HZ LYS 61 HZ1 LYS 61 -6.824 -1.882 -3.375 450 2HZ LYS 61 HZ2 LYS 61 -6.077 -0.666 -4.301 451 3HZ LYS 61 HZ3 LYS 61 -5.187 -1.959 -3.688 452 H ARG 62 H ARG 62 -0.154 -0.363 -6.277 453 HA ARG 62 HA ARG 62 0.500 -0.197 -9.126 454 1HB ARG 62 HB2 ARG 62 -0.145 2.133 -9.090 455 2HB ARG 62 HB1 ARG 62 -1.505 1.118 -8.611 456 1HG ARG 62 HG2 ARG 62 -0.738 1.633 -6.196 457 2HG ARG 62 HG1 ARG 62 0.184 2.939 -6.939 458 1HD ARG 62 HD2 ARG 62 -1.811 3.942 -6.311 459 2HD ARG 62 HD1 ARG 62 -2.029 3.615 -8.025 460 HE ARG 62 HE ARG 62 -3.228 2.125 -5.783 461 1HH1 ARG 62 HH11 ARG 62 -3.208 2.692 -9.329 462 2HH1 ARG 62 HH12 ARG 62 -4.791 2.091 -9.524 463 1HH2 ARG 62 HH21 ARG 62 -5.369 1.376 -6.111 464 2HH2 ARG 62 HH22 ARG 62 -6.035 1.329 -7.693 465 H TYR 63 H TYR 63 2.420 1.061 -9.561 466 HA TYR 63 HA TYR 63 4.238 1.050 -7.323 467 1HB TYR 63 HB2 TYR 63 6.027 1.595 -8.873 468 2HB TYR 63 HB1 TYR 63 5.024 0.359 -9.601 469 HD1 TYR 63 HD1 TYR 63 6.255 3.779 -9.849 470 HD2 TYR 63 HD2 TYR 63 3.591 0.933 -11.543 471 HE1 TYR 63 HE1 TYR 63 6.092 5.153 -11.878 472 HE2 TYR 63 HE2 TYR 63 3.417 2.303 -13.578 473 HH TYR 63 HH TYR 63 5.551 4.857 -14.224 474 H ASP 64 H ASP 64 2.196 3.201 -8.854 475 HA ASP 64 HA ASP 64 3.306 5.745 -8.531 476 1HB ASP 64 HB2 ASP 64 0.407 5.010 -8.165 477 2HB ASP 64 HB1 ASP 64 1.046 6.600 -8.534 478 H ALA 65 H ALA 65 1.500 3.822 -6.259 479 HA ALA 65 HA ALA 65 1.002 5.876 -4.463 480 1HB ALA 65 HB1 ALA 65 -0.320 3.924 -4.435 481 2HB ALA 65 HB2 ALA 65 0.519 3.955 -2.869 482 3HB ALA 65 HB3 ALA 65 1.080 2.913 -4.183 483 H LEU 66 H LEU 66 3.725 3.843 -4.991 484 HA LEU 66 HA LEU 66 5.038 4.407 -2.480 485 1HB LEU 66 HB2 LEU 66 6.228 3.168 -4.943 486 2HB LEU 66 HB1 LEU 66 6.957 3.226 -3.360 487 HG LEU 66 HG LEU 66 6.223 1.080 -3.626 488 1HD1 LEU 66 HD11 LEU 66 4.047 2.468 -2.100 489 2HD1 LEU 66 HD12 LEU 66 5.616 1.970 -1.453 490 3HD1 LEU 66 HD13 LEU 66 4.445 0.753 -1.979 491 1HD2 LEU 66 HD21 LEU 66 3.983 0.455 -4.378 492 2HD2 LEU 66 HD22 LEU 66 4.899 1.409 -5.560 493 3HD2 LEU 66 HD23 LEU 66 3.626 2.171 -4.624 494 H SER 67 H SER 67 5.004 5.597 -5.708 495 HA SER 67 HA SER 67 7.519 7.058 -5.581 496 1HB SER 67 HB2 SER 67 6.148 6.090 -7.633 497 2HB SER 67 HB1 SER 67 5.298 7.605 -7.508 498 HG SER 67 HG SER 67 7.700 8.432 -7.431 499 H GLU 68 H GLU 68 4.116 7.694 -5.319 500 HA GLU 68 HA GLU 68 4.513 10.482 -4.734 501 1HB GLU 68 HB2 GLU 68 1.986 9.136 -3.913 502 2HB GLU 68 HB1 GLU 68 2.256 10.731 -4.532 503 1HG GLU 68 HG2 GLU 68 2.963 9.515 -6.709 504 2HG GLU 68 HG1 GLU 68 2.112 8.198 -6.005 505 H HIS 69 H HIS 69 4.592 7.641 -3.070 506 HA HIS 69 HA HIS 69 3.596 8.140 -0.554 507 1HB HIS 69 HB2 HIS 69 4.643 6.020 -1.480 508 2HB HIS 69 HB1 HIS 69 6.174 6.711 -0.883 509 HD1 HIS 69 HD1 HIS 69 2.839 5.451 0.314 510 HD2 HIS 69 HD2 HIS 69 6.600 6.412 1.678 511 HE1 HIS 69 HE1 HIS 69 2.896 4.663 2.711 512 H ASN 70 H ASN 70 7.046 8.690 -1.429 513 HA ASN 70 HA ASN 70 7.566 10.187 0.954 514 1HB ASN 70 HB2 ASN 70 9.728 10.711 -0.150 515 2HB ASN 70 HB1 ASN 70 9.380 8.995 -0.020 516 1HD2 ASN 70 HD21 ASN 70 11.190 10.078 -1.629 517 2HD2 ASN 70 HD22 ASN 70 10.749 9.777 -3.306 518 H LEU 71 H LEU 71 6.047 10.976 -1.806 519 HA LEU 71 HA LEU 71 6.653 13.790 -1.759 520 1HB LEU 71 HB2 LEU 71 6.123 13.145 -3.901 521 2HB LEU 71 HB1 LEU 71 4.978 11.943 -3.372 522 HG LEU 71 HG LEU 71 3.322 13.637 -2.997 523 1HD1 LEU 71 HD11 LEU 71 4.781 15.586 -2.513 524 2HD1 LEU 71 HD12 LEU 71 3.697 15.969 -3.854 525 3HD1 LEU 71 HD13 LEU 71 5.383 15.559 -4.170 526 1HD2 LEU 71 HD21 LEU 71 2.914 14.223 -5.350 527 2HD2 LEU 71 HD22 LEU 71 3.393 12.539 -5.124 528 3HD2 LEU 71 HD23 LEU 71 4.558 13.715 -5.737 529 H LYS 72 H LYS 72 3.894 11.742 -0.903 530 HA LYS 72 HA LYS 72 2.762 14.006 0.551 531 1HB LYS 72 HB2 LYS 72 0.663 12.297 0.341 532 2HB LYS 72 HB1 LYS 72 0.942 13.662 -0.761 533 1HG LYS 72 HG2 LYS 72 2.256 11.954 -2.116 534 2HG LYS 72 HG1 LYS 72 1.548 10.715 -1.127 535 1HD LYS 72 HD2 LYS 72 0.116 12.686 -2.893 536 2HD LYS 72 HD1 LYS 72 0.268 10.951 -3.163 537 1HE LYS 72 HE2 LYS 72 -1.072 10.627 -1.048 538 2HE LYS 72 HE1 LYS 72 -1.300 12.367 -1.017 539 1HZ LYS 72 HZ1 LYS 72 -2.255 10.530 -3.158 540 2HZ LYS 72 HZ2 LYS 72 -2.401 12.205 -3.198 541 3HZ LYS 72 HZ3 LYS 72 -3.177 11.322 -1.998 542 H TYR 73 H TYR 73 3.394 10.647 0.884 543 HA TYR 73 HA TYR 73 2.248 10.468 3.532 544 1HB TYR 73 HB2 TYR 73 3.791 8.554 1.834 545 2HB TYR 73 HB1 TYR 73 3.204 8.116 3.444 546 HD1 TYR 73 HD1 TYR 73 1.868 9.679 0.331 547 HD2 TYR 73 HD2 TYR 73 1.297 6.823 3.403 548 HE1 TYR 73 HE1 TYR 73 -0.202 8.982 -0.729 549 HE2 TYR 73 HE2 TYR 73 -0.822 6.120 2.325 550 HH TYR 73 HH TYR 73 -2.377 6.893 0.953 551 H HIS 74 H HIS 74 5.546 10.059 2.156 552 HA HIS 74 HA HIS 74 6.641 10.823 4.813 553 1HB HIS 74 HB2 HIS 74 7.885 9.074 2.671 554 2HB HIS 74 HB1 HIS 74 8.741 9.579 4.119 555 HD1 HIS 74 HD1 HIS 74 6.351 8.760 6.159 556 HD2 HIS 74 HD2 HIS 74 7.930 6.462 3.084 557 HE1 HIS 74 HE1 HIS 74 5.732 6.381 6.688 558 HA PRO 75 HA PRO 75 7.745 13.960 1.591 559 1HB PRO 75 HB2 PRO 75 6.913 16.165 2.851 560 2HB PRO 75 HB1 PRO 75 5.789 15.112 1.973 561 1HG PRO 75 HG2 PRO 75 6.396 15.165 4.912 562 2HG PRO 75 HG1 PRO 75 4.804 15.115 4.118 563 1HD PRO 75 HD2 PRO 75 6.028 12.899 5.105 564 2HD PRO 75 HD1 PRO 75 4.991 12.887 3.667 565 H GLY 76 H GLY 76 9.517 15.104 1.410 566 1HA GLY 76 HA2 GLY 76 10.839 16.694 3.089 567 2HA GLY 76 HA1 GLY 76 11.400 15.106 3.590 568 H GLU 77 H GLU 77 11.384 13.887 1.029 569 HA GLU 77 HA GLU 77 13.009 15.355 -0.795 570 1HB GLU 77 HB2 GLU 77 15.009 13.903 -0.543 571 2HB GLU 77 HB1 GLU 77 14.736 14.909 0.869 572 1HG GLU 77 HG2 GLU 77 15.110 12.995 2.004 573 2HG GLU 77 HG1 GLU 77 13.435 12.653 1.554 574 H GLU 78 H GLU 78 13.843 13.633 -2.479 575 HA GLU 78 HA GLU 78 11.780 11.559 -2.579 576 1HB GLU 78 HB2 GLU 78 11.184 13.476 -4.088 577 2HB GLU 78 HB1 GLU 78 12.702 13.126 -4.933 578 1HG GLU 78 HG2 GLU 78 11.884 10.851 -5.383 579 2HG GLU 78 HG1 GLU 78 10.337 11.277 -4.661 580 H ASN 79 H ASN 79 13.321 10.068 -1.926 581 HA ASN 79 HA ASN 79 15.011 9.076 -4.077 582 1HB ASN 79 HB2 ASN 79 15.947 9.744 -1.308 583 2HB ASN 79 HB1 ASN 79 16.929 8.820 -2.464 584 1HD2 ASN 79 HD21 ASN 79 15.682 11.808 -1.530 585 2HD2 ASN 79 HD22 ASN 79 16.463 12.884 -2.629 586 H PHE 80 H PHE 80 13.642 7.367 -4.139 587 HA PHE 80 HA PHE 80 13.514 5.666 -1.774 588 1HB PHE 80 HB2 PHE 80 11.706 6.215 -3.997 589 2HB PHE 80 HB1 PHE 80 11.960 4.500 -3.731 590 HD1 PHE 80 HD1 PHE 80 11.615 3.661 -1.320 591 HD2 PHE 80 HD2 PHE 80 10.120 7.360 -2.734 592 HE1 PHE 80 HE1 PHE 80 9.871 3.593 0.387 593 HE2 PHE 80 HE2 PHE 80 8.378 7.318 -0.965 594 HZ PHE 80 HZ PHE 80 8.240 5.423 0.563 595 H LYS 81 H LYS 81 14.187 3.571 -1.920 596 HA LYS 81 HA LYS 81 15.955 2.962 -4.188 597 1HB LYS 81 HB2 LYS 81 17.468 2.062 -2.669 598 2HB LYS 81 HB1 LYS 81 16.628 3.179 -1.596 599 1HG LYS 81 HG2 LYS 81 15.252 1.450 -0.733 600 2HG LYS 81 HG1 LYS 81 15.883 0.298 -1.901 601 1HD LYS 81 HD2 LYS 81 18.170 0.815 -0.846 602 2HD LYS 81 HD1 LYS 81 17.213 1.499 0.475 603 1HE LYS 81 HE2 LYS 81 15.983 -0.607 0.668 604 2HE LYS 81 HE1 LYS 81 16.960 -1.267 -0.639 605 1HZ LYS 81 HZ1 LYS 81 17.802 -1.974 1.557 606 2HZ LYS 81 HZ2 LYS 81 17.986 -0.364 2.001 607 3HZ LYS 81 HZ3 LYS 81 18.932 -0.991 0.766 608 H LEU 82 H LEU 82 16.033 0.468 -4.533 609 HA LEU 82 HA LEU 82 13.397 -0.627 -3.999 610 1HB LEU 82 HB2 LEU 82 13.377 -1.711 -6.220 611 2HB LEU 82 HB1 LEU 82 13.314 0.031 -6.323 612 HG LEU 82 HG LEU 82 15.908 -1.450 -6.711 613 1HD1 LEU 82 HD11 LEU 82 15.442 -1.415 -9.133 614 2HD1 LEU 82 HD12 LEU 82 13.831 -0.776 -8.810 615 3HD1 LEU 82 HD13 LEU 82 14.258 -2.402 -8.277 616 1HD2 LEU 82 HD21 LEU 82 16.488 0.521 -8.038 617 2HD2 LEU 82 HD22 LEU 82 16.000 0.998 -6.411 618 3HD2 LEU 82 HD23 LEU 82 14.884 1.196 -7.761 619 H THR 83 H THR 83 13.441 -2.582 -3.103 620 HA THR 83 HA THR 83 15.761 -4.213 -3.558 621 HB THR 83 HB THR 83 16.273 -3.038 -1.487 622 HG1 THR 83 HG1 THR 83 16.887 -5.142 -1.486 623 1HG2 THR 83 HG21 THR 83 13.668 -4.063 -0.372 624 2HG2 THR 83 HG22 THR 83 13.973 -2.393 -0.847 625 3HG2 THR 83 HG23 THR 83 14.857 -3.096 0.509 626 H MET 84 H MET 84 14.915 -6.219 -4.223 627 HA MET 84 HA MET 84 12.062 -6.539 -3.556 628 1HB MET 84 HB2 MET 84 12.850 -6.708 -5.939 629 2HB MET 84 HB1 MET 84 13.805 -8.095 -5.437 630 1HG MET 84 HG2 MET 84 11.768 -9.313 -4.883 631 2HG MET 84 HG1 MET 84 10.799 -7.918 -5.376 632 1HE MET 84 HE1 MET 84 10.218 -10.744 -6.640 633 2HE MET 84 HE2 MET 84 10.121 -10.365 -8.358 634 3HE MET 84 HE3 MET 84 9.388 -9.281 -7.174 635 H VAL 85 H VAL 85 11.979 -7.369 -1.607 636 HA VAL 85 HA VAL 85 12.858 -10.054 -1.324 637 HB VAL 85 HB VAL 85 13.549 -9.405 1.171 638 1HG1 VAL 85 HG11 VAL 85 15.059 -10.500 -0.402 639 2HG1 VAL 85 HG12 VAL 85 15.919 -9.216 0.457 640 3HG1 VAL 85 HG13 VAL 85 15.353 -8.956 -1.197 641 1HG2 VAL 85 HG21 VAL 85 14.746 -7.250 1.296 642 2HG2 VAL 85 HG22 VAL 85 13.029 -7.007 0.943 643 3HG2 VAL 85 HG23 VAL 85 14.223 -6.878 -0.349 644 H LYS 86 H LYS 86 10.820 -10.932 -0.940 645 HA LYS 86 HA LYS 86 9.562 -9.738 1.367 646 1HB LYS 86 HB2 LYS 86 8.447 -8.910 -0.784 647 2HB LYS 86 HB1 LYS 86 7.816 -10.554 -0.910 648 1HG LYS 86 HG2 LYS 86 6.156 -9.277 0.007 649 2HG LYS 86 HG1 LYS 86 6.781 -10.257 1.336 650 1HD LYS 86 HD2 LYS 86 8.032 -8.390 2.217 651 2HD LYS 86 HD1 LYS 86 7.745 -7.421 0.796 652 1HE LYS 86 HE2 LYS 86 6.192 -6.491 2.322 653 2HE LYS 86 HE1 LYS 86 5.276 -7.649 1.403 654 1HZ LYS 86 HZ1 LYS 86 4.850 -7.830 3.793 655 2HZ LYS 86 HZ2 LYS 86 6.432 -8.231 4.076 656 3HZ LYS 86 HZ3 LYS 86 5.449 -9.283 3.201 657 H ARG 87 H ARG 87 9.013 -11.178 2.745 658 HA ARG 87 HA ARG 87 9.346 -13.916 1.840 659 1HB ARG 87 HB2 ARG 87 10.227 -12.660 4.456 660 2HB ARG 87 HB1 ARG 87 10.437 -14.349 4.011 661 1HG ARG 87 HG2 ARG 87 12.571 -13.413 3.577 662 2HG ARG 87 HG1 ARG 87 11.770 -13.445 2.004 663 1HD ARG 87 HD2 ARG 87 12.928 -11.335 2.233 664 2HD ARG 87 HD1 ARG 87 11.194 -11.072 2.238 665 HE ARG 87 HE ARG 87 12.334 -11.286 4.866 666 1HH1 ARG 87 HH11 ARG 87 11.465 -8.903 2.291 667 2HH1 ARG 87 HH12 ARG 87 11.594 -7.569 3.243 668 1HH2 ARG 87 HH21 ARG 87 12.512 -9.375 6.231 669 2HH2 ARG 87 HH22 ARG 87 12.224 -7.833 5.565 670 H ASN 88 H ASN 88 8.002 -15.451 2.748 671 HA ASN 88 HA ASN 88 6.219 -16.385 3.769 672 1HB ASN 88 HB2 ASN 88 6.286 -13.902 5.491 673 2HB ASN 88 HB1 ASN 88 5.119 -15.197 5.729 674 1HD2 ASN 88 HD21 ASN 88 7.364 -14.156 7.386 675 2HD2 ASN 88 HD22 ASN 88 8.315 -15.537 7.760 676 H ASN 89 H ASN 89 6.079 -14.202 1.635 677 HA ASN 89 HA ASN 89 3.150 -14.095 1.561 678 1HB ASN 89 HB2 ASN 89 5.000 -11.738 1.031 679 2HB ASN 89 HB1 ASN 89 3.299 -11.762 0.604 680 1HD2 ASN 89 HD21 ASN 89 5.643 -11.472 3.159 681 2HD2 ASN 89 HD22 ASN 89 4.533 -10.990 4.382 682 H GLN 90 H GLN 90 5.224 -12.372 -0.611 683 HA GLN 90 HA GLN 90 5.603 -14.441 -2.489 684 1HB GLN 90 HB2 GLN 90 4.603 -13.217 -4.335 685 2HB GLN 90 HB1 GLN 90 3.338 -13.648 -3.169 686 1HG GLN 90 HG2 GLN 90 4.597 -10.990 -3.249 687 2HG GLN 90 HG1 GLN 90 3.304 -11.394 -4.378 688 1HE2 GLN 90 HE21 GLN 90 4.121 -10.437 -1.227 689 2HE2 GLN 90 HE22 GLN 90 2.503 -10.423 -0.585 690 H THR 91 H THR 91 6.950 -13.285 -4.336 691 HA THR 91 HA THR 91 8.525 -11.441 -2.830 692 HB THR 91 HB THR 91 10.191 -11.832 -4.768 693 HG1 THR 91 HG1 THR 91 9.851 -13.652 -5.947 694 1HG2 THR 91 HG21 THR 91 9.505 -14.082 -2.840 695 2HG2 THR 91 HG22 THR 91 10.487 -12.697 -2.434 696 3HG2 THR 91 HG23 THR 91 11.060 -13.856 -3.628 697 H ILE 92 H ILE 92 8.258 -9.565 -3.005 698 HA ILE 92 HA ILE 92 7.421 -8.257 -5.395 699 HB ILE 92 HB ILE 92 5.920 -6.822 -3.926 700 1HG1 ILE 92 HG12 ILE 92 4.935 -8.352 -2.021 701 2HG1 ILE 92 HG11 ILE 92 6.555 -8.978 -2.086 702 1HG2 ILE 92 HG21 ILE 92 4.046 -8.503 -3.870 703 2HG2 ILE 92 HG22 ILE 92 5.216 -9.659 -4.558 704 3HG2 ILE 92 HG23 ILE 92 4.797 -8.181 -5.411 705 1HD1 ILE 92 HD11 ILE 92 6.287 -7.106 -0.476 706 2HD1 ILE 92 HD12 ILE 92 6.116 -6.032 -1.866 707 3HD1 ILE 92 HD13 ILE 92 7.594 -6.955 -1.634 708 H PHE 93 H PHE 93 7.798 -5.874 -5.193 709 HA PHE 93 HA PHE 93 10.593 -5.682 -4.411 710 1HB PHE 93 HB2 PHE 93 8.716 -3.928 -5.965 711 2HB PHE 93 HB1 PHE 93 10.392 -3.528 -5.704 712 HD1 PHE 93 HD1 PHE 93 8.040 -5.774 -7.411 713 HD2 PHE 93 HD2 PHE 93 12.073 -4.556 -6.967 714 HE1 PHE 93 HE1 PHE 93 8.599 -6.934 -9.513 715 HE2 PHE 93 HE2 PHE 93 12.662 -5.714 -9.077 716 HZ PHE 93 HZ PHE 93 10.916 -6.906 -10.346 717 H GLU 94 H GLU 94 11.093 -4.679 -2.529 718 HA GLU 94 HA GLU 94 9.065 -3.096 -1.250 719 1HB GLU 94 HB2 GLU 94 11.731 -4.031 -0.122 720 2HB GLU 94 HB1 GLU 94 10.387 -3.336 0.759 721 1HG GLU 94 HG2 GLU 94 9.117 -5.387 -0.177 722 2HG GLU 94 HG1 GLU 94 10.741 -6.074 -0.276 723 H GLN 95 H GLN 95 9.378 -1.000 -0.964 724 HA GLN 95 HA GLN 95 11.777 0.121 -2.236 725 1HB GLN 95 HB2 GLN 95 9.422 0.327 -3.358 726 2HB GLN 95 HB1 GLN 95 9.114 1.527 -2.110 727 1HG GLN 95 HG2 GLN 95 10.944 2.863 -2.873 728 2HG GLN 95 HG1 GLN 95 11.433 1.613 -4.009 729 1HE2 GLN 95 HE21 GLN 95 9.207 4.142 -3.294 730 2HE2 GLN 95 HE22 GLN 95 8.524 4.262 -4.874 731 H THR 96 H THR 96 13.065 0.980 -0.733 732 HA THR 96 HA THR 96 11.914 2.061 1.763 733 HB THR 96 HB THR 96 14.764 1.604 1.846 734 HG1 THR 96 HG1 THR 96 13.708 -0.886 1.744 735 1HG2 THR 96 HG21 THR 96 14.088 0.136 3.772 736 2HG2 THR 96 HG22 THR 96 12.402 0.368 3.294 737 3HG2 THR 96 HG23 THR 96 13.335 1.729 3.843 738 H ILE 97 H ILE 97 13.035 3.940 2.666 739 HA ILE 97 HA ILE 97 14.173 5.681 0.565 740 HB ILE 97 HB ILE 97 13.134 6.588 3.269 741 1HG1 ILE 97 HG12 ILE 97 11.511 6.582 0.768 742 2HG1 ILE 97 HG11 ILE 97 11.510 5.155 1.789 743 1HG2 ILE 97 HG21 ILE 97 14.514 8.077 1.743 744 2HG2 ILE 97 HG22 ILE 97 12.928 8.675 2.148 745 3HG2 ILE 97 HG23 ILE 97 13.211 7.947 0.555 746 1HD1 ILE 97 HD11 ILE 97 9.653 6.314 2.344 747 2HD1 ILE 97 HD12 ILE 97 10.419 7.882 2.298 748 3HD1 ILE 97 HD13 ILE 97 10.762 6.743 3.641 749 H ASN 98 H ASN 98 15.936 6.966 1.154 750 HA ASN 98 HA ASN 98 17.735 5.666 3.052 751 1HB ASN 98 HB2 ASN 98 19.447 7.121 1.831 752 2HB ASN 98 HB1 ASN 98 18.723 5.815 0.889 753 1HD2 ASN 98 HD21 ASN 98 17.253 8.985 1.660 754 2HD2 ASN 98 HD22 ASN 98 17.138 9.511 0.058 755 H ASP 99 H ASP 99 15.513 7.802 3.485 756 HA ASP 99 HA ASP 99 17.091 9.537 5.225 757 1HB ASP 99 HB2 ASP 99 17.050 10.488 2.932 758 2HB ASP 99 HB1 ASP 99 15.333 10.650 3.094 759 H LEU 100 H LEU 100 13.961 9.345 3.668 760 HA LEU 100 HA LEU 100 12.449 10.296 5.935 761 1HB LEU 100 HB2 LEU 100 11.391 9.019 3.414 762 2HB LEU 100 HB1 LEU 100 10.638 10.154 4.502 763 HG LEU 100 HG LEU 100 13.080 11.118 3.150 764 1HD1 LEU 100 HD11 LEU 100 12.098 10.070 1.251 765 2HD1 LEU 100 HD12 LEU 100 11.627 11.751 1.170 766 3HD1 LEU 100 HD13 LEU 100 10.482 10.533 1.762 767 1HD2 LEU 100 HD21 LEU 100 10.366 12.281 3.604 768 2HD2 LEU 100 HD22 LEU 100 11.793 13.122 3.031 769 3HD2 LEU 100 HD23 LEU 100 11.748 12.494 4.699 770 H THR 101 H THR 101 13.976 7.679 5.847 771 HA THR 101 HA THR 101 12.504 5.382 5.821 772 HB THR 101 HB THR 101 14.790 6.051 7.663 773 HG1 THR 101 HG1 THR 101 14.964 5.263 4.952 774 1HG2 THR 101 HG21 THR 101 13.873 3.765 7.843 775 2HG2 THR 101 HG22 THR 101 15.489 3.748 7.136 776 3HG2 THR 101 HG23 THR 101 14.074 3.550 6.105 777 H PHE 102 H PHE 102 12.858 7.824 8.356 778 HA PHE 102 HA PHE 102 10.801 6.486 9.926 779 1HB PHE 102 HB2 PHE 102 13.412 7.542 10.998 780 2HB PHE 102 HB1 PHE 102 12.057 7.057 12.017 781 HD1 PHE 102 HD1 PHE 102 15.004 6.006 10.268 782 HD2 PHE 102 HD2 PHE 102 11.335 4.617 11.914 783 HE1 PHE 102 HE1 PHE 102 15.879 3.707 10.268 784 HE2 PHE 102 HE2 PHE 102 12.205 2.315 11.922 785 HZ PHE 102 HZ PHE 102 14.480 1.858 11.097 Start of MODEL 19 1 HA MET 1 HA MET 1 -33.277 -2.650 -6.716 2 1HB MET 1 HB2 MET 1 -33.036 -3.644 -3.873 3 2HB MET 1 HB1 MET 1 -31.671 -3.011 -4.765 4 1HG MET 1 HG2 MET 1 -34.201 -1.505 -4.183 5 2HG MET 1 HG1 MET 1 -32.702 -1.382 -3.264 6 1HE MET 1 HE1 MET 1 -30.251 0.218 -5.869 7 2HE MET 1 HE2 MET 1 -30.468 -1.504 -5.585 8 3HE MET 1 HE3 MET 1 -30.441 -0.383 -4.221 9 H ALA 2 H ALA 2 -33.112 -5.717 -4.886 10 HA ALA 2 HA ALA 2 -32.005 -7.607 -5.159 11 1HB ALA 2 HB1 ALA 2 -31.546 -8.514 -7.397 12 2HB ALA 2 HB2 ALA 2 -31.836 -6.929 -8.115 13 3HB ALA 2 HB3 ALA 2 -33.161 -7.804 -7.349 14 H HIS 3 H HIS 3 -30.027 -7.983 -4.454 15 HA HIS 3 HA HIS 3 -28.151 -5.853 -4.800 16 1HB HIS 3 HB2 HIS 3 -28.529 -6.908 -2.580 17 2HB HIS 3 HB1 HIS 3 -27.783 -8.381 -3.187 18 HD1 HIS 3 HD1 HIS 3 -25.424 -8.546 -2.405 19 HD2 HIS 3 HD2 HIS 3 -26.587 -4.616 -2.999 20 HE1 HIS 3 HE1 HIS 3 -23.450 -7.123 -1.717 21 H HIS 4 H HIS 4 -27.866 -6.092 -6.962 22 HA HIS 4 HA HIS 4 -25.673 -7.911 -7.633 23 1HB HIS 4 HB2 HIS 4 -27.819 -8.524 -8.833 24 2HB HIS 4 HB1 HIS 4 -27.864 -6.894 -9.482 25 HD1 HIS 4 HD1 HIS 4 -27.225 -7.016 -11.894 26 HD2 HIS 4 HD2 HIS 4 -24.985 -9.601 -9.551 27 HE1 HIS 4 HE1 HIS 4 -25.567 -8.120 -13.448 28 H HIS 5 H HIS 5 -24.020 -6.826 -8.815 29 HA HIS 5 HA HIS 5 -22.630 -5.137 -9.215 30 1HB HIS 5 HB2 HIS 5 -25.128 -3.420 -9.507 31 2HB HIS 5 HB1 HIS 5 -23.500 -2.855 -9.852 32 HD1 HIS 5 HD1 HIS 5 -26.371 -4.165 -11.527 33 HD2 HIS 5 HD2 HIS 5 -22.265 -4.558 -11.951 34 HE1 HIS 5 HE1 HIS 5 -25.990 -5.003 -13.872 35 H HIS 6 H HIS 6 -21.636 -5.199 -7.378 36 HA HIS 6 HA HIS 6 -22.690 -4.296 -4.912 37 1HB HIS 6 HB2 HIS 6 -19.816 -4.843 -5.688 38 2HB HIS 6 HB1 HIS 6 -20.414 -4.669 -4.045 39 HD1 HIS 6 HD1 HIS 6 -20.201 -7.126 -6.875 40 HD2 HIS 6 HD2 HIS 6 -21.862 -6.874 -3.070 41 HE1 HIS 6 HE1 HIS 6 -20.882 -9.461 -6.259 42 H HIS 7 H HIS 7 -20.828 -2.853 -7.439 43 HA HIS 7 HA HIS 7 -20.224 -0.782 -7.952 44 1HB HIS 7 HB2 HIS 7 -21.941 0.003 -5.587 45 2HB HIS 7 HB1 HIS 7 -21.055 1.198 -6.526 46 HD1 HIS 7 HD1 HIS 7 -24.004 -1.221 -6.825 47 HD2 HIS 7 HD2 HIS 7 -22.178 1.862 -8.941 48 HE1 HIS 7 HE1 HIS 7 -25.580 -0.607 -8.671 49 H HIS 8 H HIS 8 -18.250 -0.217 -7.877 50 HA HIS 8 HA HIS 8 -16.478 -1.011 -5.873 51 1HB HIS 8 HB2 HIS 8 -14.753 0.214 -7.113 52 2HB HIS 8 HB1 HIS 8 -15.783 -0.688 -8.210 53 HD1 HIS 8 HD1 HIS 8 -17.118 0.718 -9.982 54 HD2 HIS 8 HD2 HIS 8 -14.973 3.026 -7.260 55 HE1 HIS 8 HE1 HIS 8 -17.124 3.057 -10.887 56 H ASN 9 H ASN 9 -15.031 0.312 -4.613 57 HA ASN 9 HA ASN 9 -16.441 2.414 -3.309 58 1HB ASN 9 HB2 ASN 9 -14.474 2.580 -1.782 59 2HB ASN 9 HB1 ASN 9 -15.093 0.942 -1.886 60 1HD2 ASN 9 HD21 ASN 9 -12.450 2.996 -2.265 61 2HD2 ASN 9 HD22 ASN 9 -11.282 1.828 -2.747 62 H GLN 10 H GLN 10 -16.421 4.397 -3.738 63 HA GLN 10 HA GLN 10 -15.505 5.164 -6.309 64 1HB GLN 10 HB2 GLN 10 -16.875 6.850 -4.241 65 2HB GLN 10 HB1 GLN 10 -16.817 7.129 -5.977 66 1HG GLN 10 HG2 GLN 10 -18.103 5.118 -6.378 67 2HG GLN 10 HG1 GLN 10 -18.069 4.742 -4.666 68 1HE2 GLN 10 HE21 GLN 10 -20.225 4.732 -4.426 69 2HE2 GLN 10 HE22 GLN 10 -21.219 6.136 -4.535 70 H GLN 11 H GLN 11 -14.732 6.413 -3.076 71 HA GLN 11 HA GLN 11 -13.074 8.439 -4.297 72 1HB GLN 11 HB2 GLN 11 -14.590 8.978 -2.414 73 2HB GLN 11 HB1 GLN 11 -13.623 7.945 -1.374 74 1HG GLN 11 HG2 GLN 11 -11.690 9.377 -1.750 75 2HG GLN 11 HG1 GLN 11 -12.657 10.414 -2.793 76 1HE2 GLN 11 HE21 GLN 11 -11.269 11.002 -0.350 77 2HE2 GLN 11 HE22 GLN 11 -12.419 11.666 0.737 78 H ASN 12 H ASN 12 -12.623 5.870 -1.897 79 HA ASN 12 HA ASN 12 -9.748 6.203 -1.936 80 1HB ASN 12 HB2 ASN 12 -11.521 4.194 -0.543 81 2HB ASN 12 HB1 ASN 12 -9.770 4.117 -0.465 82 1HD2 ASN 12 HD21 ASN 12 -8.659 5.714 0.692 83 2HD2 ASN 12 HD22 ASN 12 -9.433 6.723 1.843 84 H LYS 13 H LYS 13 -11.010 5.428 -4.462 85 HA LYS 13 HA LYS 13 -10.299 2.677 -4.947 86 1HB LYS 13 HB2 LYS 13 -10.870 3.115 -7.276 87 2HB LYS 13 HB1 LYS 13 -12.127 3.720 -6.208 88 1HG LYS 13 HG2 LYS 13 -11.305 5.980 -6.468 89 2HG LYS 13 HG1 LYS 13 -9.977 5.398 -7.472 90 1HD LYS 13 HD2 LYS 13 -11.584 4.582 -9.120 91 2HD LYS 13 HD1 LYS 13 -12.913 5.159 -8.112 92 1HE LYS 13 HE2 LYS 13 -12.094 7.439 -8.319 93 2HE LYS 13 HE1 LYS 13 -10.735 6.872 -9.285 94 1HZ LYS 13 HZ1 LYS 13 -13.596 6.689 -10.020 95 2HZ LYS 13 HZ2 LYS 13 -12.323 6.080 -10.938 96 3HZ LYS 13 HZ3 LYS 13 -12.460 7.740 -10.686 97 H LYS 14 H LYS 14 -8.599 5.516 -4.694 98 HA LYS 14 HA LYS 14 -6.239 4.359 -5.907 99 1HB LYS 14 HB2 LYS 14 -7.382 6.038 -7.517 100 2HB LYS 14 HB1 LYS 14 -7.051 7.269 -6.317 101 1HG LYS 14 HG2 LYS 14 -4.866 5.635 -7.627 102 2HG LYS 14 HG1 LYS 14 -5.471 7.131 -8.323 103 1HD LYS 14 HD2 LYS 14 -4.766 8.340 -6.305 104 2HD LYS 14 HD1 LYS 14 -4.200 6.832 -5.600 105 1HE LYS 14 HE2 LYS 14 -2.364 8.172 -6.534 106 2HE LYS 14 HE1 LYS 14 -2.506 6.613 -7.323 107 1HZ LYS 14 HZ1 LYS 14 -2.134 8.507 -8.846 108 2HZ LYS 14 HZ2 LYS 14 -3.651 9.130 -8.458 109 3HZ LYS 14 HZ3 LYS 14 -3.503 7.640 -9.221 110 H VAL 15 H VAL 15 -4.417 4.954 -4.704 111 HA VAL 15 HA VAL 15 -4.741 5.311 -2.000 112 HB VAL 15 HB VAL 15 -2.640 4.662 -3.598 113 1HG1 VAL 15 HG11 VAL 15 -1.983 6.860 -4.243 114 2HG1 VAL 15 HG12 VAL 15 -0.762 6.194 -3.120 115 3HG1 VAL 15 HG13 VAL 15 -1.948 7.359 -2.545 116 1HG2 VAL 15 HG21 VAL 15 -1.264 4.460 -1.612 117 2HG2 VAL 15 HG22 VAL 15 -2.927 3.959 -1.278 118 3HG2 VAL 15 HG23 VAL 15 -2.345 5.540 -0.747 119 H GLU 16 H GLU 16 -5.128 7.043 -0.731 120 HA GLU 16 HA GLU 16 -4.459 9.673 -1.809 121 1HB GLU 16 HB2 GLU 16 -6.408 10.563 -0.441 122 2HB GLU 16 HB1 GLU 16 -6.817 9.646 -1.879 123 1HG GLU 16 HG2 GLU 16 -7.291 7.710 -0.548 124 2HG GLU 16 HG1 GLU 16 -6.773 8.545 0.904 125 H GLY 17 H GLY 17 -5.168 8.020 1.260 126 1HA GLY 17 HA2 GLY 17 -2.721 8.979 2.305 127 2HA GLY 17 HA1 GLY 17 -4.114 9.784 3.027 128 H GLY 18 H GLY 18 -2.299 7.023 2.790 129 1HA GLY 18 HA2 GLY 18 -2.506 5.945 5.131 130 2HA GLY 18 HA1 GLY 18 -4.082 5.481 4.498 131 H TYR 19 H TYR 19 -3.516 3.269 4.646 132 HA TYR 19 HA TYR 19 -1.427 2.428 2.775 133 1HB TYR 19 HB2 TYR 19 -2.614 0.898 5.073 134 2HB TYR 19 HB1 TYR 19 -1.167 0.486 4.151 135 HD1 TYR 19 HD1 TYR 19 -2.193 1.663 7.211 136 HD2 TYR 19 HD2 TYR 19 0.565 2.630 4.122 137 HE1 TYR 19 HE1 TYR 19 -0.920 2.972 8.791 138 HE2 TYR 19 HE2 TYR 19 1.880 3.956 5.707 139 HH TYR 19 HH TYR 19 1.340 3.879 9.082 140 H GLU 20 H GLU 20 -2.219 1.851 0.962 141 HA GLU 20 HA GLU 20 -4.864 0.638 0.790 142 1HB GLU 20 HB2 GLU 20 -4.482 2.452 -0.771 143 2HB GLU 20 HB1 GLU 20 -2.965 1.725 -1.302 144 1HG GLU 20 HG2 GLU 20 -4.332 -0.277 -1.999 145 2HG GLU 20 HG1 GLU 20 -5.750 0.724 -1.744 146 H CYS 21 H CYS 21 -4.843 -1.479 0.823 147 HA CYS 21 HA CYS 21 -2.531 -3.095 0.547 148 1HB CYS 21 HB2 CYS 21 -5.375 -3.983 0.199 149 2HB CYS 21 HB1 CYS 21 -3.988 -5.009 0.511 150 H LYS 22 H LYS 22 -1.896 -4.427 -1.005 151 HA LYS 22 HA LYS 22 -2.264 -3.971 -3.736 152 1HB LYS 22 HB2 LYS 22 -0.252 -4.976 -3.008 153 2HB LYS 22 HB1 LYS 22 -1.102 -6.208 -2.091 154 1HG LYS 22 HG2 LYS 22 -0.061 -7.180 -4.049 155 2HG LYS 22 HG1 LYS 22 -1.817 -7.269 -4.179 156 1HD LYS 22 HD2 LYS 22 -1.782 -5.273 -5.552 157 2HD LYS 22 HD1 LYS 22 -0.001 -5.285 -5.467 158 1HE LYS 22 HE2 LYS 22 -0.022 -7.532 -6.512 159 2HE LYS 22 HE1 LYS 22 -1.779 -7.456 -6.614 160 1HZ LYS 22 HZ1 LYS 22 -0.765 -6.907 -8.718 161 2HZ LYS 22 HZ2 LYS 22 0.129 -5.672 -8.032 162 3HZ LYS 22 HZ3 LYS 22 -1.548 -5.556 -8.115 163 H TYR 23 H TYR 23 -3.986 -5.975 -1.445 164 HA TYR 23 HA TYR 23 -5.340 -7.302 -3.649 165 1HB TYR 23 HB2 TYR 23 -5.742 -8.893 -1.382 166 2HB TYR 23 HB1 TYR 23 -4.677 -9.227 -2.740 167 HD1 TYR 23 HD1 TYR 23 -2.257 -8.775 -2.559 168 HD2 TYR 23 HD2 TYR 23 -4.855 -8.128 0.729 169 HE1 TYR 23 HE1 TYR 23 -0.313 -8.656 -1.063 170 HE2 TYR 23 HE2 TYR 23 -2.926 -8.014 2.237 171 HH TYR 23 HH TYR 23 -0.574 -8.820 2.284 172 H CYS 24 H CYS 24 -6.012 -4.822 -1.757 173 HA CYS 24 HA CYS 24 -8.774 -5.333 -2.164 174 1HB CYS 24 HB2 CYS 24 -9.541 -4.772 0.122 175 2HB CYS 24 HB1 CYS 24 -8.456 -6.160 0.132 176 H THR 25 H THR 25 -10.012 -3.316 -2.072 177 HA THR 25 HA THR 25 -8.238 -1.164 -2.915 178 HB THR 25 HB THR 25 -11.236 -1.258 -3.338 179 HG1 THR 25 HG1 THR 25 -10.551 -3.170 -4.256 180 1HG2 THR 25 HG21 THR 25 -8.955 -0.075 -4.957 181 2HG2 THR 25 HG22 THR 25 -9.984 0.834 -3.857 182 3HG2 THR 25 HG23 THR 25 -10.680 0.102 -5.305 183 H PHE 26 H PHE 26 -9.569 -2.108 -0.155 184 HA PHE 26 HA PHE 26 -10.520 0.491 0.666 185 1HB PHE 26 HB2 PHE 26 -10.486 -2.164 2.118 186 2HB PHE 26 HB1 PHE 26 -11.078 -0.657 2.821 187 HD1 PHE 26 HD1 PHE 26 -11.826 -3.414 0.609 188 HD2 PHE 26 HD2 PHE 26 -13.063 0.466 1.836 189 HE1 PHE 26 HE1 PHE 26 -14.028 -3.792 -0.419 190 HE2 PHE 26 HE2 PHE 26 -15.265 0.094 0.816 191 HZ PHE 26 HZ PHE 26 -15.753 -2.036 -0.318 192 H GLN 27 H GLN 27 -9.345 1.863 1.607 193 HA GLN 27 HA GLN 27 -6.654 1.122 2.491 194 1HB GLN 27 HB2 GLN 27 -6.374 2.585 0.711 195 2HB GLN 27 HB1 GLN 27 -7.791 3.537 1.154 196 1HG GLN 27 HG2 GLN 27 -6.598 4.566 2.961 197 2HG GLN 27 HG1 GLN 27 -5.263 3.430 2.735 198 1HE2 GLN 27 HE21 GLN 27 -3.853 3.816 1.340 199 2HE2 GLN 27 HE22 GLN 27 -3.673 5.208 0.331 200 H THR 28 H THR 28 -5.940 1.726 4.421 201 HA THR 28 HA THR 28 -7.503 3.587 5.954 202 HB THR 28 HB THR 28 -8.285 1.375 6.760 203 HG1 THR 28 HG1 THR 28 -8.066 3.046 8.323 204 1HG2 THR 28 HG21 THR 28 -6.759 -0.192 7.859 205 2HG2 THR 28 HG22 THR 28 -5.405 0.861 7.538 206 3HG2 THR 28 HG23 THR 28 -6.230 0.065 6.195 207 HA PRO 29 HA PRO 29 -3.294 4.973 6.615 208 1HB PRO 29 HB2 PRO 29 -3.906 7.048 8.241 209 2HB PRO 29 HB1 PRO 29 -4.133 7.102 6.487 210 1HG PRO 29 HG2 PRO 29 -6.136 6.551 8.636 211 2HG PRO 29 HG1 PRO 29 -6.283 7.587 7.202 212 1HD PRO 29 HD2 PRO 29 -7.329 5.098 7.277 213 2HD PRO 29 HD1 PRO 29 -6.640 5.784 5.782 214 H ASP 30 H ASP 30 -5.293 3.428 8.770 215 HA ASP 30 HA ASP 30 -3.573 3.820 11.092 216 1HB ASP 30 HB2 ASP 30 -6.265 3.219 10.856 217 2HB ASP 30 HB1 ASP 30 -5.500 1.685 10.972 218 H LEU 31 H LEU 31 -1.776 2.597 11.138 219 HA LEU 31 HA LEU 31 -1.294 0.477 9.447 220 1HB LEU 31 HB2 LEU 31 0.225 1.935 10.993 221 2HB LEU 31 HB1 LEU 31 0.009 0.629 12.133 222 HG LEU 31 HG LEU 31 2.104 0.280 11.025 223 1HD1 LEU 31 HD11 LEU 31 1.784 -1.859 9.851 224 2HD1 LEU 31 HD12 LEU 31 0.046 -1.482 9.804 225 3HD1 LEU 31 HD13 LEU 31 0.835 -1.760 11.354 226 1HD2 LEU 31 HD21 LEU 31 1.729 1.705 9.141 227 2HD2 LEU 31 HD22 LEU 31 0.568 0.563 8.487 228 3HD2 LEU 31 HD23 LEU 31 2.286 0.115 8.585 229 H ASN 32 H ASN 32 -2.563 0.521 12.818 230 HA ASN 32 HA ASN 32 -2.440 -2.210 13.247 231 1HB ASN 32 HB2 ASN 32 -2.895 -0.509 15.030 232 2HB ASN 32 HB1 ASN 32 -4.467 -0.260 14.240 233 1HD2 ASN 32 HD21 ASN 32 -6.098 -1.751 14.479 234 2HD2 ASN 32 HD22 ASN 32 -5.938 -3.063 15.583 235 H MET 33 H MET 33 -4.938 -0.108 11.969 236 HA MET 33 HA MET 33 -6.818 -2.238 11.606 237 1HB MET 33 HB2 MET 33 -6.790 0.422 10.182 238 2HB MET 33 HB1 MET 33 -8.115 -0.717 10.205 239 1HG MET 33 HG2 MET 33 -6.943 0.672 12.535 240 2HG MET 33 HG1 MET 33 -8.464 1.103 11.749 241 1HE MET 33 HE1 MET 33 -9.704 -1.814 11.099 242 2HE MET 33 HE2 MET 33 -10.642 -0.473 11.752 243 3HE MET 33 HE3 MET 33 -10.717 -2.060 12.522 244 H PHE 34 H PHE 34 -4.423 -0.729 9.639 245 HA PHE 34 HA PHE 34 -5.023 -2.030 7.224 246 1HB PHE 34 HB2 PHE 34 -3.458 -0.235 7.149 247 2HB PHE 34 HB1 PHE 34 -2.418 -0.982 8.334 248 HD1 PHE 34 HD1 PHE 34 -3.727 -1.446 4.870 249 HD2 PHE 34 HD2 PHE 34 -0.648 -2.319 7.675 250 HE1 PHE 34 HE1 PHE 34 -2.400 -2.482 3.079 251 HE2 PHE 34 HE2 PHE 34 0.695 -3.355 5.879 252 HZ PHE 34 HZ PHE 34 -0.186 -3.437 3.580 253 H THR 35 H THR 35 -2.698 -2.975 9.703 254 HA THR 35 HA THR 35 -2.134 -5.393 8.318 255 HB THR 35 HB THR 35 -0.408 -4.218 9.677 256 HG1 THR 35 HG1 THR 35 0.592 -5.969 10.216 257 1HG2 THR 35 HG21 THR 35 -0.387 -4.482 12.132 258 2HG2 THR 35 HG22 THR 35 -2.035 -5.140 12.043 259 3HG2 THR 35 HG23 THR 35 -1.701 -3.483 11.518 260 H PHE 36 H PHE 36 -4.350 -4.464 10.795 261 HA PHE 36 HA PHE 36 -5.048 -7.039 11.705 262 1HB PHE 36 HB2 PHE 36 -5.725 -5.236 13.121 263 2HB PHE 36 HB1 PHE 36 -6.466 -4.368 11.810 264 HD1 PHE 36 HD1 PHE 36 -8.762 -4.349 11.796 265 HD2 PHE 36 HD2 PHE 36 -6.761 -7.735 13.378 266 HE1 PHE 36 HE1 PHE 36 -10.940 -5.371 12.323 267 HE2 PHE 36 HE2 PHE 36 -8.933 -8.774 13.931 268 HZ PHE 36 HZ PHE 36 -11.026 -7.587 13.394 269 H HIS 37 H HIS 37 -6.556 -4.879 9.306 270 HA HIS 37 HA HIS 37 -8.500 -6.826 8.705 271 1HB HIS 37 HB2 HIS 37 -9.419 -5.348 7.115 272 2HB HIS 37 HB1 HIS 37 -8.650 -4.274 8.270 273 HD1 HIS 37 HD1 HIS 37 -7.027 -2.606 7.295 274 HD2 HIS 37 HD2 HIS 37 -7.974 -5.672 4.694 275 HE1 HIS 37 HE1 HIS 37 -6.132 -1.892 5.026 276 H VAL 38 H VAL 38 -5.317 -6.237 7.569 277 HA VAL 38 HA VAL 38 -5.458 -7.913 5.299 278 HB VAL 38 HB VAL 38 -3.160 -7.060 7.043 279 1HG1 VAL 38 HG11 VAL 38 -1.630 -8.018 5.300 280 2HG1 VAL 38 HG12 VAL 38 -3.041 -8.677 4.463 281 3HG1 VAL 38 HG13 VAL 38 -2.614 -9.267 6.068 282 1HG2 VAL 38 HG21 VAL 38 -3.922 -6.334 4.217 283 2HG2 VAL 38 HG22 VAL 38 -2.488 -5.752 5.059 284 3HG2 VAL 38 HG23 VAL 38 -4.096 -5.323 5.650 285 H ASP 39 H ASP 39 -4.270 -8.502 8.606 286 HA ASP 39 HA ASP 39 -3.730 -11.226 8.212 287 1HB ASP 39 HB2 ASP 39 -2.748 -9.950 10.039 288 2HB ASP 39 HB1 ASP 39 -4.335 -9.679 10.738 289 H SER 40 H SER 40 -6.618 -9.566 8.859 290 HA SER 40 HA SER 40 -7.972 -11.983 9.723 291 1HB SER 40 HB2 SER 40 -8.303 -9.665 10.766 292 2HB SER 40 HB1 SER 40 -9.250 -9.284 9.332 293 HG SER 40 HG SER 40 -10.827 -10.390 10.082 294 H GLU 41 H GLU 41 -8.030 -9.749 6.911 295 HA GLU 41 HA GLU 41 -10.231 -11.335 5.767 296 1HB GLU 41 HB2 GLU 41 -9.104 -8.692 4.837 297 2HB GLU 41 HB1 GLU 41 -10.464 -9.525 4.108 298 1HG GLU 41 HG2 GLU 41 -11.708 -9.295 6.208 299 2HG GLU 41 HG1 GLU 41 -10.327 -8.442 6.896 300 H HIS 42 H HIS 42 -6.879 -10.407 5.056 301 HA HIS 42 HA HIS 42 -6.767 -12.419 3.011 302 1HB HIS 42 HB2 HIS 42 -5.291 -10.475 1.896 303 2HB HIS 42 HB1 HIS 42 -6.935 -10.832 1.355 304 HD1 HIS 42 HD1 HIS 42 -8.734 -8.988 2.088 305 HD2 HIS 42 HD2 HIS 42 -4.812 -8.002 3.065 306 HE1 HIS 42 HE1 HIS 42 -8.769 -6.564 2.616 307 HA PRO 43 HA PRO 43 -3.182 -12.138 5.938 308 1HB PRO 43 HB2 PRO 43 -3.176 -14.770 6.691 309 2HB PRO 43 HB1 PRO 43 -4.094 -13.506 7.520 310 1HG PRO 43 HG2 PRO 43 -5.007 -15.522 5.528 311 2HG PRO 43 HG1 PRO 43 -5.851 -14.923 6.970 312 1HD PRO 43 HD2 PRO 43 -6.391 -14.122 4.413 313 2HD PRO 43 HD1 PRO 43 -6.661 -13.105 5.838 314 H ASN 44 H ASN 44 -3.856 -14.968 3.852 315 HA ASN 44 HA ASN 44 -1.077 -14.831 2.937 316 1HB ASN 44 HB2 ASN 44 -2.882 -17.227 3.252 317 2HB ASN 44 HB1 ASN 44 -1.502 -17.258 2.164 318 1HD2 ASN 44 HD21 ASN 44 -2.530 -17.216 5.478 319 2HD2 ASN 44 HD22 ASN 44 -0.984 -17.532 6.156 320 H VAL 45 H VAL 45 -0.738 -14.320 0.962 321 HA VAL 45 HA VAL 45 -2.510 -14.809 -1.189 322 HB VAL 45 HB VAL 45 -3.737 -12.970 -0.021 323 1HG1 VAL 45 HG11 VAL 45 -1.235 -11.393 -0.253 324 2HG1 VAL 45 HG12 VAL 45 -1.982 -12.036 1.213 325 3HG1 VAL 45 HG13 VAL 45 -2.810 -10.798 0.274 326 1HG2 VAL 45 HG21 VAL 45 -3.855 -12.987 -2.469 327 2HG2 VAL 45 HG22 VAL 45 -2.402 -11.988 -2.546 328 3HG2 VAL 45 HG23 VAL 45 -3.884 -11.338 -1.836 329 H VAL 46 H VAL 46 -1.474 -13.979 -3.192 330 HA VAL 46 HA VAL 46 1.213 -12.951 -2.881 331 HB VAL 46 HB VAL 46 1.773 -15.266 -3.070 332 1HG1 VAL 46 HG11 VAL 46 0.912 -16.799 -4.769 333 2HG1 VAL 46 HG12 VAL 46 -0.138 -15.530 -5.393 334 3HG1 VAL 46 HG13 VAL 46 -0.387 -16.159 -3.763 335 1HG2 VAL 46 HG21 VAL 46 1.958 -14.168 -5.876 336 2HG2 VAL 46 HG22 VAL 46 2.933 -15.481 -5.217 337 3HG2 VAL 46 HG23 VAL 46 3.100 -13.845 -4.579 338 H LEU 47 H LEU 47 -1.026 -13.981 -5.439 339 HA LEU 47 HA LEU 47 -1.837 -13.055 -7.252 340 1HB LEU 47 HB2 LEU 47 -2.423 -11.224 -5.572 341 2HB LEU 47 HB1 LEU 47 -1.044 -10.340 -6.173 342 HG LEU 47 HG LEU 47 -3.244 -9.541 -7.048 343 1HD1 LEU 47 HD11 LEU 47 -1.242 -9.075 -8.334 344 2HD1 LEU 47 HD12 LEU 47 -2.640 -9.339 -9.378 345 3HD1 LEU 47 HD13 LEU 47 -1.429 -10.608 -9.188 346 1HD2 LEU 47 HD21 LEU 47 -3.315 -12.193 -8.482 347 2HD2 LEU 47 HD22 LEU 47 -4.433 -10.851 -8.717 348 3HD2 LEU 47 HD23 LEU 47 -4.377 -11.688 -7.170 349 H ASN 48 H ASN 48 1.122 -11.034 -6.687 350 HA ASN 48 HA ASN 48 2.584 -12.049 -8.865 351 1HB ASN 48 HB2 ASN 48 0.632 -10.938 -10.122 352 2HB ASN 48 HB1 ASN 48 1.214 -9.408 -9.501 353 1HD2 ASN 48 HD21 ASN 48 1.889 -12.052 -11.685 354 2HD2 ASN 48 HD22 ASN 48 3.044 -11.203 -12.650 355 H SER 49 H SER 49 3.917 -9.594 -9.617 356 HA SER 49 HA SER 49 5.380 -9.210 -7.159 357 1HB SER 49 HB2 SER 49 6.012 -8.347 -9.998 358 2HB SER 49 HB1 SER 49 7.106 -8.351 -8.606 359 HG SER 49 HG SER 49 6.151 -10.743 -8.721 360 H SER 50 H SER 50 5.121 -7.459 -6.048 361 HA SER 50 HA SER 50 3.707 -5.148 -7.125 362 1HB SER 50 HB2 SER 50 3.307 -6.518 -4.486 363 2HB SER 50 HB1 SER 50 2.332 -5.213 -5.156 364 HG SER 50 HG SER 50 2.541 -7.899 -6.029 365 H TYR 51 H TYR 51 3.899 -3.402 -5.337 366 HA TYR 51 HA TYR 51 6.633 -3.424 -4.309 367 1HB TYR 51 HB2 TYR 51 4.982 -1.248 -5.519 368 2HB TYR 51 HB1 TYR 51 6.239 -0.885 -4.362 369 HD1 TYR 51 HD1 TYR 51 6.662 -3.592 -6.850 370 HD2 TYR 51 HD2 TYR 51 7.469 0.469 -5.887 371 HE1 TYR 51 HE1 TYR 51 8.310 -3.488 -8.675 372 HE2 TYR 51 HE2 TYR 51 9.121 0.580 -7.705 373 HH TYR 51 HH TYR 51 9.323 -1.825 -10.072 374 H VAL 52 H VAL 52 6.962 -2.771 -2.290 375 HA VAL 52 HA VAL 52 4.654 -1.972 -0.675 376 HB VAL 52 HB VAL 52 5.141 -4.373 -0.294 377 1HG1 VAL 52 HG11 VAL 52 7.841 -3.483 0.597 378 2HG1 VAL 52 HG12 VAL 52 7.446 -4.382 -0.873 379 3HG1 VAL 52 HG13 VAL 52 7.177 -5.118 0.695 380 1HG2 VAL 52 HG21 VAL 52 4.316 -3.152 1.600 381 2HG2 VAL 52 HG22 VAL 52 5.957 -2.679 2.042 382 3HG2 VAL 52 HG23 VAL 52 5.471 -4.375 2.123 383 H CYS 53 H CYS 53 5.076 -0.313 0.677 384 HA CYS 53 HA CYS 53 7.700 0.969 0.600 385 1HB CYS 53 HB2 CYS 53 5.780 2.389 0.667 386 2HB CYS 53 HB1 CYS 53 5.109 1.572 2.061 387 H VAL 54 H VAL 54 9.178 -0.322 1.630 388 HA VAL 54 HA VAL 54 8.752 -2.091 3.708 389 HB VAL 54 HB VAL 54 11.296 -0.758 4.015 390 1HG1 VAL 54 HG11 VAL 54 12.179 -2.897 3.530 391 2HG1 VAL 54 HG12 VAL 54 10.605 -3.379 2.914 392 3HG1 VAL 54 HG13 VAL 54 10.802 -3.036 4.659 393 1HG2 VAL 54 HG21 VAL 54 11.144 0.001 1.832 394 2HG2 VAL 54 HG22 VAL 54 10.463 -1.482 1.250 395 3HG2 VAL 54 HG23 VAL 54 12.168 -1.432 1.747 396 H GLU 55 H GLU 55 9.262 1.286 3.708 397 HA GLU 55 HA GLU 55 9.971 1.800 6.334 398 1HB GLU 55 HB2 GLU 55 8.262 3.560 4.586 399 2HB GLU 55 HB1 GLU 55 9.297 4.058 5.910 400 1HG GLU 55 HG2 GLU 55 10.309 2.809 3.370 401 2HG GLU 55 HG1 GLU 55 10.182 4.542 3.638 402 H CYS 56 H CYS 56 6.878 1.476 4.790 403 HA CYS 56 HA CYS 56 5.471 1.869 7.402 404 1HB CYS 56 HB2 CYS 56 4.298 1.649 4.653 405 2HB CYS 56 HB1 CYS 56 3.508 2.295 6.081 406 H ASN 57 H ASN 57 6.472 -0.402 5.240 407 HA ASN 57 HA ASN 57 5.893 -2.257 4.335 408 1HB ASN 57 HB2 ASN 57 6.518 -2.911 6.783 409 2HB ASN 57 HB1 ASN 57 4.874 -3.501 6.842 410 1HD2 ASN 57 HD21 ASN 57 7.736 -3.679 5.316 411 2HD2 ASN 57 HD22 ASN 57 7.538 -5.237 4.590 412 H PHE 58 H PHE 58 4.437 -1.162 3.211 413 HA PHE 58 HA PHE 58 1.896 -2.421 3.615 414 1HB PHE 58 HB2 PHE 58 0.589 -0.538 3.616 415 2HB PHE 58 HB1 PHE 58 2.074 0.216 4.156 416 HD1 PHE 58 HD1 PHE 58 3.267 1.765 2.661 417 HD2 PHE 58 HD2 PHE 58 -0.262 -0.207 1.435 418 HE1 PHE 58 HE1 PHE 58 3.024 3.381 0.740 419 HE2 PHE 58 HE2 PHE 58 -0.512 1.402 -0.444 420 HZ PHE 58 HZ PHE 58 1.138 3.172 -0.768 421 H LEU 59 H LEU 59 1.172 -3.424 1.831 422 HA LEU 59 HA LEU 59 2.694 -3.146 -0.632 423 1HB LEU 59 HB2 LEU 59 1.022 -5.294 0.545 424 2HB LEU 59 HB1 LEU 59 1.000 -5.121 -1.202 425 HG LEU 59 HG LEU 59 3.586 -5.435 0.285 426 1HD1 LEU 59 HD11 LEU 59 3.402 -7.814 -0.282 427 2HD1 LEU 59 HD12 LEU 59 1.813 -7.517 -0.993 428 3HD1 LEU 59 HD13 LEU 59 2.042 -7.345 0.748 429 1HD2 LEU 59 HD21 LEU 59 2.680 -5.868 -2.564 430 2HD2 LEU 59 HD22 LEU 59 4.288 -6.194 -1.955 431 3HD2 LEU 59 HD23 LEU 59 3.682 -4.542 -1.992 432 H THR 60 H THR 60 1.714 -2.370 -2.457 433 HA THR 60 HA THR 60 -1.132 -1.799 -2.283 434 HB THR 60 HB THR 60 -0.231 0.290 -1.891 435 HG1 THR 60 HG1 THR 60 -1.558 1.039 -3.385 436 1HG2 THR 60 HG21 THR 60 1.819 -0.117 -4.089 437 2HG2 THR 60 HG22 THR 60 2.117 -0.263 -2.368 438 3HG2 THR 60 HG23 THR 60 1.718 1.295 -3.032 439 H LYS 61 H LYS 61 -2.096 -1.362 -4.381 440 HA LYS 61 HA LYS 61 -1.368 -3.528 -6.188 441 1HB LYS 61 HB2 LYS 61 -3.523 -3.143 -7.244 442 2HB LYS 61 HB1 LYS 61 -3.726 -3.258 -5.503 443 1HG LYS 61 HG2 LYS 61 -3.881 -0.817 -5.359 444 2HG LYS 61 HG1 LYS 61 -3.645 -0.698 -7.098 445 1HD LYS 61 HD2 LYS 61 -5.996 -0.463 -6.617 446 2HD LYS 61 HD1 LYS 61 -5.737 -2.011 -7.415 447 1HE LYS 61 HE2 LYS 61 -7.312 -2.149 -5.511 448 2HE LYS 61 HE1 LYS 61 -5.897 -3.178 -5.299 449 1HZ LYS 61 HZ1 LYS 61 -6.099 -0.452 -4.118 450 2HZ LYS 61 HZ2 LYS 61 -4.984 -1.669 -3.750 451 3HZ LYS 61 HZ3 LYS 61 -6.565 -1.855 -3.301 452 H ARG 62 H ARG 62 -0.893 -0.215 -5.934 453 HA ARG 62 HA ARG 62 -0.418 -0.031 -8.823 454 1HB ARG 62 HB2 ARG 62 -0.980 2.293 -8.713 455 2HB ARG 62 HB1 ARG 62 -2.281 1.402 -7.941 456 1HG ARG 62 HG2 ARG 62 -1.108 1.927 -5.737 457 2HG ARG 62 HG1 ARG 62 -0.142 3.061 -6.678 458 1HD ARG 62 HD2 ARG 62 -1.937 4.282 -5.728 459 2HD ARG 62 HD1 ARG 62 -2.282 4.095 -7.448 460 HE ARG 62 HE ARG 62 -3.468 2.479 -5.295 461 1HH1 ARG 62 HH11 ARG 62 -3.745 3.937 -8.556 462 2HH1 ARG 62 HH12 ARG 62 -5.355 3.431 -8.742 463 1HH2 ARG 62 HH21 ARG 62 -5.633 1.882 -5.594 464 2HH2 ARG 62 HH22 ARG 62 -6.493 2.319 -7.000 465 H TYR 63 H TYR 63 1.427 1.234 -9.387 466 HA TYR 63 HA TYR 63 3.482 0.963 -7.385 467 1HB TYR 63 HB2 TYR 63 3.676 1.696 -10.319 468 2HB TYR 63 HB1 TYR 63 5.045 1.381 -9.249 469 HD1 TYR 63 HD1 TYR 63 2.501 -0.118 -11.349 470 HD2 TYR 63 HD2 TYR 63 5.318 -0.938 -8.276 471 HE1 TYR 63 HE1 TYR 63 2.316 -2.535 -11.834 472 HE2 TYR 63 HE2 TYR 63 5.148 -3.346 -8.754 473 HH TYR 63 HH TYR 63 3.592 -4.913 -9.726 474 H ASP 64 H ASP 64 1.445 3.302 -8.694 475 HA ASP 64 HA ASP 64 2.798 5.752 -8.377 476 1HB ASP 64 HB2 ASP 64 -0.105 5.167 -7.747 477 2HB ASP 64 HB1 ASP 64 0.589 6.768 -7.783 478 H ALA 65 H ALA 65 1.129 3.858 -5.996 479 HA ALA 65 HA ALA 65 1.009 5.819 -4.041 480 1HB ALA 65 HB1 ALA 65 -0.409 3.903 -3.986 481 2HB ALA 65 HB2 ALA 65 0.540 3.958 -2.497 482 3HB ALA 65 HB3 ALA 65 0.977 2.841 -3.802 483 H LEU 66 H LEU 66 3.599 3.751 -4.951 484 HA LEU 66 HA LEU 66 5.100 4.243 -2.532 485 1HB LEU 66 HB2 LEU 66 6.065 3.120 -5.124 486 2HB LEU 66 HB1 LEU 66 6.928 3.073 -3.596 487 HG LEU 66 HG LEU 66 6.157 0.940 -3.841 488 1HD1 LEU 66 HD11 LEU 66 5.636 1.755 -1.627 489 2HD1 LEU 66 HD12 LEU 66 4.442 0.565 -2.150 490 3HD1 LEU 66 HD13 LEU 66 4.047 2.279 -2.193 491 1HD2 LEU 66 HD21 LEU 66 4.744 1.263 -5.757 492 2HD2 LEU 66 HD22 LEU 66 3.517 2.038 -4.763 493 3HD2 LEU 66 HD23 LEU 66 3.877 0.321 -4.540 494 H SER 67 H SER 67 4.885 5.456 -5.780 495 HA SER 67 HA SER 67 7.319 6.999 -5.791 496 1HB SER 67 HB2 SER 67 4.825 6.750 -7.328 497 2HB SER 67 HB1 SER 67 5.952 8.038 -7.765 498 HG SER 67 HG SER 67 6.764 5.310 -7.493 499 H GLU 68 H GLU 68 3.900 7.691 -5.418 500 HA GLU 68 HA GLU 68 4.363 10.427 -4.840 501 1HB GLU 68 HB2 GLU 68 1.828 9.229 -3.928 502 2HB GLU 68 HB1 GLU 68 2.153 10.718 -4.794 503 1HG GLU 68 HG2 GLU 68 2.740 9.244 -6.787 504 2HG GLU 68 HG1 GLU 68 1.985 7.971 -5.895 505 H HIS 69 H HIS 69 4.467 7.590 -3.108 506 HA HIS 69 HA HIS 69 3.604 8.140 -0.569 507 1HB HIS 69 HB2 HIS 69 4.658 6.038 -1.582 508 2HB HIS 69 HB1 HIS 69 6.179 6.716 -0.958 509 HD1 HIS 69 HD1 HIS 69 2.714 5.821 0.298 510 HD2 HIS 69 HD2 HIS 69 6.651 5.993 1.465 511 HE1 HIS 69 HE1 HIS 69 2.744 4.971 2.674 512 H ASN 70 H ASN 70 7.023 8.652 -1.599 513 HA ASN 70 HA ASN 70 7.611 10.223 0.723 514 1HB ASN 70 HB2 ASN 70 9.746 10.709 -0.442 515 2HB ASN 70 HB1 ASN 70 9.412 8.997 -0.256 516 1HD2 ASN 70 HD21 ASN 70 11.157 10.052 -1.941 517 2HD2 ASN 70 HD22 ASN 70 10.648 9.704 -3.597 518 H LEU 71 H LEU 71 6.010 10.945 -2.035 519 HA LEU 71 HA LEU 71 6.710 13.726 -2.145 520 1HB LEU 71 HB2 LEU 71 6.049 12.906 -4.214 521 2HB LEU 71 HB1 LEU 71 4.835 11.869 -3.514 522 HG LEU 71 HG LEU 71 3.354 13.710 -3.243 523 1HD1 LEU 71 HD11 LEU 71 5.527 15.347 -4.627 524 2HD1 LEU 71 HD12 LEU 71 5.008 15.549 -2.955 525 3HD1 LEU 71 HD13 LEU 71 3.903 15.937 -4.273 526 1HD2 LEU 71 HD21 LEU 71 4.489 13.487 -6.023 527 2HD2 LEU 71 HD22 LEU 71 2.908 14.158 -5.625 528 3HD2 LEU 71 HD23 LEU 71 3.255 12.464 -5.289 529 H LYS 72 H LYS 72 3.936 11.829 -1.044 530 HA LYS 72 HA LYS 72 2.999 14.185 0.415 531 1HB LYS 72 HB2 LYS 72 0.831 12.521 0.372 532 2HB LYS 72 HB1 LYS 72 1.070 13.902 -0.712 533 1HG LYS 72 HG2 LYS 72 2.233 12.167 -2.211 534 2HG LYS 72 HG1 LYS 72 1.547 10.963 -1.173 535 1HD LYS 72 HD2 LYS 72 0.001 13.004 -2.763 536 2HD LYS 72 HD1 LYS 72 0.086 11.260 -3.034 537 1HE LYS 72 HE2 LYS 72 -1.022 10.887 -0.856 538 2HE LYS 72 HE1 LYS 72 -1.086 12.620 -0.618 539 1HZ LYS 72 HZ1 LYS 72 -2.561 12.839 -2.471 540 2HZ LYS 72 HZ2 LYS 72 -3.177 11.691 -1.412 541 3HZ LYS 72 HZ3 LYS 72 -2.435 11.199 -2.846 542 H TYR 73 H TYR 73 3.538 10.837 0.781 543 HA TYR 73 HA TYR 73 2.466 10.683 3.480 544 1HB TYR 73 HB2 TYR 73 3.904 8.696 1.756 545 2HB TYR 73 HB1 TYR 73 3.282 8.290 3.361 546 HD1 TYR 73 HD1 TYR 73 2.050 9.874 0.210 547 HD2 TYR 73 HD2 TYR 73 1.306 7.074 3.299 548 HE1 TYR 73 HE1 TYR 73 -0.015 9.251 -0.889 549 HE2 TYR 73 HE2 TYR 73 -0.776 6.420 2.207 550 HH TYR 73 HH TYR 73 -2.439 7.718 0.599 551 H HIS 74 H HIS 74 5.687 10.162 1.986 552 HA HIS 74 HA HIS 74 6.897 10.980 4.597 553 1HB HIS 74 HB2 HIS 74 8.130 9.290 2.387 554 2HB HIS 74 HB1 HIS 74 9.015 9.855 3.784 555 HD1 HIS 74 HD1 HIS 74 9.053 8.209 5.755 556 HD2 HIS 74 HD2 HIS 74 6.190 7.371 2.893 557 HE1 HIS 74 HE1 HIS 74 8.245 5.890 6.273 558 HA PRO 75 HA PRO 75 7.781 14.160 1.292 559 1HB PRO 75 HB2 PRO 75 6.968 16.334 2.613 560 2HB PRO 75 HB1 PRO 75 5.821 15.271 1.785 561 1HG PRO 75 HG2 PRO 75 6.576 15.303 4.698 562 2HG PRO 75 HG1 PRO 75 4.952 15.246 3.969 563 1HD PRO 75 HD2 PRO 75 6.197 13.021 4.860 564 2HD PRO 75 HD1 PRO 75 5.134 13.041 3.441 565 H GLY 76 H GLY 76 9.525 15.383 1.051 566 1HA GLY 76 HA2 GLY 76 10.918 17.020 2.625 567 2HA GLY 76 HA1 GLY 76 11.482 15.446 3.173 568 H GLU 77 H GLU 77 11.425 14.096 0.710 569 HA GLU 77 HA GLU 77 13.028 15.452 -1.222 570 1HB GLU 77 HB2 GLU 77 15.014 14.005 -0.935 571 2HB GLU 77 HB1 GLU 77 14.759 15.013 0.474 572 1HG GLU 77 HG2 GLU 77 15.108 13.094 1.611 573 2HG GLU 77 HG1 GLU 77 13.422 12.785 1.187 574 H GLU 78 H GLU 78 13.767 13.616 -2.854 575 HA GLU 78 HA GLU 78 11.670 11.581 -2.804 576 1HB GLU 78 HB2 GLU 78 10.949 13.501 -4.179 577 2HB GLU 78 HB1 GLU 78 12.436 13.286 -5.109 578 1HG GLU 78 HG2 GLU 78 11.669 11.204 -5.966 579 2HG GLU 78 HG1 GLU 78 10.250 11.222 -4.915 580 H ASN 79 H ASN 79 13.260 10.089 -2.238 581 HA ASN 79 HA ASN 79 14.851 9.078 -4.472 582 1HB ASN 79 HB2 ASN 79 15.898 9.768 -1.749 583 2HB ASN 79 HB1 ASN 79 16.841 8.845 -2.936 584 1HD2 ASN 79 HD21 ASN 79 15.596 11.832 -1.957 585 2HD2 ASN 79 HD22 ASN 79 16.347 12.893 -3.094 586 H PHE 80 H PHE 80 13.519 7.317 -4.461 587 HA PHE 80 HA PHE 80 13.477 5.675 -2.038 588 1HB PHE 80 HB2 PHE 80 11.550 6.118 -4.202 589 2HB PHE 80 HB1 PHE 80 11.856 4.421 -3.888 590 HD1 PHE 80 HD1 PHE 80 11.648 3.676 -1.419 591 HD2 PHE 80 HD2 PHE 80 10.006 7.275 -2.939 592 HE1 PHE 80 HE1 PHE 80 9.962 3.650 0.358 593 HE2 PHE 80 HE2 PHE 80 8.339 7.274 -1.115 594 HZ PHE 80 HZ PHE 80 8.310 5.446 0.509 595 H LYS 81 H LYS 81 14.159 3.534 -2.112 596 HA LYS 81 HA LYS 81 15.816 2.809 -4.435 597 1HB LYS 81 HB2 LYS 81 17.409 2.001 -2.964 598 2HB LYS 81 HB1 LYS 81 16.628 3.165 -1.897 599 1HG LYS 81 HG2 LYS 81 15.315 1.482 -0.869 600 2HG LYS 81 HG1 LYS 81 15.860 0.278 -2.027 601 1HD LYS 81 HD2 LYS 81 18.211 0.786 -1.169 602 2HD LYS 81 HD1 LYS 81 17.371 1.585 0.176 603 1HE LYS 81 HE2 LYS 81 16.127 -0.463 0.616 604 2HE LYS 81 HE1 LYS 81 16.954 -1.232 -0.734 605 1HZ LYS 81 HZ1 LYS 81 19.054 -1.059 0.468 606 2HZ LYS 81 HZ2 LYS 81 17.939 -1.823 1.452 607 3HZ LYS 81 HZ3 LYS 81 18.310 -0.216 1.720 608 H LEU 82 H LEU 82 15.876 0.290 -4.664 609 HA LEU 82 HA LEU 82 13.316 -0.804 -3.849 610 1HB LEU 82 HB2 LEU 82 13.053 -1.944 -6.013 611 2HB LEU 82 HB1 LEU 82 12.994 -0.206 -6.172 612 HG LEU 82 HG LEU 82 15.515 -1.726 -6.736 613 1HD1 LEU 82 HD11 LEU 82 13.245 -1.099 -8.661 614 2HD1 LEU 82 HD12 LEU 82 13.715 -2.712 -8.121 615 3HD1 LEU 82 HD13 LEU 82 14.813 -1.762 -9.122 616 1HD2 LEU 82 HD21 LEU 82 15.670 0.712 -6.549 617 2HD2 LEU 82 HD22 LEU 82 14.429 0.893 -7.790 618 3HD2 LEU 82 HD23 LEU 82 15.988 0.178 -8.196 619 H THR 83 H THR 83 13.437 -2.723 -2.970 620 HA THR 83 HA THR 83 15.786 -4.321 -3.460 621 HB THR 83 HB THR 83 16.304 -3.093 -1.444 622 HG1 THR 83 HG1 THR 83 16.594 -5.452 -1.601 623 1HG2 THR 83 HG21 THR 83 14.027 -2.452 -0.763 624 2HG2 THR 83 HG22 THR 83 14.943 -3.110 0.581 625 3HG2 THR 83 HG23 THR 83 13.731 -4.111 -0.233 626 H MET 84 H MET 84 15.097 -6.536 -3.797 627 HA MET 84 HA MET 84 12.207 -6.905 -3.257 628 1HB MET 84 HB2 MET 84 13.816 -9.023 -4.625 629 2HB MET 84 HB1 MET 84 12.154 -8.522 -4.887 630 1HG MET 84 HG2 MET 84 13.327 -7.998 -6.843 631 2HG MET 84 HG1 MET 84 13.035 -6.489 -5.989 632 1HE MET 84 HE1 MET 84 16.454 -5.778 -7.757 633 2HE MET 84 HE2 MET 84 14.820 -5.192 -7.463 634 3HE MET 84 HE3 MET 84 15.069 -6.672 -8.386 635 H VAL 85 H VAL 85 12.083 -7.490 -1.177 636 HA VAL 85 HA VAL 85 13.011 -10.115 -0.585 637 HB VAL 85 HB VAL 85 13.619 -9.201 1.857 638 1HG1 VAL 85 HG11 VAL 85 15.541 -9.000 -0.464 639 2HG1 VAL 85 HG12 VAL 85 15.162 -10.470 0.436 640 3HG1 VAL 85 HG13 VAL 85 15.994 -9.135 1.233 641 1HG2 VAL 85 HG21 VAL 85 13.130 -6.846 1.369 642 2HG2 VAL 85 HG22 VAL 85 14.344 -6.854 0.087 643 3HG2 VAL 85 HG23 VAL 85 14.840 -7.055 1.766 644 H LYS 86 H LYS 86 10.956 -11.006 -0.166 645 HA LYS 86 HA LYS 86 9.692 -9.650 2.040 646 1HB LYS 86 HB2 LYS 86 8.568 -8.989 -0.183 647 2HB LYS 86 HB1 LYS 86 7.911 -10.628 -0.162 648 1HG LYS 86 HG2 LYS 86 6.284 -9.251 0.672 649 2HG LYS 86 HG1 LYS 86 6.942 -10.078 2.092 650 1HD LYS 86 HD2 LYS 86 8.217 -8.145 2.741 651 2HD LYS 86 HD1 LYS 86 7.949 -7.350 1.204 652 1HE LYS 86 HE2 LYS 86 6.436 -6.182 2.541 653 2HE LYS 86 HE1 LYS 86 5.455 -7.473 1.914 654 1HZ LYS 86 HZ1 LYS 86 5.300 -7.085 4.401 655 2HZ LYS 86 HZ2 LYS 86 6.834 -7.702 4.528 656 3HZ LYS 86 HZ3 LYS 86 5.607 -8.688 3.989 657 H ARG 87 H ARG 87 9.207 -10.994 3.562 658 HA ARG 87 HA ARG 87 9.487 -13.798 2.830 659 1HB ARG 87 HB2 ARG 87 10.505 -12.424 5.330 660 2HB ARG 87 HB1 ARG 87 10.649 -14.138 4.977 661 1HG ARG 87 HG2 ARG 87 12.788 -13.289 4.421 662 2HG ARG 87 HG1 ARG 87 11.933 -13.403 2.881 663 1HD ARG 87 HD2 ARG 87 13.157 -11.310 2.966 664 2HD ARG 87 HD1 ARG 87 11.429 -11.024 2.948 665 HE ARG 87 HE ARG 87 12.597 -11.051 5.591 666 1HH1 ARG 87 HH11 ARG 87 11.638 -8.898 2.853 667 2HH1 ARG 87 HH12 ARG 87 11.755 -7.508 3.740 668 1HH2 ARG 87 HH21 ARG 87 12.708 -9.049 6.804 669 2HH2 ARG 87 HH22 ARG 87 12.392 -7.565 6.012 670 H ASN 88 H ASN 88 8.282 -15.284 4.075 671 HA ASN 88 HA ASN 88 6.463 -16.082 5.100 672 1HB ASN 88 HB2 ASN 88 6.750 -13.564 6.744 673 2HB ASN 88 HB1 ASN 88 5.494 -14.750 7.065 674 1HD2 ASN 88 HD21 ASN 88 6.054 -16.726 7.902 675 2HD2 ASN 88 HD22 ASN 88 7.584 -17.055 8.597 676 H ASN 89 H ASN 89 6.208 -14.149 2.812 677 HA ASN 89 HA ASN 89 3.293 -13.939 2.955 678 1HB ASN 89 HB2 ASN 89 5.071 -11.629 2.067 679 2HB ASN 89 HB1 ASN 89 3.341 -11.699 1.813 680 1HD2 ASN 89 HD21 ASN 89 5.922 -11.085 4.042 681 2HD2 ASN 89 HD22 ASN 89 4.921 -10.506 5.316 682 H GLN 90 H GLN 90 5.430 -12.524 0.581 683 HA GLN 90 HA GLN 90 5.439 -14.671 -1.250 684 1HB GLN 90 HB2 GLN 90 4.274 -13.562 -3.019 685 2HB GLN 90 HB1 GLN 90 3.164 -13.585 -1.635 686 1HG GLN 90 HG2 GLN 90 4.814 -11.251 -2.431 687 2HG GLN 90 HG1 GLN 90 3.190 -11.515 -3.074 688 1HE2 GLN 90 HE21 GLN 90 5.119 -10.497 -0.458 689 2HE2 GLN 90 HE22 GLN 90 3.775 -9.972 0.537 690 H THR 91 H THR 91 6.682 -13.639 -3.256 691 HA THR 91 HA THR 91 8.464 -11.759 -1.995 692 HB THR 91 HB THR 91 9.980 -12.446 -4.040 693 HG1 THR 91 HG1 THR 91 8.427 -14.782 -3.624 694 1HG2 THR 91 HG21 THR 91 9.530 -14.240 -1.618 695 2HG2 THR 91 HG22 THR 91 10.513 -12.801 -1.623 696 3HG2 THR 91 HG23 THR 91 10.995 -14.188 -2.591 697 H ILE 92 H ILE 92 8.316 -9.826 -2.363 698 HA ILE 92 HA ILE 92 7.511 -8.732 -4.864 699 HB ILE 92 HB ILE 92 6.076 -7.054 -3.574 700 1HG1 ILE 92 HG12 ILE 92 4.931 -8.293 -1.559 701 2HG1 ILE 92 HG11 ILE 92 6.469 -9.118 -1.525 702 1HG2 ILE 92 HG21 ILE 92 5.126 -8.742 -5.091 703 2HG2 ILE 92 HG22 ILE 92 4.064 -8.369 -3.750 704 3HG2 ILE 92 HG23 ILE 92 5.006 -9.868 -3.747 705 1HD1 ILE 92 HD11 ILE 92 6.397 -7.144 -0.070 706 2HD1 ILE 92 HD12 ILE 92 6.283 -6.137 -1.517 707 3HD1 ILE 92 HD13 ILE 92 7.696 -7.144 -1.248 708 H PHE 93 H PHE 93 7.898 -6.284 -4.915 709 HA PHE 93 HA PHE 93 10.680 -6.016 -4.081 710 1HB PHE 93 HB2 PHE 93 8.867 -4.258 -5.735 711 2HB PHE 93 HB1 PHE 93 10.565 -3.974 -5.464 712 HD1 PHE 93 HD1 PHE 93 8.131 -6.222 -7.110 713 HD2 PHE 93 HD2 PHE 93 12.132 -4.936 -6.783 714 HE1 PHE 93 HE1 PHE 93 8.663 -7.387 -9.241 715 HE2 PHE 93 HE2 PHE 93 12.697 -6.102 -8.909 716 HZ PHE 93 HZ PHE 93 10.945 -7.323 -10.125 717 H GLU 94 H GLU 94 11.160 -4.817 -2.315 718 HA GLU 94 HA GLU 94 9.104 -3.181 -1.116 719 1HB GLU 94 HB2 GLU 94 11.788 -4.021 0.032 720 2HB GLU 94 HB1 GLU 94 10.454 -3.272 0.881 721 1HG GLU 94 HG2 GLU 94 9.155 -5.381 0.194 722 2HG GLU 94 HG1 GLU 94 10.758 -6.072 -0.027 723 H GLN 95 H GLN 95 9.466 -1.037 -0.823 724 HA GLN 95 HA GLN 95 11.818 0.018 -2.227 725 1HB GLN 95 HB2 GLN 95 9.486 0.186 -3.349 726 2HB GLN 95 HB1 GLN 95 9.131 1.387 -2.111 727 1HG GLN 95 HG2 GLN 95 10.902 2.775 -2.862 728 2HG GLN 95 HG1 GLN 95 11.474 1.528 -3.963 729 1HE2 GLN 95 HE21 GLN 95 9.144 4.031 -3.377 730 2HE2 GLN 95 HE22 GLN 95 8.517 4.067 -4.980 731 H THR 96 H THR 96 13.144 0.950 -0.757 732 HA THR 96 HA THR 96 11.987 2.182 1.660 733 HB THR 96 HB THR 96 14.827 1.787 1.845 734 HG1 THR 96 HG1 THR 96 14.373 -0.684 1.899 735 1HG2 THR 96 HG21 THR 96 13.353 1.986 3.765 736 2HG2 THR 96 HG22 THR 96 14.132 0.399 3.816 737 3HG2 THR 96 HG23 THR 96 12.465 0.559 3.275 738 H ILE 97 H ILE 97 13.162 4.043 2.471 739 HA ILE 97 HA ILE 97 14.169 5.737 0.279 740 HB ILE 97 HB ILE 97 13.285 6.685 3.029 741 1HG1 ILE 97 HG12 ILE 97 11.508 6.674 0.636 742 2HG1 ILE 97 HG11 ILE 97 11.575 5.230 1.632 743 1HG2 ILE 97 HG21 ILE 97 13.224 7.974 0.273 744 2HG2 ILE 97 HG22 ILE 97 14.571 8.136 1.384 745 3HG2 ILE 97 HG23 ILE 97 12.995 8.767 1.841 746 1HD1 ILE 97 HD11 ILE 97 10.939 6.830 3.557 747 2HD1 ILE 97 HD12 ILE 97 9.750 6.340 2.387 748 3HD1 ILE 97 HD13 ILE 97 10.452 7.945 2.249 749 H ASN 98 H ASN 98 15.958 7.034 0.729 750 HA ASN 98 HA ASN 98 17.859 5.758 2.544 751 1HB ASN 98 HB2 ASN 98 19.510 7.217 1.231 752 2HB ASN 98 HB1 ASN 98 18.751 5.895 0.345 753 1HD2 ASN 98 HD21 ASN 98 17.249 9.048 1.121 754 2HD2 ASN 98 HD22 ASN 98 17.118 9.560 -0.486 755 H ASP 99 H ASP 99 15.656 7.905 3.072 756 HA ASP 99 HA ASP 99 17.311 9.722 4.691 757 1HB ASP 99 HB2 ASP 99 17.121 10.590 2.346 758 2HB ASP 99 HB1 ASP 99 15.415 10.757 2.627 759 H LEU 100 H LEU 100 14.049 9.358 3.342 760 HA LEU 100 HA LEU 100 12.739 10.627 5.558 761 1HB LEU 100 HB2 LEU 100 11.483 9.158 3.211 762 2HB LEU 100 HB1 LEU 100 10.798 10.361 4.271 763 HG LEU 100 HG LEU 100 13.157 11.244 2.740 764 1HD1 LEU 100 HD11 LEU 100 11.572 11.781 0.838 765 2HD1 LEU 100 HD12 LEU 100 10.520 10.501 1.479 766 3HD1 LEU 100 HD13 LEU 100 12.156 10.148 0.929 767 1HD2 LEU 100 HD21 LEU 100 11.897 13.257 2.619 768 2HD2 LEU 100 HD22 LEU 100 11.824 12.681 4.300 769 3HD2 LEU 100 HD23 LEU 100 10.460 12.447 3.190 770 H THR 101 H THR 101 14.161 7.968 5.591 771 HA THR 101 HA THR 101 12.359 5.974 6.414 772 HB THR 101 HB THR 101 15.330 6.272 6.906 773 HG1 THR 101 HG1 THR 101 13.978 5.159 4.695 774 1HG2 THR 101 HG21 THR 101 13.624 3.824 6.402 775 2HG2 THR 101 HG22 THR 101 14.261 4.273 7.994 776 3HG2 THR 101 HG23 THR 101 15.354 3.825 6.674 777 H PHE 102 H PHE 102 13.940 8.723 7.786 778 HA PHE 102 HA PHE 102 13.233 7.909 10.518 779 1HB PHE 102 HB2 PHE 102 15.431 9.803 9.630 780 2HB PHE 102 HB1 PHE 102 15.005 9.457 11.300 781 HD1 PHE 102 HD1 PHE 102 15.431 7.190 12.223 782 HD2 PHE 102 HD2 PHE 102 16.813 8.357 8.375 783 HE1 PHE 102 HE1 PHE 102 17.023 5.315 12.231 784 HE2 PHE 102 HE2 PHE 102 18.406 6.485 8.369 785 HZ PHE 102 HZ PHE 102 18.514 4.959 10.299 Start of MODEL 20 1 HA MET 1 HA MET 1 -10.087 28.494 -15.333 2 1HB MET 1 HB2 MET 1 -8.299 28.763 -13.712 3 2HB MET 1 HB1 MET 1 -8.836 30.391 -13.332 4 1HG MET 1 HG2 MET 1 -9.441 28.746 -11.595 5 2HG MET 1 HG1 MET 1 -10.842 29.552 -12.296 6 1HE MET 1 HE1 MET 1 -12.477 27.740 -11.303 7 2HE MET 1 HE2 MET 1 -11.134 26.862 -10.564 8 3HE MET 1 HE3 MET 1 -12.306 26.006 -11.559 9 H ALA 2 H ALA 2 -12.167 28.514 -14.984 10 HA ALA 2 HA ALA 2 -13.520 30.913 -14.116 11 1HB ALA 2 HB1 ALA 2 -13.468 31.178 -16.534 12 2HB ALA 2 HB2 ALA 2 -15.112 30.835 -15.980 13 3HB ALA 2 HB3 ALA 2 -14.150 29.565 -16.736 14 H HIS 3 H HIS 3 -14.187 27.713 -15.569 15 HA HIS 3 HA HIS 3 -15.832 27.071 -13.224 16 1HB HIS 3 HB2 HIS 3 -16.672 26.838 -16.117 17 2HB HIS 3 HB1 HIS 3 -17.513 26.040 -14.796 18 HD1 HIS 3 HD1 HIS 3 -17.471 29.134 -16.698 19 HD2 HIS 3 HD2 HIS 3 -18.602 27.941 -12.889 20 HE1 HIS 3 HE1 HIS 3 -18.979 30.954 -15.813 21 H HIS 4 H HIS 4 -13.153 26.207 -14.115 22 HA HIS 4 HA HIS 4 -13.470 23.527 -15.062 23 1HB HIS 4 HB2 HIS 4 -11.323 24.876 -15.325 24 2HB HIS 4 HB1 HIS 4 -11.063 24.660 -13.599 25 HD1 HIS 4 HD1 HIS 4 -9.618 22.640 -13.020 26 HD2 HIS 4 HD2 HIS 4 -11.495 22.281 -16.713 27 HE1 HIS 4 HE1 HIS 4 -8.788 20.500 -14.019 28 H HIS 5 H HIS 5 -14.412 22.058 -13.925 29 HA HIS 5 HA HIS 5 -14.731 22.255 -11.099 30 1HB HIS 5 HB2 HIS 5 -15.626 20.222 -13.130 31 2HB HIS 5 HB1 HIS 5 -15.919 20.020 -11.408 32 HD1 HIS 5 HD1 HIS 5 -16.985 22.180 -14.358 33 HD2 HIS 5 HD2 HIS 5 -17.883 21.575 -10.349 34 HE1 HIS 5 HE1 HIS 5 -19.110 23.442 -13.921 35 H HIS 6 H HIS 6 -13.260 21.697 -9.733 36 HA HIS 6 HA HIS 6 -11.344 19.602 -10.414 37 1HB HIS 6 HB2 HIS 6 -11.326 21.653 -8.184 38 2HB HIS 6 HB1 HIS 6 -10.075 20.447 -8.453 39 HD1 HIS 6 HD1 HIS 6 -11.104 23.834 -9.409 40 HD2 HIS 6 HD2 HIS 6 -8.592 20.880 -10.876 41 HE1 HIS 6 HE1 HIS 6 -9.571 24.979 -11.030 42 H HIS 7 H HIS 7 -12.025 17.675 -9.771 43 HA HIS 7 HA HIS 7 -13.730 17.392 -7.467 44 1HB HIS 7 HB2 HIS 7 -12.346 15.295 -9.180 45 2HB HIS 7 HB1 HIS 7 -13.510 14.950 -7.913 46 HD1 HIS 7 HD1 HIS 7 -13.264 16.027 -11.470 47 HD2 HIS 7 HD2 HIS 7 -16.178 15.562 -8.548 48 HE1 HIS 7 HE1 HIS 7 -15.486 16.072 -12.679 49 H HIS 8 H HIS 8 -12.710 17.905 -5.626 50 HA HIS 8 HA HIS 8 -9.950 17.455 -5.175 51 1HB HIS 8 HB2 HIS 8 -12.142 17.914 -3.123 52 2HB HIS 8 HB1 HIS 8 -10.413 18.030 -2.830 53 HD1 HIS 8 HD1 HIS 8 -13.172 20.155 -3.341 54 HD2 HIS 8 HD2 HIS 8 -9.265 20.106 -4.735 55 HE1 HIS 8 HE1 HIS 8 -12.672 22.508 -4.108 56 H ASN 9 H ASN 9 -9.190 15.549 -5.169 57 HA ASN 9 HA ASN 9 -8.954 13.347 -5.100 58 1HB ASN 9 HB2 ASN 9 -10.426 13.624 -2.481 59 2HB ASN 9 HB1 ASN 9 -9.900 12.067 -3.086 60 1HD2 ASN 9 HD21 ASN 9 -8.509 11.658 -1.515 61 2HD2 ASN 9 HD22 ASN 9 -7.057 12.551 -1.188 62 H GLN 10 H GLN 10 -12.096 13.023 -3.564 63 HA GLN 10 HA GLN 10 -13.863 11.672 -4.109 64 1HB GLN 10 HB2 GLN 10 -13.807 13.714 -5.929 65 2HB GLN 10 HB1 GLN 10 -13.559 12.365 -7.020 66 1HG GLN 10 HG2 GLN 10 -15.921 12.712 -5.163 67 2HG GLN 10 HG1 GLN 10 -15.916 13.066 -6.885 68 1HE2 GLN 10 HE21 GLN 10 -15.940 10.585 -4.459 69 2HE2 GLN 10 HE22 GLN 10 -16.352 9.284 -5.513 70 H GLN 11 H GLN 11 -11.513 10.498 -3.829 71 HA GLN 11 HA GLN 11 -10.992 8.911 -6.208 72 1HB GLN 11 HB2 GLN 11 -9.219 10.426 -5.322 73 2HB GLN 11 HB1 GLN 11 -9.188 9.453 -3.862 74 1HG GLN 11 HG2 GLN 11 -7.379 8.906 -5.429 75 2HG GLN 11 HG1 GLN 11 -8.446 7.536 -5.112 76 1HE2 GLN 11 HE21 GLN 11 -7.485 9.927 -7.421 77 2HE2 GLN 11 HE22 GLN 11 -8.226 9.206 -8.797 78 H ASN 12 H ASN 12 -10.611 6.777 -5.968 79 HA ASN 12 HA ASN 12 -10.951 5.314 -3.521 80 1HB ASN 12 HB2 ASN 12 -13.329 6.000 -4.022 81 2HB ASN 12 HB1 ASN 12 -13.205 5.121 -5.538 82 1HD2 ASN 12 HD21 ASN 12 -14.943 3.785 -4.940 83 2HD2 ASN 12 HD22 ASN 12 -14.783 2.559 -3.736 84 H LYS 13 H LYS 13 -10.519 5.573 -6.938 85 HA LYS 13 HA LYS 13 -9.936 2.756 -7.279 86 1HB LYS 13 HB2 LYS 13 -9.873 5.055 -9.227 87 2HB LYS 13 HB1 LYS 13 -9.625 3.366 -9.636 88 1HG LYS 13 HG2 LYS 13 -12.140 4.523 -8.471 89 2HG LYS 13 HG1 LYS 13 -11.890 4.172 -10.179 90 1HD LYS 13 HD2 LYS 13 -11.514 1.781 -9.544 91 2HD LYS 13 HD1 LYS 13 -11.939 2.209 -7.887 92 1HE LYS 13 HE2 LYS 13 -13.869 1.275 -9.044 93 2HE LYS 13 HE1 LYS 13 -14.138 2.966 -8.633 94 1HZ LYS 13 HZ1 LYS 13 -13.577 3.554 -10.939 95 2HZ LYS 13 HZ2 LYS 13 -14.888 2.520 -10.856 96 3HZ LYS 13 HZ3 LYS 13 -13.383 1.917 -11.318 97 H LYS 14 H LYS 14 -8.295 5.354 -6.111 98 HA LYS 14 HA LYS 14 -5.726 4.225 -6.804 99 1HB LYS 14 HB2 LYS 14 -6.335 5.969 -8.550 100 2HB LYS 14 HB1 LYS 14 -6.374 7.170 -7.284 101 1HG LYS 14 HG2 LYS 14 -3.897 5.589 -7.902 102 2HG LYS 14 HG1 LYS 14 -4.310 7.036 -8.816 103 1HD LYS 14 HD2 LYS 14 -4.257 8.328 -6.734 104 2HD LYS 14 HD1 LYS 14 -3.869 6.861 -5.841 105 1HE LYS 14 HE2 LYS 14 -1.838 8.079 -6.183 106 2HE LYS 14 HE1 LYS 14 -1.811 6.649 -7.212 107 1HZ LYS 14 HZ1 LYS 14 -2.590 9.347 -8.190 108 2HZ LYS 14 HZ2 LYS 14 -2.215 8.005 -9.137 109 3HZ LYS 14 HZ3 LYS 14 -1.021 8.773 -8.224 110 H VAL 15 H VAL 15 -4.094 4.918 -5.293 111 HA VAL 15 HA VAL 15 -4.878 5.008 -2.617 112 HB VAL 15 HB VAL 15 -2.635 4.362 -3.837 113 1HG1 VAL 15 HG11 VAL 15 -1.879 6.424 -4.660 114 2HG1 VAL 15 HG12 VAL 15 -0.791 5.932 -3.332 115 3HG1 VAL 15 HG13 VAL 15 -2.015 7.159 -3.059 116 1HG2 VAL 15 HG21 VAL 15 -1.401 4.400 -1.729 117 2HG2 VAL 15 HG22 VAL 15 -3.079 3.849 -1.520 118 3HG2 VAL 15 HG23 VAL 15 -2.614 5.495 -1.083 119 H GLU 16 H GLU 16 -5.386 6.757 -1.179 120 HA GLU 16 HA GLU 16 -5.056 9.456 -2.307 121 1HB GLU 16 HB2 GLU 16 -6.662 8.677 0.111 122 2HB GLU 16 HB1 GLU 16 -6.673 10.217 -0.731 123 1HG GLU 16 HG2 GLU 16 -7.561 9.017 -2.701 124 2HG GLU 16 HG1 GLU 16 -7.681 7.587 -1.672 125 H GLY 17 H GLY 17 -5.174 8.404 1.050 126 1HA GLY 17 HA2 GLY 17 -2.515 9.609 1.453 127 2HA GLY 17 HA1 GLY 17 -3.897 10.235 2.352 128 H GLY 18 H GLY 18 -4.057 6.992 1.722 129 1HA GLY 18 HA2 GLY 18 -2.835 6.358 4.306 130 2HA GLY 18 HA1 GLY 18 -4.448 5.762 3.933 131 H TYR 19 H TYR 19 -3.732 3.601 4.166 132 HA TYR 19 HA TYR 19 -1.792 2.734 2.153 133 1HB TYR 19 HB2 TYR 19 -2.715 1.255 4.613 134 2HB TYR 19 HB1 TYR 19 -1.325 0.884 3.594 135 HD1 TYR 19 HD1 TYR 19 -2.203 2.178 6.660 136 HD2 TYR 19 HD2 TYR 19 0.310 3.070 3.348 137 HE1 TYR 19 HE1 TYR 19 -0.878 3.609 8.081 138 HE2 TYR 19 HE2 TYR 19 1.684 4.521 4.779 139 HH TYR 19 HH TYR 19 1.422 4.573 8.164 140 H GLU 20 H GLU 20 -2.650 2.086 0.446 141 HA GLU 20 HA GLU 20 -5.250 0.818 0.350 142 1HB GLU 20 HB2 GLU 20 -4.707 2.407 -1.415 143 2HB GLU 20 HB1 GLU 20 -3.205 1.565 -1.762 144 1HG GLU 20 HG2 GLU 20 -4.663 -0.447 -2.324 145 2HG GLU 20 HG1 GLU 20 -6.011 0.674 -2.306 146 H CYS 21 H CYS 21 -5.320 -1.279 0.604 147 HA CYS 21 HA CYS 21 -3.147 -3.099 0.683 148 1HB CYS 21 HB2 CYS 21 -6.020 -3.573 0.011 149 2HB CYS 21 HB1 CYS 21 -4.867 -4.878 0.273 150 H LYS 22 H LYS 22 -2.221 -4.368 -0.904 151 HA LYS 22 HA LYS 22 -2.739 -3.903 -3.664 152 1HB LYS 22 HB2 LYS 22 -0.500 -4.527 -2.957 153 2HB LYS 22 HB1 LYS 22 -1.089 -5.981 -2.184 154 1HG LYS 22 HG2 LYS 22 -1.436 -5.674 -5.135 155 2HG LYS 22 HG1 LYS 22 0.155 -6.078 -4.495 156 1HD LYS 22 HD2 LYS 22 -0.589 -8.129 -3.646 157 2HD LYS 22 HD1 LYS 22 -2.277 -7.625 -3.673 158 1HE LYS 22 HE2 LYS 22 -1.850 -9.230 -5.426 159 2HE LYS 22 HE1 LYS 22 -2.253 -7.661 -6.103 160 1HZ LYS 22 HZ1 LYS 22 -0.523 -8.588 -7.317 161 2HZ LYS 22 HZ2 LYS 22 0.465 -8.888 -5.980 162 3HZ LYS 22 HZ3 LYS 22 0.150 -7.300 -6.484 163 H TYR 23 H TYR 23 -4.138 -5.843 -1.271 164 HA TYR 23 HA TYR 23 -4.909 -7.974 -3.106 165 1HB TYR 23 HB2 TYR 23 -5.624 -8.294 -0.291 166 2HB TYR 23 HB1 TYR 23 -4.743 -9.376 -1.367 167 HD1 TYR 23 HD1 TYR 23 -4.492 -6.934 1.269 168 HD2 TYR 23 HD2 TYR 23 -2.264 -9.015 -1.684 169 HE1 TYR 23 HE1 TYR 23 -2.426 -6.354 2.443 170 HE2 TYR 23 HE2 TYR 23 -0.188 -8.444 -0.508 171 HH TYR 23 HH TYR 23 -0.120 -7.262 2.641 172 H CYS 24 H CYS 24 -6.129 -5.156 -2.049 173 HA CYS 24 HA CYS 24 -8.759 -5.717 -2.880 174 1HB CYS 24 HB2 CYS 24 -9.951 -5.418 -0.760 175 2HB CYS 24 HB1 CYS 24 -8.786 -6.737 -0.628 176 H THR 25 H THR 25 -9.811 -3.699 -3.292 177 HA THR 25 HA THR 25 -7.960 -1.513 -2.943 178 HB THR 25 HB THR 25 -10.554 -1.498 -4.515 179 HG1 THR 25 HG1 THR 25 -8.352 -2.804 -4.975 180 1HG2 THR 25 HG21 THR 25 -9.706 0.735 -3.883 181 2HG2 THR 25 HG22 THR 25 -9.526 0.467 -5.615 182 3HG2 THR 25 HG23 THR 25 -8.128 0.325 -4.548 183 H PHE 26 H PHE 26 -8.207 -1.433 -0.747 184 HA PHE 26 HA PHE 26 -10.339 0.333 0.123 185 1HB PHE 26 HB2 PHE 26 -9.491 -2.169 1.636 186 2HB PHE 26 HB1 PHE 26 -10.486 -0.889 2.311 187 HD1 PHE 26 HD1 PHE 26 -10.482 -3.986 0.664 188 HD2 PHE 26 HD2 PHE 26 -12.684 -0.380 1.037 189 HE1 PHE 26 HE1 PHE 26 -12.486 -5.130 -0.178 190 HE2 PHE 26 HE2 PHE 26 -14.692 -1.511 0.203 191 HZ PHE 26 HZ PHE 26 -14.591 -3.902 -0.402 192 H GLN 27 H GLN 27 -9.551 1.824 1.581 193 HA GLN 27 HA GLN 27 -6.716 1.530 2.119 194 1HB GLN 27 HB2 GLN 27 -6.770 2.978 0.317 195 2HB GLN 27 HB1 GLN 27 -8.148 3.886 0.961 196 1HG GLN 27 HG2 GLN 27 -6.776 4.867 2.627 197 2HG GLN 27 HG1 GLN 27 -5.470 3.739 2.245 198 1HE2 GLN 27 HE21 GLN 27 -4.319 4.057 0.644 199 2HE2 GLN 27 HE22 GLN 27 -4.187 5.459 -0.350 200 H THR 28 H THR 28 -6.040 2.074 4.047 201 HA THR 28 HA THR 28 -7.620 3.891 5.618 202 HB THR 28 HB THR 28 -8.246 1.643 6.500 203 HG1 THR 28 HG1 THR 28 -8.293 2.666 8.315 204 1HG2 THR 28 HG21 THR 28 -6.141 0.439 5.927 205 2HG2 THR 28 HG22 THR 28 -6.604 0.237 7.622 206 3HG2 THR 28 HG23 THR 28 -5.325 1.353 7.204 207 HA PRO 29 HA PRO 29 -3.461 5.558 5.950 208 1HB PRO 29 HB2 PRO 29 -4.138 7.697 7.499 209 2HB PRO 29 HB1 PRO 29 -4.378 7.648 5.746 210 1HG PRO 29 HG2 PRO 29 -6.333 7.154 7.945 211 2HG PRO 29 HG1 PRO 29 -6.548 8.061 6.430 212 1HD PRO 29 HD2 PRO 29 -7.471 5.532 6.757 213 2HD PRO 29 HD1 PRO 29 -6.876 6.115 5.184 214 H ASP 30 H ASP 30 -5.251 4.037 8.243 215 HA ASP 30 HA ASP 30 -3.475 4.622 10.490 216 1HB ASP 30 HB2 ASP 30 -6.150 3.931 10.397 217 2HB ASP 30 HB1 ASP 30 -5.343 2.424 10.519 218 H LEU 31 H LEU 31 -1.627 3.460 10.528 219 HA LEU 31 HA LEU 31 -1.179 1.214 8.997 220 1HB LEU 31 HB2 LEU 31 0.383 2.844 10.315 221 2HB LEU 31 HB1 LEU 31 0.259 1.645 11.580 222 HG LEU 31 HG LEU 31 2.292 1.207 10.398 223 1HD1 LEU 31 HD11 LEU 31 1.091 -0.827 10.927 224 2HD1 LEU 31 HD12 LEU 31 1.952 -1.014 9.386 225 3HD1 LEU 31 HD13 LEU 31 0.211 -0.679 9.413 226 1HD2 LEU 31 HD21 LEU 31 2.382 0.890 7.985 227 2HD2 LEU 31 HD22 LEU 31 1.788 2.502 8.448 228 3HD2 LEU 31 HD23 LEU 31 0.652 1.272 7.911 229 H ASN 32 H ASN 32 -2.352 1.559 12.399 230 HA ASN 32 HA ASN 32 -2.057 -1.114 13.121 231 1HB ASN 32 HB2 ASN 32 -2.587 0.833 14.680 232 2HB ASN 32 HB1 ASN 32 -4.205 0.749 13.931 233 1HD2 ASN 32 HD21 ASN 32 -5.615 -0.849 14.472 234 2HD2 ASN 32 HD22 ASN 32 -5.260 -1.989 15.707 235 H MET 33 H MET 33 -4.681 0.758 11.736 236 HA MET 33 HA MET 33 -6.489 -1.454 11.705 237 1HB MET 33 HB2 MET 33 -6.674 1.004 9.953 238 2HB MET 33 HB1 MET 33 -7.950 -0.139 10.310 239 1HG MET 33 HG2 MET 33 -6.614 1.683 12.247 240 2HG MET 33 HG1 MET 33 -8.219 1.926 11.558 241 1HE MET 33 HE1 MET 33 -7.806 2.114 14.643 242 2HE MET 33 HE2 MET 33 -9.125 1.114 15.256 243 3HE MET 33 HE3 MET 33 -9.397 2.185 13.882 244 H PHE 34 H PHE 34 -4.264 -0.032 9.414 245 HA PHE 34 HA PHE 34 -4.968 -1.638 7.231 246 1HB PHE 34 HB2 PHE 34 -3.518 0.237 6.842 247 2HB PHE 34 HB1 PHE 34 -2.329 -0.354 7.966 248 HD1 PHE 34 HD1 PHE 34 -3.925 -1.121 4.630 249 HD2 PHE 34 HD2 PHE 34 -0.661 -1.832 7.310 250 HE1 PHE 34 HE1 PHE 34 -2.756 -2.333 2.875 251 HE2 PHE 34 HE2 PHE 34 0.520 -3.056 5.512 252 HZ PHE 34 HZ PHE 34 -0.543 -3.304 3.297 253 H THR 35 H THR 35 -2.402 -2.158 9.621 254 HA THR 35 HA THR 35 -1.759 -4.666 8.491 255 HB THR 35 HB THR 35 -0.006 -3.421 9.671 256 HG1 THR 35 HG1 THR 35 -0.283 -5.654 11.314 257 1HG2 THR 35 HG21 THR 35 -1.597 -3.972 12.176 258 2HG2 THR 35 HG22 THR 35 -1.308 -2.406 11.399 259 3HG2 THR 35 HG23 THR 35 0.040 -3.290 12.122 260 H PHE 36 H PHE 36 -3.994 -3.654 10.888 261 HA PHE 36 HA PHE 36 -4.570 -6.200 11.977 262 1HB PHE 36 HB2 PHE 36 -5.424 -4.377 13.213 263 2HB PHE 36 HB1 PHE 36 -6.134 -3.605 11.825 264 HD1 PHE 36 HD1 PHE 36 -8.405 -3.908 11.425 265 HD2 PHE 36 HD2 PHE 36 -6.341 -6.731 13.821 266 HE1 PHE 36 HE1 PHE 36 -10.549 -5.026 11.933 267 HE2 PHE 36 HE2 PHE 36 -8.483 -7.858 14.358 268 HZ PHE 36 HZ PHE 36 -10.581 -7.004 13.401 269 H HIS 37 H HIS 37 -6.169 -4.274 9.495 270 HA HIS 37 HA HIS 37 -7.974 -6.176 8.606 271 1HB HIS 37 HB2 HIS 37 -8.381 -3.958 8.023 272 2HB HIS 37 HB1 HIS 37 -6.745 -3.677 7.490 273 HD1 HIS 37 HD1 HIS 37 -10.100 -4.906 6.323 274 HD2 HIS 37 HD2 HIS 37 -6.273 -4.296 4.841 275 HE1 HIS 37 HE1 HIS 37 -10.329 -4.916 3.816 276 H VAL 38 H VAL 38 -4.624 -5.688 7.828 277 HA VAL 38 HA VAL 38 -4.598 -7.591 5.727 278 HB VAL 38 HB VAL 38 -2.411 -6.332 7.340 279 1HG1 VAL 38 HG11 VAL 38 -1.658 -8.574 6.600 280 2HG1 VAL 38 HG12 VAL 38 -0.800 -7.322 5.699 281 3HG1 VAL 38 HG13 VAL 38 -2.135 -8.193 4.942 282 1HG2 VAL 38 HG21 VAL 38 -3.270 -6.002 4.478 283 2HG2 VAL 38 HG22 VAL 38 -1.896 -5.179 5.223 284 3HG2 VAL 38 HG23 VAL 38 -3.537 -4.867 5.798 285 H ASP 39 H ASP 39 -3.565 -7.753 9.149 286 HA ASP 39 HA ASP 39 -2.733 -10.463 8.823 287 1HB ASP 39 HB2 ASP 39 -1.928 -8.876 10.602 288 2HB ASP 39 HB1 ASP 39 -3.478 -9.097 11.412 289 H SER 40 H SER 40 -5.710 -8.955 9.431 290 HA SER 40 HA SER 40 -7.019 -11.331 10.410 291 1HB SER 40 HB2 SER 40 -7.691 -9.077 11.181 292 2HB SER 40 HB1 SER 40 -8.181 -8.672 9.547 293 HG SER 40 HG SER 40 -9.802 -10.224 9.656 294 H GLU 41 H GLU 41 -7.052 -9.398 7.376 295 HA GLU 41 HA GLU 41 -8.897 -11.419 6.296 296 1HB GLU 41 HB2 GLU 41 -8.454 -8.607 5.309 297 2HB GLU 41 HB1 GLU 41 -9.676 -9.735 4.746 298 1HG GLU 41 HG2 GLU 41 -9.456 -8.568 7.484 299 2HG GLU 41 HG1 GLU 41 -10.634 -8.091 6.258 300 H HIS 42 H HIS 42 -5.736 -10.188 5.923 301 HA HIS 42 HA HIS 42 -5.402 -11.832 3.498 302 1HB HIS 42 HB2 HIS 42 -3.872 -9.247 3.765 303 2HB HIS 42 HB1 HIS 42 -4.206 -10.209 2.339 304 HD1 HIS 42 HD1 HIS 42 -6.901 -9.977 1.537 305 HD2 HIS 42 HD2 HIS 42 -5.289 -6.993 3.945 306 HE1 HIS 42 HE1 HIS 42 -8.372 -7.955 1.226 307 HA PRO 43 HA PRO 43 -2.327 -12.170 7.181 308 1HB PRO 43 HB2 PRO 43 -2.583 -14.850 7.638 309 2HB PRO 43 HB1 PRO 43 -3.633 -13.615 8.362 310 1HG PRO 43 HG2 PRO 43 -4.130 -15.255 5.886 311 2HG PRO 43 HG1 PRO 43 -5.212 -15.005 7.272 312 1HD PRO 43 HD2 PRO 43 -5.517 -13.588 5.065 313 2HD PRO 43 HD1 PRO 43 -5.674 -12.828 6.661 314 H ASN 44 H ASN 44 -2.779 -14.289 4.433 315 HA ASN 44 HA ASN 44 0.117 -14.417 3.994 316 1HB ASN 44 HB2 ASN 44 -0.355 -16.558 4.991 317 2HB ASN 44 HB1 ASN 44 -1.800 -16.743 4.004 318 1HD2 ASN 44 HD21 ASN 44 1.681 -16.798 3.971 319 2HD2 ASN 44 HD22 ASN 44 1.851 -17.721 2.531 320 H VAL 45 H VAL 45 0.436 -13.516 2.104 321 HA VAL 45 HA VAL 45 -1.613 -13.953 0.079 322 HB VAL 45 HB VAL 45 -0.985 -11.644 -0.810 323 1HG1 VAL 45 HG11 VAL 45 -2.579 -10.568 0.703 324 2HG1 VAL 45 HG12 VAL 45 -2.409 -11.932 1.824 325 3HG1 VAL 45 HG13 VAL 45 -3.098 -12.186 0.216 326 1HG2 VAL 45 HG21 VAL 45 -0.199 -10.046 0.904 327 2HG2 VAL 45 HG22 VAL 45 1.016 -11.273 0.539 328 3HG2 VAL 45 HG23 VAL 45 0.059 -11.392 2.016 329 H VAL 46 H VAL 46 -0.942 -14.963 -1.587 330 HA VAL 46 HA VAL 46 1.745 -14.375 -2.451 331 HB VAL 46 HB VAL 46 0.373 -17.083 -2.754 332 1HG1 VAL 46 HG11 VAL 46 3.150 -16.231 -3.552 333 2HG1 VAL 46 HG12 VAL 46 1.819 -16.614 -4.642 334 3HG1 VAL 46 HG13 VAL 46 2.524 -17.878 -3.631 335 1HG2 VAL 46 HG21 VAL 46 1.107 -16.709 -0.450 336 2HG2 VAL 46 HG22 VAL 46 2.728 -16.309 -1.021 337 3HG2 VAL 46 HG23 VAL 46 2.100 -17.943 -1.225 338 H LEU 47 H LEU 47 1.046 -12.814 -3.867 339 HA LEU 47 HA LEU 47 -0.668 -13.710 -6.077 340 1HB LEU 47 HB2 LEU 47 -0.600 -11.038 -4.677 341 2HB LEU 47 HB1 LEU 47 -1.296 -11.238 -6.260 342 HG LEU 47 HG LEU 47 -3.089 -11.178 -4.777 343 1HD1 LEU 47 HD11 LEU 47 -3.383 -12.843 -6.443 344 2HD1 LEU 47 HD12 LEU 47 -4.177 -13.325 -4.945 345 3HD1 LEU 47 HD13 LEU 47 -2.648 -14.068 -5.408 346 1HD2 LEU 47 HD21 LEU 47 -1.959 -11.515 -2.676 347 2HD2 LEU 47 HD22 LEU 47 -1.694 -13.218 -3.049 348 3HD2 LEU 47 HD23 LEU 47 -3.334 -12.613 -2.789 349 H ASN 48 H ASN 48 -0.354 -11.421 -7.714 350 HA ASN 48 HA ASN 48 2.130 -12.023 -8.971 351 1HB ASN 48 HB2 ASN 48 0.235 -9.730 -9.590 352 2HB ASN 48 HB1 ASN 48 1.513 -10.327 -10.637 353 1HD2 ASN 48 HD21 ASN 48 1.244 -12.418 -11.626 354 2HD2 ASN 48 HD22 ASN 48 -0.330 -13.081 -11.775 355 H SER 49 H SER 49 3.012 -9.436 -9.919 356 HA SER 49 HA SER 49 4.609 -8.879 -7.589 357 1HB SER 49 HB2 SER 49 6.033 -7.674 -9.290 358 2HB SER 49 HB1 SER 49 5.837 -9.406 -9.569 359 HG SER 49 HG SER 49 5.030 -8.945 -11.405 360 H SER 50 H SER 50 4.874 -6.859 -6.704 361 HA SER 50 HA SER 50 3.403 -4.577 -7.471 362 1HB SER 50 HB2 SER 50 2.726 -6.278 -5.079 363 2HB SER 50 HB1 SER 50 2.130 -4.652 -5.351 364 HG SER 50 HG SER 50 1.640 -6.033 -7.535 365 H TYR 51 H TYR 51 3.734 -3.039 -5.510 366 HA TYR 51 HA TYR 51 6.448 -3.486 -4.519 367 1HB TYR 51 HB2 TYR 51 5.026 -1.015 -5.394 368 2HB TYR 51 HB1 TYR 51 6.439 -0.963 -4.350 369 HD1 TYR 51 HD1 TYR 51 6.271 -3.380 -7.125 370 HD2 TYR 51 HD2 TYR 51 7.576 0.473 -5.902 371 HE1 TYR 51 HE1 TYR 51 7.659 -3.234 -9.138 372 HE2 TYR 51 HE2 TYR 51 9.002 0.627 -7.924 373 HH TYR 51 HH TYR 51 8.594 -1.489 -10.505 374 H VAL 52 H VAL 52 6.839 -2.842 -2.438 375 HA VAL 52 HA VAL 52 4.525 -2.091 -0.815 376 HB VAL 52 HB VAL 52 4.943 -4.525 -0.488 377 1HG1 VAL 52 HG11 VAL 52 7.286 -4.530 -1.016 378 2HG1 VAL 52 HG12 VAL 52 6.908 -5.344 0.490 379 3HG1 VAL 52 HG13 VAL 52 7.616 -3.718 0.525 380 1HG2 VAL 52 HG21 VAL 52 5.225 -4.610 1.920 381 2HG2 VAL 52 HG22 VAL 52 4.131 -3.315 1.440 382 3HG2 VAL 52 HG23 VAL 52 5.788 -2.939 1.915 383 H CYS 53 H CYS 53 4.945 -0.579 0.662 384 HA CYS 53 HA CYS 53 7.460 0.810 0.648 385 1HB CYS 53 HB2 CYS 53 5.589 2.129 0.779 386 2HB CYS 53 HB1 CYS 53 4.731 0.942 1.826 387 H VAL 54 H VAL 54 9.005 -0.480 1.652 388 HA VAL 54 HA VAL 54 8.511 -2.412 3.601 389 HB VAL 54 HB VAL 54 11.081 -1.224 3.978 390 1HG1 VAL 54 HG11 VAL 54 10.527 -3.492 4.491 391 2HG1 VAL 54 HG12 VAL 54 11.863 -3.339 3.309 392 3HG1 VAL 54 HG13 VAL 54 10.229 -3.743 2.752 393 1HG2 VAL 54 HG21 VAL 54 11.938 -1.751 1.692 394 2HG2 VAL 54 HG22 VAL 54 10.958 -0.303 1.904 395 3HG2 VAL 54 HG23 VAL 54 10.242 -1.701 1.161 396 H GLU 55 H GLU 55 8.848 1.000 3.829 397 HA GLU 55 HA GLU 55 9.767 1.068 6.531 398 1HB GLU 55 HB2 GLU 55 8.054 3.085 5.267 399 2HB GLU 55 HB1 GLU 55 9.333 3.436 6.480 400 1HG GLU 55 HG2 GLU 55 10.406 4.163 4.546 401 2HG GLU 55 HG1 GLU 55 10.460 2.445 4.076 402 H CYS 56 H CYS 56 6.725 1.124 4.869 403 HA CYS 56 HA CYS 56 5.317 1.297 7.461 404 1HB CYS 56 HB2 CYS 56 4.227 1.575 4.692 405 2HB CYS 56 HB1 CYS 56 3.435 2.073 6.183 406 H ASN 57 H ASN 57 6.223 -0.881 5.153 407 HA ASN 57 HA ASN 57 5.751 -2.960 4.519 408 1HB ASN 57 HB2 ASN 57 4.957 -2.857 7.341 409 2HB ASN 57 HB1 ASN 57 4.627 -4.378 6.461 410 1HD2 ASN 57 HD21 ASN 57 7.005 -4.243 4.827 411 2HD2 ASN 57 HD22 ASN 57 8.311 -4.559 5.893 412 H PHE 58 H PHE 58 4.226 -1.424 3.292 413 HA PHE 58 HA PHE 58 1.564 -2.633 3.400 414 1HB PHE 58 HB2 PHE 58 0.431 -0.668 3.607 415 2HB PHE 58 HB1 PHE 58 1.959 0.013 4.125 416 HD1 PHE 58 HD1 PHE 58 3.145 1.546 2.693 417 HD2 PHE 58 HD2 PHE 58 -0.433 -0.279 1.379 418 HE1 PHE 58 HE1 PHE 58 2.993 3.202 0.814 419 HE2 PHE 58 HE2 PHE 58 -0.616 1.380 -0.464 420 HZ PHE 58 HZ PHE 58 1.100 3.103 -0.738 421 H LEU 59 H LEU 59 0.951 -3.523 1.680 422 HA LEU 59 HA LEU 59 2.541 -3.214 -0.723 423 1HB LEU 59 HB2 LEU 59 1.005 -5.335 0.518 424 2HB LEU 59 HB1 LEU 59 0.645 -5.152 -1.183 425 HG LEU 59 HG LEU 59 3.383 -5.592 -0.040 426 1HD1 LEU 59 HD11 LEU 59 1.880 -7.504 0.282 427 2HD1 LEU 59 HD12 LEU 59 3.114 -7.879 -0.920 428 3HD1 LEU 59 HD13 LEU 59 1.470 -7.459 -1.430 429 1HD2 LEU 59 HD21 LEU 59 3.967 -6.082 -2.416 430 2HD2 LEU 59 HD22 LEU 59 3.452 -4.426 -2.191 431 3HD2 LEU 59 HD23 LEU 59 2.353 -5.587 -2.905 432 H THR 60 H THR 60 1.720 -2.259 -2.463 433 HA THR 60 HA THR 60 -1.153 -1.853 -2.565 434 HB THR 60 HB THR 60 -0.339 0.305 -2.062 435 HG1 THR 60 HG1 THR 60 -1.685 0.712 -3.778 436 1HG2 THR 60 HG21 THR 60 2.040 -0.265 -2.397 437 2HG2 THR 60 HG22 THR 60 1.648 1.323 -2.984 438 3HG2 THR 60 HG23 THR 60 1.852 -0.006 -4.131 439 H LYS 61 H LYS 61 -1.950 -1.705 -4.706 440 HA LYS 61 HA LYS 61 -0.551 -3.622 -6.395 441 1HB LYS 61 HB2 LYS 61 -2.783 -3.857 -7.503 442 2HB LYS 61 HB1 LYS 61 -2.745 -4.319 -5.815 443 1HG LYS 61 HG2 LYS 61 -3.697 -2.091 -5.242 444 2HG LYS 61 HG1 LYS 61 -3.865 -1.780 -6.969 445 1HD LYS 61 HD2 LYS 61 -5.083 -4.122 -5.522 446 2HD LYS 61 HD1 LYS 61 -5.953 -2.639 -5.881 447 1HE LYS 61 HE2 LYS 61 -4.776 -4.592 -7.872 448 2HE LYS 61 HE1 LYS 61 -6.480 -4.331 -7.500 449 1HZ LYS 61 HZ1 LYS 61 -6.064 -3.167 -9.474 450 2HZ LYS 61 HZ2 LYS 61 -4.629 -2.535 -8.936 451 3HZ LYS 61 HZ3 LYS 61 -6.069 -1.944 -8.307 452 H ARG 62 H ARG 62 0.064 -0.743 -6.241 453 HA ARG 62 HA ARG 62 0.143 -0.307 -9.111 454 1HB ARG 62 HB2 ARG 62 -0.570 1.979 -8.949 455 2HB ARG 62 HB1 ARG 62 -1.801 0.998 -8.175 456 1HG ARG 62 HG2 ARG 62 -0.733 1.559 -5.975 457 2HG ARG 62 HG1 ARG 62 0.282 2.705 -6.856 458 1HD ARG 62 HD2 ARG 62 -1.582 3.902 -5.955 459 2HD ARG 62 HD1 ARG 62 -1.798 3.797 -7.693 460 HE ARG 62 HE ARG 62 -3.185 2.125 -5.702 461 1HH1 ARG 62 HH11 ARG 62 -3.103 3.565 -8.997 462 2HH1 ARG 62 HH12 ARG 62 -4.699 3.089 -9.317 463 1HH2 ARG 62 HH21 ARG 62 -5.324 1.615 -6.191 464 2HH2 ARG 62 HH22 ARG 62 -6.012 2.037 -7.699 465 H TYR 63 H TYR 63 1.859 1.262 -9.601 466 HA TYR 63 HA TYR 63 4.065 0.938 -7.748 467 1HB TYR 63 HB2 TYR 63 5.443 1.888 -9.582 468 2HB TYR 63 HB1 TYR 63 4.484 0.518 -10.115 469 HD1 TYR 63 HD1 TYR 63 5.100 4.085 -10.502 470 HD2 TYR 63 HD2 TYR 63 2.530 0.884 -11.615 471 HE1 TYR 63 HE1 TYR 63 4.223 5.439 -12.353 472 HE2 TYR 63 HE2 TYR 63 1.643 2.237 -13.468 473 HH TYR 63 HH TYR 63 1.435 4.692 -14.003 474 H ASP 64 H ASP 64 1.846 3.314 -8.787 475 HA ASP 64 HA ASP 64 3.177 5.718 -8.341 476 1HB ASP 64 HB2 ASP 64 0.245 5.179 -7.901 477 2HB ASP 64 HB1 ASP 64 0.988 6.747 -8.165 478 H ALA 65 H ALA 65 1.353 3.780 -6.054 479 HA ALA 65 HA ALA 65 1.100 5.773 -4.117 480 1HB ALA 65 HB1 ALA 65 1.054 2.796 -3.899 481 2HB ALA 65 HB2 ALA 65 -0.330 3.874 -4.071 482 3HB ALA 65 HB3 ALA 65 0.612 3.879 -2.582 483 H LEU 66 H LEU 66 3.717 3.719 -4.873 484 HA LEU 66 HA LEU 66 5.133 4.162 -2.389 485 1HB LEU 66 HB2 LEU 66 6.190 3.045 -4.957 486 2HB LEU 66 HB1 LEU 66 6.978 2.974 -3.392 487 HG LEU 66 HG LEU 66 6.162 0.846 -3.725 488 1HD1 LEU 66 HD11 LEU 66 4.440 0.497 -2.052 489 2HD1 LEU 66 HD12 LEU 66 4.074 2.218 -2.084 490 3HD1 LEU 66 HD13 LEU 66 5.651 1.667 -1.505 491 1HD2 LEU 66 HD21 LEU 66 3.883 0.316 -4.445 492 2HD2 LEU 66 HD22 LEU 66 4.754 1.281 -5.643 493 3HD2 LEU 66 HD23 LEU 66 3.547 2.036 -4.610 494 H SER 67 H SER 67 5.114 5.385 -5.645 495 HA SER 67 HA SER 67 7.568 6.890 -5.500 496 1HB SER 67 HB2 SER 67 5.200 6.669 -7.240 497 2HB SER 67 HB1 SER 67 6.399 7.910 -7.582 498 HG SER 67 HG SER 67 7.750 5.719 -7.274 499 H GLU 68 H GLU 68 4.175 7.630 -5.357 500 HA GLU 68 HA GLU 68 4.646 10.376 -4.779 501 1HB GLU 68 HB2 GLU 68 2.051 9.235 -4.010 502 2HB GLU 68 HB1 GLU 68 2.453 10.686 -4.919 503 1HG GLU 68 HG2 GLU 68 3.045 9.178 -6.846 504 2HG GLU 68 HG1 GLU 68 2.412 7.890 -5.902 505 H HIS 69 H HIS 69 4.544 7.516 -3.020 506 HA HIS 69 HA HIS 69 3.464 8.066 -0.569 507 1HB HIS 69 HB2 HIS 69 4.629 5.940 -1.385 508 2HB HIS 69 HB1 HIS 69 6.106 6.687 -0.747 509 HD1 HIS 69 HD1 HIS 69 2.670 5.620 0.479 510 HD2 HIS 69 HD2 HIS 69 6.555 6.121 1.753 511 HE1 HIS 69 HE1 HIS 69 2.724 4.768 2.854 512 H ASN 70 H ASN 70 6.947 8.574 -1.228 513 HA ASN 70 HA ASN 70 7.353 10.174 1.131 514 1HB ASN 70 HB2 ASN 70 9.561 10.664 0.120 515 2HB ASN 70 HB1 ASN 70 9.231 8.952 0.274 516 1HD2 ASN 70 HD21 ASN 70 11.065 10.022 -1.326 517 2HD2 ASN 70 HD22 ASN 70 10.642 9.665 -3.013 518 H LEU 71 H LEU 71 6.041 10.913 -1.794 519 HA LEU 71 HA LEU 71 6.715 13.699 -1.783 520 1HB LEU 71 HB2 LEU 71 6.328 12.915 -3.930 521 2HB LEU 71 HB1 LEU 71 5.036 11.859 -3.420 522 HG LEU 71 HG LEU 71 3.520 13.706 -3.301 523 1HD1 LEU 71 HD11 LEU 71 4.186 15.959 -4.192 524 2HD1 LEU 71 HD12 LEU 71 5.847 15.385 -4.351 525 3HD1 LEU 71 HD13 LEU 71 5.120 15.541 -2.754 526 1HD2 LEU 71 HD21 LEU 71 3.690 12.508 -5.372 527 2HD2 LEU 71 HD22 LEU 71 5.011 13.544 -5.910 528 3HD2 LEU 71 HD23 LEU 71 3.392 14.212 -5.715 529 H LYS 72 H LYS 72 3.845 11.773 -1.044 530 HA LYS 72 HA LYS 72 2.703 14.139 0.244 531 1HB LYS 72 HB2 LYS 72 0.567 12.427 -0.075 532 2HB LYS 72 HB1 LYS 72 0.923 13.819 -1.115 533 1HG LYS 72 HG2 LYS 72 2.349 12.120 -2.422 534 2HG LYS 72 HG1 LYS 72 1.507 10.891 -1.523 535 1HD LYS 72 HD2 LYS 72 0.225 12.967 -3.287 536 2HD LYS 72 HD1 LYS 72 0.494 11.272 -3.690 537 1HE LYS 72 HE2 LYS 72 -1.024 10.638 -1.815 538 2HE LYS 72 HE1 LYS 72 -1.320 12.340 -1.522 539 1HZ LYS 72 HZ1 LYS 72 -2.299 12.540 -3.705 540 2HZ LYS 72 HZ2 LYS 72 -3.050 11.262 -2.901 541 3HZ LYS 72 HZ3 LYS 72 -1.912 10.960 -4.079 542 H TYR 73 H TYR 73 3.254 10.824 0.699 543 HA TYR 73 HA TYR 73 1.932 10.638 3.279 544 1HB TYR 73 HB2 TYR 73 3.619 8.672 1.753 545 2HB TYR 73 HB1 TYR 73 2.817 8.295 3.276 546 HD1 TYR 73 HD1 TYR 73 0.966 6.993 3.016 547 HD2 TYR 73 HD2 TYR 73 1.829 9.821 -0.043 548 HE1 TYR 73 HE1 TYR 73 -1.003 6.291 1.762 549 HE2 TYR 73 HE2 TYR 73 -0.100 9.115 -1.261 550 HH TYR 73 HH TYR 73 -2.474 7.293 0.169 551 H HIS 74 H HIS 74 5.334 10.136 2.145 552 HA HIS 74 HA HIS 74 6.202 10.940 4.869 553 1HB HIS 74 HB2 HIS 74 7.617 9.213 2.844 554 2HB HIS 74 HB1 HIS 74 8.367 9.730 4.333 555 HD1 HIS 74 HD1 HIS 74 5.755 8.920 6.181 556 HD2 HIS 74 HD2 HIS 74 7.692 6.695 3.278 557 HE1 HIS 74 HE1 HIS 74 5.202 6.526 6.663 558 HA PRO 75 HA PRO 75 7.618 14.170 1.836 559 1HB PRO 75 HB2 PRO 75 6.782 16.337 3.191 560 2HB PRO 75 HB1 PRO 75 5.683 15.383 2.180 561 1HG PRO 75 HG2 PRO 75 6.079 15.252 5.153 562 2HG PRO 75 HG1 PRO 75 4.565 15.305 4.225 563 1HD PRO 75 HD2 PRO 75 5.609 12.968 5.154 564 2HD PRO 75 HD1 PRO 75 4.694 13.096 3.635 565 H GLY 76 H GLY 76 9.406 15.314 1.840 566 1HA GLY 76 HA2 GLY 76 10.747 16.674 3.711 567 2HA GLY 76 HA1 GLY 76 11.200 15.019 4.088 568 H GLU 77 H GLU 77 11.169 13.992 1.484 569 HA GLU 77 HA GLU 77 12.779 15.478 -0.296 570 1HB GLU 77 HB2 GLU 77 14.783 14.050 -0.155 571 2HB GLU 77 HB1 GLU 77 14.538 14.945 1.337 572 1HG GLU 77 HG2 GLU 77 13.607 12.962 2.394 573 2HG GLU 77 HG1 GLU 77 13.795 12.069 0.887 574 H GLU 78 H GLU 78 13.570 13.793 -2.032 575 HA GLU 78 HA GLU 78 11.568 11.669 -2.122 576 1HB GLU 78 HB2 GLU 78 11.025 13.618 -3.579 577 2HB GLU 78 HB1 GLU 78 12.578 13.310 -4.372 578 1HG GLU 78 HG2 GLU 78 11.851 11.232 -5.183 579 2HG GLU 78 HG1 GLU 78 10.375 11.281 -4.216 580 H ASN 79 H ASN 79 13.000 10.089 -1.496 581 HA ASN 79 HA ASN 79 14.964 9.217 -3.451 582 1HB ASN 79 HB2 ASN 79 15.773 9.822 -0.574 583 2HB ASN 79 HB1 ASN 79 16.783 9.005 -1.758 584 1HD2 ASN 79 HD21 ASN 79 15.373 11.924 -0.776 585 2HD2 ASN 79 HD22 ASN 79 16.199 13.030 -1.833 586 H PHE 80 H PHE 80 13.697 7.414 -3.676 587 HA PHE 80 HA PHE 80 13.449 5.655 -1.328 588 1HB PHE 80 HB2 PHE 80 11.685 6.236 -3.598 589 2HB PHE 80 HB1 PHE 80 11.976 4.526 -3.372 590 HD1 PHE 80 HD1 PHE 80 10.098 7.352 -2.328 591 HD2 PHE 80 HD2 PHE 80 11.476 3.542 -0.987 592 HE1 PHE 80 HE1 PHE 80 8.269 7.241 -0.650 593 HE2 PHE 80 HE2 PHE 80 9.660 3.437 0.569 594 HZ PHE 80 HZ PHE 80 8.046 5.261 0.755 595 H LYS 81 H LYS 81 14.042 3.484 -1.611 596 HA LYS 81 HA LYS 81 15.807 2.964 -3.914 597 1HB LYS 81 HB2 LYS 81 17.362 2.061 -2.452 598 2HB LYS 81 HB1 LYS 81 16.507 3.130 -1.328 599 1HG LYS 81 HG2 LYS 81 15.182 1.371 -0.497 600 2HG LYS 81 HG1 LYS 81 15.762 0.268 -1.732 601 1HD LYS 81 HD2 LYS 81 18.094 0.729 -0.750 602 2HD LYS 81 HD1 LYS 81 17.163 1.337 0.637 603 1HE LYS 81 HE2 LYS 81 16.021 -0.767 0.870 604 2HE LYS 81 HE1 LYS 81 16.783 -1.366 -0.603 605 1HZ LYS 81 HZ1 LYS 81 17.861 -2.245 1.364 606 2HZ LYS 81 HZ2 LYS 81 18.203 -0.701 1.923 607 3HZ LYS 81 HZ3 LYS 81 18.922 -1.260 0.516 608 H LEU 82 H LEU 82 15.832 0.470 -4.358 609 HA LEU 82 HA LEU 82 13.262 -0.659 -3.609 610 1HB LEU 82 HB2 LEU 82 13.030 -1.696 -5.838 611 2HB LEU 82 HB1 LEU 82 12.948 0.046 -5.890 612 HG LEU 82 HG LEU 82 15.493 -1.407 -6.554 613 1HD1 LEU 82 HD11 LEU 82 13.204 -0.693 -8.420 614 2HD1 LEU 82 HD12 LEU 82 13.700 -2.329 -7.982 615 3HD1 LEU 82 HD13 LEU 82 14.778 -1.305 -8.928 616 1HD2 LEU 82 HD21 LEU 82 15.938 0.599 -7.890 617 2HD2 LEU 82 HD22 LEU 82 15.606 1.035 -6.211 618 3HD2 LEU 82 HD23 LEU 82 14.369 1.260 -7.442 619 H THR 83 H THR 83 13.277 -2.700 -2.977 620 HA THR 83 HA THR 83 15.593 -4.326 -3.488 621 HB THR 83 HB THR 83 16.173 -3.293 -1.406 622 HG1 THR 83 HG1 THR 83 15.377 -5.535 -0.115 623 1HG2 THR 83 HG21 THR 83 14.789 -3.318 0.614 624 2HG2 THR 83 HG22 THR 83 13.531 -4.179 -0.269 625 3HG2 THR 83 HG23 THR 83 13.933 -2.519 -0.719 626 H MET 84 H MET 84 14.707 -6.333 -4.177 627 HA MET 84 HA MET 84 11.836 -6.690 -3.543 628 1HB MET 84 HB2 MET 84 12.666 -6.839 -5.891 629 2HB MET 84 HB1 MET 84 13.662 -8.196 -5.386 630 1HG MET 84 HG2 MET 84 11.583 -9.438 -4.832 631 2HG MET 84 HG1 MET 84 10.656 -8.099 -5.509 632 1HE MET 84 HE1 MET 84 10.228 -11.016 -6.666 633 2HE MET 84 HE2 MET 84 10.261 -10.687 -8.397 634 3HE MET 84 HE3 MET 84 9.434 -9.577 -7.303 635 H VAL 85 H VAL 85 11.729 -7.577 -1.557 636 HA VAL 85 HA VAL 85 12.586 -10.281 -1.323 637 HB VAL 85 HB VAL 85 13.304 -9.663 1.188 638 1HG1 VAL 85 HG11 VAL 85 15.127 -9.259 -1.186 639 2HG1 VAL 85 HG12 VAL 85 14.773 -10.802 -0.405 640 3HG1 VAL 85 HG13 VAL 85 15.667 -9.552 0.467 641 1HG2 VAL 85 HG21 VAL 85 14.048 -7.154 -0.339 642 2HG2 VAL 85 HG22 VAL 85 14.570 -7.548 1.298 643 3HG2 VAL 85 HG23 VAL 85 12.861 -7.251 0.961 644 H LYS 86 H LYS 86 10.494 -11.167 -0.934 645 HA LYS 86 HA LYS 86 9.279 -9.984 1.435 646 1HB LYS 86 HB2 LYS 86 8.155 -9.156 -0.732 647 2HB LYS 86 HB1 LYS 86 7.482 -10.795 -0.848 648 1HG LYS 86 HG2 LYS 86 5.869 -9.449 0.026 649 2HG LYS 86 HG1 LYS 86 6.436 -10.437 1.371 650 1HD LYS 86 HD2 LYS 86 7.717 -8.601 2.290 651 2HD LYS 86 HD1 LYS 86 7.498 -7.621 0.853 652 1HE LYS 86 HE2 LYS 86 5.898 -6.644 2.309 653 2HE LYS 86 HE1 LYS 86 4.983 -7.849 1.434 654 1HZ LYS 86 HZ1 LYS 86 6.157 -8.240 4.106 655 2HZ LYS 86 HZ2 LYS 86 5.280 -9.416 3.318 656 3HZ LYS 86 HZ3 LYS 86 4.532 -7.982 3.821 657 H ARG 87 H ARG 87 9.015 -11.493 2.865 658 HA ARG 87 HA ARG 87 9.404 -14.165 1.820 659 1HB ARG 87 HB2 ARG 87 10.264 -13.025 4.479 660 2HB ARG 87 HB1 ARG 87 10.488 -14.696 3.977 661 1HG ARG 87 HG2 ARG 87 12.594 -13.696 3.529 662 2HG ARG 87 HG1 ARG 87 11.751 -13.745 1.978 663 1HD ARG 87 HD2 ARG 87 12.892 -11.607 2.251 664 2HD ARG 87 HD1 ARG 87 11.144 -11.401 2.183 665 HE ARG 87 HE ARG 87 12.156 -11.592 4.850 666 1HH1 ARG 87 HH11 ARG 87 11.416 -9.189 2.245 667 2HH1 ARG 87 HH12 ARG 87 11.539 -7.892 3.262 668 1HH2 ARG 87 HH21 ARG 87 12.280 -9.748 6.205 669 2HH2 ARG 87 HH22 ARG 87 12.058 -8.177 5.540 670 H ASN 88 H ASN 88 8.251 -15.843 2.430 671 HA ASN 88 HA ASN 88 6.510 -17.066 3.066 672 1HB ASN 88 HB2 ASN 88 6.376 -15.154 5.410 673 2HB ASN 88 HB1 ASN 88 5.269 -16.506 5.233 674 1HD2 ASN 88 HD21 ASN 88 6.105 -18.620 5.300 675 2HD2 ASN 88 HD22 ASN 88 7.624 -18.969 6.026 676 H ASN 89 H ASN 89 6.305 -14.696 1.433 677 HA ASN 89 HA ASN 89 3.441 -14.842 0.998 678 1HB ASN 89 HB2 ASN 89 4.975 -12.200 1.113 679 2HB ASN 89 HB1 ASN 89 3.348 -12.379 0.486 680 1HD2 ASN 89 HD21 ASN 89 5.221 -11.708 3.156 681 2HD2 ASN 89 HD22 ASN 89 3.973 -11.733 4.347 682 H GLN 90 H GLN 90 3.892 -12.737 -1.111 683 HA GLN 90 HA GLN 90 5.262 -14.475 -2.999 684 1HB GLN 90 HB2 GLN 90 4.443 -12.975 -4.684 685 2HB GLN 90 HB1 GLN 90 3.057 -13.471 -3.675 686 1HG GLN 90 HG2 GLN 90 4.554 -10.950 -3.406 687 2HG GLN 90 HG1 GLN 90 3.189 -11.100 -4.520 688 1HE2 GLN 90 HE21 GLN 90 4.220 -10.705 -1.278 689 2HE2 GLN 90 HE22 GLN 90 2.623 -10.601 -0.582 690 H THR 91 H THR 91 6.804 -13.338 -4.449 691 HA THR 91 HA THR 91 8.263 -11.479 -2.822 692 HB THR 91 HB THR 91 10.049 -11.827 -4.696 693 HG1 THR 91 HG1 THR 91 9.140 -13.024 -6.251 694 1HG2 THR 91 HG21 THR 91 9.327 -14.081 -2.786 695 2HG2 THR 91 HG22 THR 91 10.295 -12.686 -2.362 696 3HG2 THR 91 HG23 THR 91 10.903 -13.850 -3.530 697 H ILE 92 H ILE 92 7.902 -9.625 -3.011 698 HA ILE 92 HA ILE 92 7.220 -8.296 -5.449 699 HB ILE 92 HB ILE 92 5.807 -6.756 -3.931 700 1HG1 ILE 92 HG12 ILE 92 4.626 -8.298 -2.157 701 2HG1 ILE 92 HG11 ILE 92 6.172 -9.100 -2.215 702 1HG2 ILE 92 HG21 ILE 92 3.783 -8.079 -4.254 703 2HG2 ILE 92 HG22 ILE 92 4.784 -9.489 -4.641 704 3HG2 ILE 92 HG23 ILE 92 4.813 -8.077 -5.673 705 1HD1 ILE 92 HD11 ILE 92 7.384 -7.157 -1.642 706 2HD1 ILE 92 HD12 ILE 92 6.060 -7.335 -0.485 707 3HD1 ILE 92 HD13 ILE 92 5.950 -6.158 -1.776 708 H PHE 93 H PHE 93 7.635 -5.916 -5.294 709 HA PHE 93 HA PHE 93 10.420 -5.814 -4.454 710 1HB PHE 93 HB2 PHE 93 8.670 -3.953 -6.048 711 2HB PHE 93 HB1 PHE 93 10.370 -3.673 -5.771 712 HD1 PHE 93 HD1 PHE 93 7.859 -5.604 -7.588 713 HD2 PHE 93 HD2 PHE 93 12.010 -4.987 -6.932 714 HE1 PHE 93 HE1 PHE 93 8.354 -6.850 -9.653 715 HE2 PHE 93 HE2 PHE 93 12.529 -6.242 -9.006 716 HZ PHE 93 HZ PHE 93 10.691 -7.171 -10.363 717 H GLU 94 H GLU 94 10.928 -4.816 -2.554 718 HA GLU 94 HA GLU 94 8.899 -3.226 -1.281 719 1HB GLU 94 HB2 GLU 94 11.569 -4.187 -0.186 720 2HB GLU 94 HB1 GLU 94 10.240 -3.490 0.718 721 1HG GLU 94 HG2 GLU 94 8.903 -5.486 -0.043 722 2HG GLU 94 HG1 GLU 94 10.437 -6.252 -0.438 723 H GLN 95 H GLN 95 9.303 -1.115 -0.860 724 HA GLN 95 HA GLN 95 11.693 0.008 -2.138 725 1HB GLN 95 HB2 GLN 95 9.364 0.277 -3.288 726 2HB GLN 95 HB1 GLN 95 9.044 1.429 -1.997 727 1HG GLN 95 HG2 GLN 95 10.913 2.764 -2.659 728 2HG GLN 95 HG1 GLN 95 11.395 1.556 -3.841 729 1HE2 GLN 95 HE21 GLN 95 9.201 4.103 -3.066 730 2HE2 GLN 95 HE22 GLN 95 8.610 4.333 -4.666 731 H THR 96 H THR 96 12.975 0.848 -0.604 732 HA THR 96 HA THR 96 11.750 1.816 1.914 733 HB THR 96 HB THR 96 14.610 1.420 1.992 734 HG1 THR 96 HG1 THR 96 13.755 -1.097 1.968 735 1HG2 THR 96 HG21 THR 96 12.315 0.114 3.463 736 2HG2 THR 96 HG22 THR 96 13.133 1.579 3.974 737 3HG2 THR 96 HG23 THR 96 14.002 0.036 3.958 738 H ILE 97 H ILE 97 12.562 3.705 2.831 739 HA ILE 97 HA ILE 97 13.961 5.530 0.982 740 HB ILE 97 HB ILE 97 12.766 6.315 3.659 741 1HG1 ILE 97 HG12 ILE 97 11.308 6.504 1.068 742 2HG1 ILE 97 HG11 ILE 97 11.204 5.027 2.010 743 1HG2 ILE 97 HG21 ILE 97 13.086 7.816 1.034 744 2HG2 ILE 97 HG22 ILE 97 14.292 7.822 2.296 745 3HG2 ILE 97 HG23 ILE 97 12.707 8.499 2.624 746 1HD1 ILE 97 HD11 ILE 97 9.352 6.221 2.492 747 2HD1 ILE 97 HD12 ILE 97 10.146 7.762 2.617 748 3HD1 ILE 97 HD13 ILE 97 10.365 6.513 3.895 749 H ASN 98 H ASN 98 15.713 6.711 1.796 750 HA ASN 98 HA ASN 98 17.216 5.224 3.781 751 1HB ASN 98 HB2 ASN 98 19.148 6.578 2.756 752 2HB ASN 98 HB1 ASN 98 18.448 5.292 1.772 753 1HD2 ASN 98 HD21 ASN 98 17.186 8.595 2.332 754 2HD2 ASN 98 HD22 ASN 98 17.269 9.074 0.688 755 H ASP 99 H ASP 99 15.091 7.400 4.196 756 HA ASP 99 HA ASP 99 16.537 8.778 6.266 757 1HB ASP 99 HB2 ASP 99 16.916 9.942 4.001 758 2HB ASP 99 HB1 ASP 99 15.290 10.543 4.232 759 H LEU 100 H LEU 100 13.632 9.132 4.212 760 HA LEU 100 HA LEU 100 11.914 10.104 6.327 761 1HB LEU 100 HB2 LEU 100 11.091 8.969 3.670 762 2HB LEU 100 HB1 LEU 100 10.249 10.100 4.689 763 HG LEU 100 HG LEU 100 12.849 11.007 3.613 764 1HD1 LEU 100 HD11 LEU 100 11.667 11.628 1.512 765 2HD1 LEU 100 HD12 LEU 100 10.317 10.598 2.033 766 3HD1 LEU 100 HD13 LEU 100 11.894 9.896 1.706 767 1HD2 LEU 100 HD21 LEU 100 10.124 12.252 3.804 768 2HD2 LEU 100 HD22 LEU 100 11.632 13.056 3.432 769 3HD2 LEU 100 HD23 LEU 100 11.367 12.394 5.063 770 H THR 101 H THR 101 13.181 7.368 6.422 771 HA THR 101 HA THR 101 11.626 5.192 5.878 772 HB THR 101 HB THR 101 13.429 5.411 8.255 773 HG1 THR 101 HG1 THR 101 15.074 5.067 6.459 774 1HG2 THR 101 HG21 THR 101 12.399 3.204 7.671 775 2HG2 THR 101 HG22 THR 101 14.150 3.188 7.480 776 3HG2 THR 101 HG23 THR 101 13.110 3.323 6.063 777 H PHE 102 H PHE 102 11.193 7.465 8.415 778 HA PHE 102 HA PHE 102 9.780 5.853 10.284 779 1HB PHE 102 HB2 PHE 102 9.008 8.017 11.241 780 2HB PHE 102 HB1 PHE 102 10.752 7.923 11.043 781 HD1 PHE 102 HD1 PHE 102 7.663 9.543 9.910 782 HD2 PHE 102 HD2 PHE 102 11.886 9.335 9.418 783 HE1 PHE 102 HE1 PHE 102 7.620 11.671 8.679 784 HE2 PHE 102 HE2 PHE 102 11.850 11.469 8.185 785 HZ PHE 102 HZ PHE 102 9.715 12.637 7.813
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