NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9335 | 1nr3 | 5657 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 7.275 -7.582 -17.251 2 HA MET 1 HA MET 1 9.665 -6.318 -18.182 3 2HB MET 1 2HB MET 1 9.138 -5.423 -15.564 4 2HG MET 1 2HG MET 1 7.811 -4.428 -18.132 5 1HE MET 1 1HE MET 1 10.189 -2.629 -16.067 6 2HE MET 1 2HE MET 1 9.384 -1.291 -16.922 7 3HE MET 1 3HE MET 1 9.270 -1.411 -15.150 8 H ARG 2 H ARG 2 9.015 -7.202 -14.755 9 HA ARG 2 HA ARG 2 10.912 -9.254 -14.708 10 2HB ARG 2 2HB ARG 2 11.848 -6.791 -13.195 11 2HG ARG 2 2HG ARG 2 12.711 -9.375 -13.104 12 2HD ARG 2 2HD ARG 2 15.010 -8.570 -14.632 13 HE ARG 2 HE ARG 2 13.252 -10.867 -14.439 14 1HH1 ARG 2 2HH2 ARG 2 15.706 -9.387 -16.523 15 2HH1 ARG 2 1HH2 ARG 2 16.181 -10.890 -17.241 16 2HH2 ARG 2 1HH ARG 2 15.092 -12.913 -16.558 17 H GLU 3 H GLU 3 10.060 -6.493 -12.482 18 HA GLU 3 HA GLU 3 8.914 -8.508 -10.710 19 2HB GLU 3 2HB GLU 3 9.413 -6.765 -8.880 20 2HG GLU 3 2HG GLU 3 11.275 -8.542 -10.336 21 HE2 GLU 3 HE GLU 3 12.533 -5.634 -10.643 22 H ARG 4 H ARG 4 7.099 -7.628 -9.264 23 HA ARG 4 HA ARG 4 5.659 -5.546 -10.695 24 2HB ARG 4 2HB ARG 4 3.574 -6.997 -9.769 25 2HG ARG 4 2HG ARG 4 4.043 -8.457 -12.029 26 2HD ARG 4 2HD ARG 4 2.795 -5.894 -11.382 27 HE ARG 4 HE ARG 4 3.939 -4.750 -13.115 28 1HH1 ARG 4 2HH2 ARG 4 2.722 -7.865 -14.287 29 2HH1 ARG 4 1HH2 ARG 4 3.010 -7.491 -15.954 30 2HH2 ARG 4 1HH ARG 4 3.948 -5.364 -16.535 31 H GLY 5 H GLY 5 7.397 -5.361 -8.319 32 1HA GLY 5 1HA GLY 5 7.272 -4.080 -6.437 33 2HA GLY 5 2HA GLY 5 5.522 -4.089 -6.526 34 H TRP 6 H TRP 6 4.556 -6.499 -6.238 35 HA TRP 6 HA TRP 6 5.779 -7.471 -3.762 36 2HB TRP 6 2HB TRP 6 3.693 -7.222 -3.051 37 HD1 TRP 6 HD TRP 6 2.628 -4.956 -4.043 38 HE1 TRP 6 1HE TRP 6 0.858 -4.358 -5.907 39 HE3 TRP 6 3HE TRP 6 2.609 -9.543 -6.238 40 HZ2 TRP 6 2HZ TRP 6 -0.326 -5.838 -8.041 41 HZ3 TRP 6 3HZ TRP 6 1.118 -9.883 -8.206 42 HH2 TRP 6 HH TRP 6 -0.316 -8.122 -9.110 43 H SER 7 H SER 7 7.403 -8.296 -5.633 44 HA SER 7 HA SER 7 6.354 -10.749 -6.755 45 2HB SER 7 2HB SER 7 7.574 -9.227 -8.272 46 HG SER 7 HG SER 7 9.315 -9.063 -6.176 47 H GLN 8 H GLN 8 6.532 -10.879 -3.988 48 HA GLN 8 HA GLN 8 7.231 -12.321 -2.494 49 2HB GLN 8 2HB GLN 8 9.667 -13.263 -3.961 50 2HG GLN 8 2HG GLN 8 7.967 -15.401 -3.356 51 1HE2 GLN 8 1HE2 GLN 8 8.603 -16.109 -0.855 52 2HE2 GLN 8 2HE2 GLN 8 10.315 -16.124 -0.596 53 H LYS 9 H LYS 9 7.734 -9.929 -1.779 54 HA LYS 9 HA LYS 9 10.551 -9.341 -1.648 55 2HB LYS 9 2HB LYS 9 8.392 -7.813 -0.213 56 2HG LYS 9 2HG LYS 9 9.932 -5.947 -1.258 57 2HD LYS 9 2HD LYS 9 10.200 -7.602 1.163 58 2HE LYS 9 2HE LYS 9 12.651 -6.746 -0.256 59 1HZ LYS 9 1HZ LYS 9 12.918 -4.980 1.172 60 2HZ LYS 9 2HZ LYS 9 11.972 -5.593 2.348 61 H LYS 10 H LYS 10 8.038 -9.348 0.965 62 HA LYS 10 HA LYS 10 9.774 -11.121 2.498 63 2HB LYS 10 2HB LYS 10 8.824 -8.406 3.454 64 2HG LYS 10 2HG LYS 10 9.364 -10.845 4.916 65 2HD LYS 10 2HD LYS 10 11.150 -8.624 5.894 66 2HE LYS 10 2HE LYS 10 11.454 -11.662 5.962 67 1HZ LYS 10 1HZ LYS 10 12.578 -9.702 7.860 68 2HZ LYS 10 2HZ LYS 10 13.096 -11.214 7.545 69 H ILE 11 H ILE 11 7.065 -9.189 3.776 70 HA ILE 11 HA ILE 11 5.700 -11.565 4.515 71 HB ILE 11 HB ILE 11 4.727 -8.709 4.576 72 2HG1 ILE 11 2HG1 ILE 11 6.886 -8.813 5.674 73 1HG2 ILE 11 1HG2 ILE 11 2.842 -9.822 5.137 74 2HG2 ILE 11 2HG2 ILE 11 3.716 -11.290 5.634 75 3HG2 ILE 11 3HG2 ILE 11 3.632 -9.890 6.730 76 1HD1 ILE 11 1HD1 ILE 11 4.455 -8.075 6.922 77 2HD1 ILE 11 2HD1 ILE 11 5.364 -8.977 8.158 78 3HD1 ILE 11 3HD1 ILE 11 6.093 -7.552 7.380 79 H ALA 12 H ALA 12 6.112 -10.152 1.534 80 HA ALA 12 HA ALA 12 3.770 -9.771 0.322 81 1HB ALA 12 1HB ALA 12 4.863 -10.326 -1.673 82 2HB ALA 12 2HB ALA 12 6.223 -9.982 -0.577 83 3HB ALA 12 3HB ALA 12 5.765 -11.666 -0.924 84 H ARG 13 H ARG 13 5.059 -12.906 1.494 85 HA ARG 13 HA ARG 13 3.324 -14.567 0.227 86 2HB ARG 13 2HB ARG 13 5.152 -15.484 1.522 87 2HG ARG 13 2HG ARG 13 3.868 -14.682 4.137 88 2HD ARG 13 2HD ARG 13 6.769 -15.074 3.251 89 HE ARG 13 HE ARG 13 6.937 -13.871 5.286 90 1HH1 ARG 13 2HH2 ARG 13 4.663 -16.567 5.632 91 2HH1 ARG 13 1HH2 ARG 13 4.590 -16.446 7.359 92 2HH2 ARG 13 1HH ARG 13 5.880 -14.761 8.472 93 H GLU 14 H GLU 14 2.972 -13.047 3.520 94 HA GLU 14 HA GLU 14 0.441 -14.061 3.983 95 2HB GLU 14 2HB GLU 14 1.111 -11.394 5.152 96 2HG GLU 14 2HG GLU 14 -0.616 -13.372 5.848 97 HE2 GLU 14 HE GLU 14 1.954 -13.447 8.403 98 H LEU 15 H LEU 15 1.588 -11.329 2.056 99 HA LEU 15 HA LEU 15 -0.861 -9.919 1.997 100 2HB LEU 15 2HB LEU 15 0.253 -8.933 -0.109 101 HG LEU 15 HG LEU 15 0.384 -7.962 2.281 102 1HD1 LEU 15 1HD1 LEU 15 3.217 -9.016 2.087 103 2HD1 LEU 15 2HD1 LEU 15 2.514 -8.032 3.392 104 3HD1 LEU 15 3HD1 LEU 15 1.949 -9.700 3.132 105 1HD2 LEU 15 1HD2 LEU 15 0.883 -6.360 0.767 106 2HD2 LEU 15 2HD2 LEU 15 2.522 -6.571 1.430 107 3HD2 LEU 15 3HD2 LEU 15 2.066 -7.375 -0.091 108 H LYS 16 H LYS 16 0.760 -12.094 -0.426 109 HA LYS 16 HA LYS 16 -1.299 -12.144 -2.241 110 2HB LYS 16 2HB LYS 16 0.990 -13.018 -2.597 111 2HG LYS 16 2HG LYS 16 0.065 -14.943 -0.511 112 2HD LYS 16 2HD LYS 16 1.150 -15.811 -3.162 113 2HE LYS 16 2HE LYS 16 2.025 -17.294 -0.663 114 1HZ LYS 16 1HZ LYS 16 2.656 -18.659 -2.322 115 2HZ LYS 16 2HZ LYS 16 2.348 -17.568 -3.492 116 H THR 17 H THR 17 -0.974 -13.764 0.903 117 HA THR 17 HA THR 17 -3.102 -15.609 0.447 118 HB THR 17 HB THR 17 -1.635 -14.591 2.933 119 HG1 THR 17 1HG THR 17 -0.463 -16.523 2.496 120 1HG2 THR 17 1HG2 THR 17 -4.011 -15.701 3.272 121 2HG2 THR 17 2HG2 THR 17 -3.205 -17.187 2.715 122 3HG2 THR 17 3HG2 THR 17 -2.629 -16.357 4.182 123 H THR 18 H THR 18 -2.877 -12.229 1.422 124 HA THR 18 HA THR 18 -5.605 -12.250 2.423 125 HB THR 18 HB THR 18 -3.348 -10.871 3.143 126 HG1 THR 18 1HG THR 18 -5.190 -9.291 3.889 127 1HG2 THR 18 1HG2 THR 18 -3.490 -8.580 2.396 128 2HG2 THR 18 2HG2 THR 18 -3.525 -9.556 0.906 129 3HG2 THR 18 3HG2 THR 18 -5.035 -8.877 1.561 130 H ARG 19 H ARG 19 -7.362 -11.953 1.214 131 HA ARG 19 HA ARG 19 -7.535 -10.041 -0.732 132 2HB ARG 19 2HB ARG 19 -6.015 -11.494 -2.068 133 2HG ARG 19 2HG ARG 19 -8.058 -13.602 -2.495 134 2HD ARG 19 2HD ARG 19 -5.276 -14.231 -1.606 135 HE ARG 19 HE ARG 19 -7.238 -15.277 -3.514 136 1HH1 ARG 19 2HH2 ARG 19 -3.824 -15.316 -2.569 137 2HH1 ARG 19 1HH2 ARG 19 -3.507 -16.848 -3.311 138 2HH2 ARG 19 1HH ARG 19 -5.285 -17.996 -4.436 139 H GLN 20 H GLN 20 -9.187 -10.599 1.319 140 HA GLN 20 HA GLN 20 -11.124 -12.546 0.736 141 2HB GLN 20 2HB GLN 20 -12.072 -10.373 2.459 142 2HG GLN 20 2HG GLN 20 -11.145 -12.967 3.602 143 1HE2 GLN 20 1HE2 GLN 20 -11.634 -11.295 5.287 144 2HE2 GLN 20 2HE2 GLN 20 -13.263 -11.171 5.862 145 H ASN 21 H ASN 21 -11.269 -11.724 -1.647 146 HA ASN 21 HA ASN 21 -12.377 -10.757 -3.241 147 2HB ASN 21 2HB ASN 21 -14.789 -9.813 -1.978 148 1HD2 ASN 21 1HD2 ASN 21 -16.337 -10.324 -3.329 149 2HD2 ASN 21 2HD2 ASN 21 -16.331 -11.611 -4.489 150 H VAL 22 H VAL 22 -10.774 -9.078 -1.190 151 HA VAL 22 HA VAL 22 -12.156 -6.526 -1.321 152 HB VAL 22 HB VAL 22 -9.422 -6.967 -0.177 153 1HG1 VAL 22 1HG1 VAL 22 -11.216 -4.814 -0.279 154 2HG1 VAL 22 2HG1 VAL 22 -11.314 -5.419 1.391 155 3HG1 VAL 22 3HG1 VAL 22 -9.741 -4.942 0.709 156 1HG2 VAL 22 1HG2 VAL 22 -12.041 -7.860 1.062 157 2HG2 VAL 22 2HG2 VAL 22 -10.590 -8.840 0.740 158 3HG2 VAL 22 3HG2 VAL 22 -10.553 -7.581 1.999 159 H SER 23 H SER 23 -9.199 -5.398 -1.309 160 HA SER 23 HA SER 23 -9.219 -4.418 -3.824 161 2HB SER 23 2HB SER 23 -6.466 -4.782 -2.978 162 HG SER 23 HG SER 23 -8.357 -2.603 -3.004 163 H ALA 24 H ALA 24 -7.104 -7.140 -2.630 164 HA ALA 24 HA ALA 24 -5.887 -8.610 -3.818 165 1HB ALA 24 1HB ALA 24 -8.453 -9.176 -5.306 166 2HB ALA 24 2HB ALA 24 -7.276 -10.318 -4.614 167 3HB ALA 24 3HB ALA 24 -8.370 -9.410 -3.544 168 H ILE 25 H ILE 25 -5.092 -6.321 -4.870 169 HA ILE 25 HA ILE 25 -5.782 -5.944 -7.582 170 HB ILE 25 HB ILE 25 -3.432 -5.004 -5.937 171 2HG1 ILE 25 2HG1 ILE 25 -5.521 -4.198 -5.043 172 1HG2 ILE 25 1HG2 ILE 25 -2.702 -3.682 -7.652 173 2HG2 ILE 25 2HG2 ILE 25 -3.290 -5.086 -8.575 174 3HG2 ILE 25 3HG2 ILE 25 -4.296 -3.623 -8.443 175 1HD1 ILE 25 1HD1 ILE 25 -4.359 -2.264 -4.794 176 2HD1 ILE 25 2HD1 ILE 25 -3.596 -2.438 -6.393 177 3HD1 ILE 25 3HD1 ILE 25 -5.203 -1.685 -6.251 178 H GLU 26 H GLU 26 -3.584 -8.088 -5.854 179 HA GLU 26 HA GLU 26 -1.887 -8.575 -8.033 180 2HB GLU 26 2HB GLU 26 -1.036 -10.431 -6.687 181 2HG GLU 26 2HG GLU 26 -1.759 -7.853 -5.296 182 HE2 GLU 26 HE GLU 26 0.178 -9.377 -2.426 183 H ARG 27 H ARG 27 -4.702 -10.384 -6.620 184 HA ARG 27 HA ARG 27 -4.618 -12.386 -8.544 185 2HB ARG 27 2HB ARG 27 -6.873 -11.377 -6.745 186 2HG ARG 27 2HG ARG 27 -7.262 -12.958 -8.984 187 2HD ARG 27 2HD ARG 27 -7.604 -15.056 -6.955 188 HE ARG 27 HE ARG 27 -5.961 -15.537 -9.328 189 1HH1 ARG 27 2HH2 ARG 27 -9.282 -15.119 -8.167 190 2HH1 ARG 27 1HH2 ARG 27 -9.987 -15.976 -9.497 191 2HH2 ARG 27 1HH ARG 27 -8.562 -16.877 -11.200 192 H LYS 28 H LYS 28 -6.571 -9.351 -8.210 193 HA LYS 28 HA LYS 28 -8.156 -9.734 -10.465 194 2HB LYS 28 2HB LYS 28 -8.386 -7.194 -10.321 195 2HG LYS 28 2HG LYS 28 -9.317 -7.441 -7.846 196 2HD LYS 28 2HD LYS 28 -10.253 -8.381 -10.454 197 2HE LYS 28 2HE LYS 28 -11.785 -9.648 -8.193 198 1HZ LYS 28 1HZ LYS 28 -11.246 -10.714 -10.894 199 2HZ LYS 28 2HZ LYS 28 -12.528 -11.007 -9.936 200 H ALA 29 H ALA 29 -5.137 -7.742 -10.081 201 HA ALA 29 HA ALA 29 -4.835 -6.927 -12.642 202 1HB ALA 29 1HB ALA 29 -2.760 -7.859 -10.622 203 2HB ALA 29 2HB ALA 29 -2.361 -6.984 -12.120 204 3HB ALA 29 3HB ALA 29 -3.362 -6.203 -10.873 205 H MET 30 H MET 30 -3.504 -10.018 -11.255 206 HA MET 30 HA MET 30 -2.582 -10.948 -13.691 207 2HB MET 30 2HB MET 30 -3.322 -13.186 -12.057 208 2HG MET 30 2HG MET 30 -0.701 -11.932 -11.450 209 1HE MET 30 1HE MET 30 1.174 -14.621 -10.999 210 2HE MET 30 2HE MET 30 1.301 -14.710 -12.772 211 3HE MET 30 3HE MET 30 1.188 -13.128 -11.967 212 H GLU 31 H GLU 31 -5.813 -10.728 -12.394 213 HA GLU 31 HA GLU 31 -6.833 -12.890 -13.937 214 2HB GLU 31 2HB GLU 31 -8.933 -11.111 -13.135 215 2HG GLU 31 2HG GLU 31 -7.906 -13.557 -11.636 216 HE2 GLU 31 HE GLU 31 -10.797 -12.415 -13.120 217 H ASN 32 H ASN 32 -5.381 -11.338 -15.688 218 HA ASN 32 HA ASN 32 -5.438 -10.109 -17.487 219 2HB ASN 32 2HB ASN 32 -7.728 -10.439 -18.847 220 1HD2 ASN 32 1HD2 ASN 32 -8.026 -12.757 -19.827 221 2HD2 ASN 32 2HD2 ASN 32 -6.557 -13.600 -20.193 222 H ILE 33 H ILE 33 -6.299 -8.724 -15.038 223 HA ILE 33 HA ILE 33 -8.631 -7.293 -15.244 224 HB ILE 33 HB ILE 33 -6.455 -7.406 -13.557 225 2HG1 ILE 33 2HG1 ILE 33 -8.645 -7.234 -12.708 226 1HG2 ILE 33 1HG2 ILE 33 -5.645 -5.165 -13.230 227 2HG2 ILE 33 2HG2 ILE 33 -5.343 -5.646 -14.918 228 3HG2 ILE 33 3HG2 ILE 33 -6.690 -4.548 -14.533 229 1HD1 ILE 33 1HD1 ILE 33 -7.401 -4.496 -12.192 230 2HD1 ILE 33 2HD1 ILE 33 -8.534 -5.375 -11.138 231 3HD1 ILE 33 3HD1 ILE 33 -6.881 -5.992 -11.379 232 H GLU 34 H GLU 34 -9.073 -5.075 -15.939 233 HA GLU 34 HA GLU 34 -7.207 -3.798 -17.628 234 2HB GLU 34 2HB GLU 34 -9.323 -4.027 -19.465 235 2HG GLU 34 2HG GLU 34 -7.000 -5.915 -19.689 236 HE2 GLU 34 HE GLU 34 -7.478 -2.831 -21.385 237 H LYS 35 H LYS 35 -10.829 -4.132 -17.382 238 HA LYS 35 HA LYS 35 -11.216 -1.887 -15.827 239 2HB LYS 35 2HB LYS 35 -10.326 -0.472 -17.506 240 2HG LYS 35 2HG LYS 35 -12.012 -0.832 -19.765 241 2HD LYS 35 2HD LYS 35 -9.535 -2.026 -20.375 242 2HE LYS 35 2HE LYS 35 -10.838 -0.043 -21.458 243 1HZ LYS 35 1HZ LYS 35 -10.679 1.948 -20.448 244 2HZ LYS 35 2HZ LYS 35 -10.102 1.203 -19.120 245 H SER 36 H SER 36 -12.534 -3.728 -15.067 246 HA SER 36 HA SER 36 -15.124 -3.564 -16.313 247 2HB SER 36 2HB SER 36 -15.432 -5.997 -16.411 248 HG SER 36 HG SER 36 -14.524 -5.952 -18.339 249 H ARG 37 H ARG 37 -13.433 -5.690 -13.882 250 HA ARG 37 HA ARG 37 -15.318 -6.031 -12.113 251 2HB ARG 37 2HB ARG 37 -13.191 -5.369 -10.412 252 2HG ARG 37 2HG ARG 37 -12.458 -7.860 -11.229 253 2HD ARG 37 2HD ARG 37 -14.621 -6.818 -9.433 254 HE ARG 37 HE ARG 37 -14.512 -9.754 -9.582 255 1HH1 ARG 37 2HH2 ARG 37 -16.255 -6.842 -10.601 256 2HH1 ARG 37 1HH2 ARG 37 -17.731 -7.689 -10.923 257 2HH2 ARG 37 1HH ARG 37 -17.829 -10.057 -10.567 258 H ASN 38 H ASN 38 -13.037 -3.196 -11.824 259 HA ASN 38 HA ASN 38 -13.471 -1.091 -11.352 260 2HB ASN 38 2HB ASN 38 -16.278 -1.414 -10.365 261 1HD2 ASN 38 1HD2 ASN 38 -14.845 -0.323 -13.418 262 2HD2 ASN 38 2HD2 ASN 38 -15.118 1.375 -13.204 263 H THR 39 H THR 39 -12.488 -3.112 -9.535 264 HA THR 39 HA THR 39 -13.826 -2.871 -7.013 265 HB THR 39 HB THR 39 -11.205 -4.077 -8.015 266 HG1 THR 39 1HG THR 39 -13.408 -5.024 -8.410 267 1HG2 THR 39 1HG2 THR 39 -12.223 -4.920 -5.361 268 2HG2 THR 39 2HG2 THR 39 -10.548 -4.605 -5.876 269 3HG2 THR 39 3HG2 THR 39 -11.592 -3.255 -5.367 270 H LEU 40 H LEU 40 -10.364 -2.105 -7.687 271 HA LEU 40 HA LEU 40 -10.099 -0.356 -5.600 272 2HB LEU 40 2HB LEU 40 -8.376 -1.429 -7.187 273 HG LEU 40 HG LEU 40 -8.959 1.142 -8.650 274 1HD1 LEU 40 1HD1 LEU 40 -6.819 1.625 -8.976 275 2HD1 LEU 40 2HD1 LEU 40 -6.395 0.387 -7.770 276 3HD1 LEU 40 3HD1 LEU 40 -6.471 -0.041 -9.496 277 1HD2 LEU 40 1HD2 LEU 40 -9.152 -1.683 -9.234 278 2HD2 LEU 40 2HD2 LEU 40 -9.741 -0.284 -10.162 279 3HD2 LEU 40 3HD2 LEU 40 -8.075 -0.867 -10.392 280 H ASP 41 H ASP 41 -11.757 0.070 -8.664 281 HA ASP 41 HA ASP 41 -11.604 2.858 -8.737 282 2HB ASP 41 2HB ASP 41 -13.908 1.178 -9.805 283 HD2 ASP 41 HD ASP 41 -12.949 3.909 -12.395 284 H PHE 42 H PHE 42 -14.238 0.529 -7.753 285 HA PHE 42 HA PHE 42 -16.066 2.377 -6.870 286 2HB PHE 42 2HB PHE 42 -15.266 -0.479 -6.138 287 HD1 PHE 42 1HD PHE 42 -15.785 -1.378 -4.093 288 HD2 PHE 42 2HD PHE 42 -18.209 1.768 -5.589 289 HE1 PHE 42 1HE PHE 42 -17.219 -1.504 -2.036 290 HE2 PHE 42 2HE PHE 42 -19.643 1.641 -3.533 291 HZ PHE 42 HZ PHE 42 -19.131 0.006 -1.781 292 H VAL 43 H VAL 43 -13.175 1.033 -5.230 293 HA VAL 43 HA VAL 43 -13.904 2.242 -2.722 294 HB VAL 43 HB VAL 43 -12.174 0.196 -3.654 295 1HG1 VAL 43 1HG1 VAL 43 -10.427 1.977 -3.737 296 2HG1 VAL 43 2HG1 VAL 43 -10.687 2.262 -1.998 297 3HG1 VAL 43 3HG1 VAL 43 -10.074 0.688 -2.561 298 1HG2 VAL 43 1HG2 VAL 43 -13.463 -0.284 -1.784 299 2HG2 VAL 43 2HG2 VAL 43 -11.854 -0.031 -1.066 300 3HG2 VAL 43 3HG2 VAL 43 -13.077 1.261 -0.987 301 H LYS 44 H LYS 44 -12.220 3.104 -5.671 302 HA LYS 44 HA LYS 44 -10.498 5.041 -4.574 303 2HB LYS 44 2HB LYS 44 -11.048 5.823 -7.186 304 2HG LYS 44 2HG LYS 44 -9.108 3.580 -6.630 305 2HD LYS 44 2HD LYS 44 -9.206 4.896 -8.818 306 2HE LYS 44 2HE LYS 44 -7.689 7.154 -8.134 307 1HZ LYS 44 1HZ LYS 44 -9.344 7.273 -9.799 308 2HZ LYS 44 2HZ LYS 44 -10.548 6.793 -8.812 309 H SER 45 H SER 45 -13.879 5.117 -5.815 310 HA SER 45 HA SER 45 -14.296 7.761 -5.929 311 2HB SER 45 2HB SER 45 -16.212 5.708 -4.734 312 HG SER 45 HG SER 45 -16.604 8.275 -6.007 313 H LEU 46 H LEU 46 -14.332 5.657 -2.987 314 HA LEU 46 HA LEU 46 -15.279 7.313 -1.101 315 2HB LEU 46 2HB LEU 46 -12.944 6.131 -0.012 316 HG LEU 46 HG LEU 46 -15.686 4.860 -0.120 317 1HD1 LEU 46 1HD1 LEU 46 -14.028 4.688 2.313 318 2HD1 LEU 46 2HD1 LEU 46 -14.992 3.446 1.481 319 3HD1 LEU 46 3HD1 LEU 46 -13.366 3.857 0.886 320 1HD2 LEU 46 1HD2 LEU 46 -16.568 6.474 1.119 321 2HD2 LEU 46 2HD2 LEU 46 -15.240 6.355 2.297 322 3HD2 LEU 46 3HD2 LEU 46 -15.082 7.425 0.884 323 H LYS 47 H LYS 47 -11.809 7.246 -2.188 324 HA LYS 47 HA LYS 47 -10.200 8.752 -2.001 325 2HB LYS 47 2HB LYS 47 -11.359 11.240 -2.285 326 2HG LYS 47 2HG LYS 47 -10.106 9.180 -3.964 327 2HD LYS 47 2HD LYS 47 -12.539 10.419 -4.984 328 2HE LYS 47 2HE LYS 47 -10.631 12.126 -5.653 329 1HZ LYS 47 1HZ LYS 47 -9.756 11.236 -7.901 330 2HZ LYS 47 2HZ LYS 47 -8.990 10.745 -6.551 331 H SER 48 H SER 48 -11.022 7.759 0.457 332 HA SER 48 HA SER 48 -11.581 9.923 2.203 333 2HB SER 48 2HB SER 48 -10.759 7.906 3.861 334 HG SER 48 HG SER 48 -13.238 8.427 2.527 335 HA PRO 49 HA PRO 49 -7.459 11.042 3.043 336 2HB PRO 49 2HB PRO 49 -8.111 13.023 4.016 337 2HG PRO 49 2HG PRO 49 -10.277 13.042 4.807 338 2HD PRO 49 2HD PRO 49 -11.205 11.401 3.491 339 H VAL 50 H VAL 50 -5.487 10.478 4.006 340 HA VAL 50 HA VAL 50 -5.675 8.676 6.250 341 HB VAL 50 HB VAL 50 -4.552 7.750 3.599 342 1HG1 VAL 50 1HG1 VAL 50 -4.299 5.568 4.769 343 2HG1 VAL 50 2HG1 VAL 50 -3.278 6.854 5.456 344 3HG1 VAL 50 3HG1 VAL 50 -4.771 6.362 6.291 345 1HG2 VAL 50 1HG2 VAL 50 -7.089 6.966 5.068 346 2HG2 VAL 50 2HG2 VAL 50 -6.956 7.728 3.465 347 3HG2 VAL 50 3HG2 VAL 50 -6.396 6.055 3.704 348 H ARG 51 H ARG 51 -3.440 8.121 7.068 349 HA ARG 51 HA ARG 51 -1.317 9.654 5.979 350 2HB ARG 51 2HB ARG 51 -1.997 10.319 8.861 351 2HG ARG 51 2HG ARG 51 -0.870 12.295 6.917 352 2HD ARG 51 2HD ARG 51 0.787 12.276 9.070 353 HE ARG 51 HE ARG 51 -0.421 14.302 8.742 354 1HH1 ARG 51 2HH2 ARG 51 -2.511 11.781 10.094 355 2HH1 ARG 51 1HH2 ARG 51 -3.774 12.885 10.526 356 2HH2 ARG 51 1HH ARG 51 -3.503 15.219 10.058 357 H ILE 52 H ILE 52 0.672 8.702 6.552 358 HA ILE 52 HA ILE 52 0.818 7.079 8.927 359 HB ILE 52 HB ILE 52 1.760 5.187 7.355 360 2HG1 ILE 52 2HG1 ILE 52 1.297 6.586 5.295 361 1HG2 ILE 52 1HG2 ILE 52 -0.560 5.595 8.862 362 2HG2 ILE 52 2HG2 ILE 52 -1.124 4.926 7.312 363 3HG2 ILE 52 3HG2 ILE 52 0.089 4.047 8.272 364 1HD1 ILE 52 1HD1 ILE 52 1.388 4.577 4.261 365 2HD1 ILE 52 2HD1 ILE 52 0.927 3.783 5.786 366 3HD1 ILE 52 3HD1 ILE 52 -0.330 4.299 4.636 367 H LEU 53 H LEU 53 3.002 6.675 9.568 368 HA LEU 53 HA LEU 53 4.876 8.418 8.152 369 2HB LEU 53 2HB LEU 53 4.451 7.624 10.975 370 HG LEU 53 HG LEU 53 7.179 8.003 9.786 371 1HD1 LEU 53 1HD1 LEU 53 6.586 9.980 11.308 372 2HD1 LEU 53 2HD1 LEU 53 6.615 8.798 12.639 373 3HD1 LEU 53 3HD1 LEU 53 8.077 9.074 11.662 374 1HD2 LEU 53 1HD2 LEU 53 6.052 6.352 12.059 375 2HD2 LEU 53 2HD2 LEU 53 6.624 5.778 10.474 376 3HD2 LEU 53 3HD2 LEU 53 7.781 6.450 11.649 377 H CYS 54 H CYS 54 7.001 7.673 7.613 378 HA CYS 54 HA CYS 54 7.109 4.751 7.437 379 2HB CYS 54 2HB CYS 54 8.722 6.538 5.636 380 HG CYS 54 HG CYS 54 8.752 3.682 6.166 381 H ARG 55 H ARG 55 9.042 3.720 8.144 382 HA ARG 55 HA ARG 55 10.983 5.542 9.321 383 2HB ARG 55 2HB ARG 55 11.319 3.437 10.947 384 2HG ARG 55 2HG ARG 55 8.838 4.635 11.845 385 2HD ARG 55 2HD ARG 55 10.549 5.903 13.340 386 HE ARG 55 HE ARG 55 9.586 3.361 13.605 387 1HH1 ARG 55 2HH2 ARG 55 12.817 4.698 14.180 388 2HH1 ARG 55 1HH2 ARG 55 13.209 3.548 15.415 389 2HH2 ARG 55 1HH ARG 55 11.597 1.879 16.017 390 H ARG 56 H ARG 56 12.964 3.723 10.073 391 HA ARG 56 HA ARG 56 14.298 3.288 7.770 392 2HB ARG 56 2HB ARG 56 15.377 3.240 9.986 393 2HG ARG 56 2HG ARG 56 14.067 0.505 10.352 394 2HD ARG 56 2HD ARG 56 15.997 2.204 11.957 395 HE ARG 56 HE ARG 56 13.717 0.830 13.096 396 1HH1 ARG 56 2HH2 ARG 56 17.172 1.413 13.618 397 2HH1 ARG 56 1HH2 ARG 56 17.080 1.181 15.333 398 2HH2 ARG 56 1HH ARG 56 14.965 0.658 16.332 399 H GLY 57 H GLY 57 14.202 1.761 6.131 400 1HA GLY 57 1HA GLY 57 12.140 0.010 5.783 401 2HA GLY 57 2HA GLY 57 13.715 -0.143 5.030 402 H ASP 58 H ASP 58 15.160 -0.451 7.651 403 HA ASP 58 HA ASP 58 15.200 -3.171 7.758 404 2HB ASP 58 2HB ASP 58 15.774 -1.529 10.236 405 HD2 ASP 58 HD ASP 58 18.747 -2.473 9.353 406 H THR 59 H THR 59 12.897 -0.893 9.049 407 HA THR 59 HA THR 59 11.764 -2.980 10.795 408 HB THR 59 HB THR 59 12.712 -0.543 11.599 409 HG1 THR 59 1HG THR 59 11.226 -1.003 13.382 410 1HG2 THR 59 1HG2 THR 59 9.710 -0.179 11.101 411 2HG2 THR 59 2HG2 THR 59 10.783 0.951 11.962 412 3HG2 THR 59 3HG2 THR 59 10.983 0.692 10.212 413 H LEU 60 H LEU 60 11.509 -1.876 7.760 414 HA LEU 60 HA LEU 60 8.963 -0.949 7.407 415 2HB LEU 60 2HB LEU 60 10.105 -2.969 5.522 416 HG LEU 60 HG LEU 60 8.078 -1.624 4.895 417 1HD1 LEU 60 1HD1 LEU 60 8.040 0.529 5.451 418 2HD1 LEU 60 2HD1 LEU 60 9.792 0.554 5.766 419 3HD1 LEU 60 3HD1 LEU 60 9.182 0.810 4.114 420 1HD2 LEU 60 1HD2 LEU 60 9.776 -2.612 3.283 421 2HD2 LEU 60 2HD2 LEU 60 8.757 -1.292 2.662 422 3HD2 LEU 60 3HD2 LEU 60 10.442 -0.968 3.134 423 H ASP 61 H ASP 61 10.098 -4.319 7.947 424 HA ASP 61 HA ASP 61 7.760 -5.600 7.379 425 2HB ASP 61 2HB ASP 61 9.910 -6.731 7.886 426 HD2 ASP 61 HD ASP 61 9.332 -6.243 11.728 427 H GLU 62 H GLU 62 8.997 -4.253 10.528 428 HA GLU 62 HA GLU 62 6.630 -4.922 11.908 429 2HB GLU 62 2HB GLU 62 8.355 -2.763 13.018 430 2HG GLU 62 2HG GLU 62 8.431 -5.086 14.611 431 HE2 GLU 62 HE GLU 62 8.926 -2.929 15.718 432 H ILE 63 H ILE 63 7.876 -2.049 10.179 433 HA ILE 63 HA ILE 63 6.048 -0.193 11.171 434 HB ILE 63 HB ILE 63 8.143 -0.305 9.284 435 2HG1 ILE 63 2HG1 ILE 63 6.562 2.132 10.140 436 1HG2 ILE 63 1HG2 ILE 63 7.373 0.835 7.368 437 2HG2 ILE 63 2HG2 ILE 63 6.234 -0.510 7.617 438 3HG2 ILE 63 3HG2 ILE 63 5.776 1.143 8.088 439 1HD1 ILE 63 1HD1 ILE 63 8.883 1.644 11.763 440 2HD1 ILE 63 2HD1 ILE 63 7.182 1.737 12.278 441 3HD1 ILE 63 3HD1 ILE 63 7.880 0.174 11.791 442 H ILE 64 H ILE 64 5.764 -2.802 8.791 443 HA ILE 64 HA ILE 64 3.495 -1.868 7.461 444 HB ILE 64 HB ILE 64 4.658 -4.599 7.944 445 2HG1 ILE 64 2HG1 ILE 64 5.542 -2.607 6.346 446 1HG2 ILE 64 1HG2 ILE 64 2.959 -4.967 5.843 447 2HG2 ILE 64 2HG2 ILE 64 2.621 -5.440 7.525 448 3HG2 ILE 64 3HG2 ILE 64 1.998 -3.898 6.892 449 1HD1 ILE 64 1HD1 ILE 64 5.855 -5.079 4.884 450 2HD1 ILE 64 2HD1 ILE 64 7.042 -4.242 5.911 451 3HD1 ILE 64 3HD1 ILE 64 5.927 -5.430 6.627 452 H LYS 65 H LYS 65 3.922 -3.794 10.479 453 HA LYS 65 HA LYS 65 1.158 -4.230 10.839 454 2HB LYS 65 2HB LYS 65 2.703 -4.247 13.297 455 2HG LYS 65 2HG LYS 65 1.784 -6.632 11.658 456 2HD LYS 65 2HD LYS 65 1.792 -5.999 14.648 457 2HE LYS 65 2HE LYS 65 1.448 -8.616 14.643 458 1HZ LYS 65 1HZ LYS 65 -0.833 -8.233 14.914 459 2HZ LYS 65 2HZ LYS 65 -0.219 -6.761 15.240 460 H ARG 66 H ARG 66 3.460 -1.662 11.817 461 HA ARG 66 HA ARG 66 1.645 -0.431 13.556 462 2HB ARG 66 2HB ARG 66 3.275 1.588 13.166 463 2HG ARG 66 2HG ARG 66 5.183 -0.364 14.000 464 2HD ARG 66 2HD ARG 66 4.580 0.486 16.287 465 HE ARG 66 HE ARG 66 5.185 2.288 14.044 466 1HH1 ARG 66 2HH2 ARG 66 4.821 2.028 17.559 467 2HH1 ARG 66 1HH2 ARG 66 5.783 3.430 17.887 468 2HH2 ARG 66 1HH ARG 66 6.733 4.656 16.060 469 H LEU 67 H LEU 67 2.377 -0.206 10.063 470 HA LEU 67 HA LEU 67 1.034 2.217 9.592 471 2HB LEU 67 2HB LEU 67 0.964 1.225 7.209 472 HG LEU 67 HG LEU 67 3.793 1.174 8.139 473 1HD1 LEU 67 1HD1 LEU 67 4.259 2.072 6.097 474 2HD1 LEU 67 2HD1 LEU 67 2.734 1.241 5.706 475 3HD1 LEU 67 3HD1 LEU 67 2.737 2.993 6.023 476 1HD2 LEU 67 1HD2 LEU 67 3.088 2.824 9.656 477 2HD2 LEU 67 2HD2 LEU 67 3.729 3.721 8.259 478 3HD2 LEU 67 3HD2 LEU 67 1.971 3.557 8.479 479 H LEU 68 H LEU 68 0.017 -1.249 9.243 480 HA LEU 68 HA LEU 68 -2.521 -0.816 8.332 481 2HB LEU 68 2HB LEU 68 -1.087 -2.967 8.882 482 HG LEU 68 HG LEU 68 -1.599 -2.671 11.415 483 1HD1 LEU 68 1HD1 LEU 68 -3.849 -2.289 11.634 484 2HD1 LEU 68 2HD1 LEU 68 -4.284 -3.397 10.310 485 3HD1 LEU 68 3HD1 LEU 68 -3.790 -4.049 11.891 486 1HD2 LEU 68 1HD2 LEU 68 -2.388 -5.410 10.679 487 2HD2 LEU 68 2HD2 LEU 68 -0.926 -4.811 9.860 488 3HD2 LEU 68 3HD2 LEU 68 -1.009 -4.823 11.639 489 H GLU 69 H GLU 69 -1.305 -0.756 11.732 490 HA GLU 69 HA GLU 69 -3.745 -0.476 12.944 491 2HB GLU 69 2HB GLU 69 -2.485 0.427 14.857 492 2HG GLU 69 2HG GLU 69 -0.321 -1.261 14.354 493 HE2 GLU 69 HE GLU 69 -3.109 -1.081 16.656 494 H GLU 70 H GLU 70 -1.902 1.786 10.991 495 HA GLU 70 HA GLU 70 -3.434 4.014 12.005 496 2HB GLU 70 2HB GLU 70 -1.963 5.379 10.525 497 2HG GLU 70 2HG GLU 70 0.269 4.023 11.587 498 HE2 GLU 70 HE GLU 70 1.160 5.352 13.115 499 H SER 71 H SER 71 -2.967 2.020 9.046 500 HA SER 71 HA SER 71 -4.921 3.581 7.646 501 2HB SER 71 2HB SER 71 -4.504 1.812 5.834 502 HG SER 71 HG SER 71 -3.019 3.872 6.560 503 H ASN 72 H ASN 72 -4.537 0.021 8.340 504 HA ASN 72 HA ASN 72 -6.955 -0.836 7.715 505 2HB ASN 72 2HB ASN 72 -6.139 -1.858 10.385 506 1HD2 ASN 72 1HD2 ASN 72 -6.269 -4.060 10.438 507 2HD2 ASN 72 2HD2 ASN 72 -6.872 -5.031 9.137 508 H LYS 73 H LYS 73 -6.046 1.244 10.445 509 HA LYS 73 HA LYS 73 -8.280 0.835 12.073 510 2HB LYS 73 2HB LYS 73 -7.445 3.479 12.449 511 2HG LYS 73 2HG LYS 73 -7.809 1.827 14.238 512 2HD LYS 73 2HD LYS 73 -5.371 0.385 14.301 513 2HE LYS 73 2HE LYS 73 -7.946 -0.796 13.218 514 1HZ LYS 73 1HZ LYS 73 -5.870 -1.675 15.150 515 2HZ LYS 73 2HZ LYS 73 -7.251 -2.500 14.899 516 H GLU 74 H GLU 74 -7.621 3.206 9.418 517 HA GLU 74 HA GLU 74 -10.454 3.862 9.527 518 2HB GLU 74 2HB GLU 74 -8.901 5.775 9.781 519 2HG GLU 74 2HG GLU 74 -8.048 5.625 6.921 520 HE2 GLU 74 HE GLU 74 -6.904 5.704 10.175 521 H GLY 75 H GLY 75 -8.786 1.528 8.179 522 1HA GLY 75 1HA GLY 75 -10.030 1.848 5.513 523 2HA GLY 75 2HA GLY 75 -8.436 1.157 5.739 524 H ILE 76 H ILE 76 -9.590 -0.693 4.536 525 HA ILE 76 HA ILE 76 -11.339 -2.238 6.269 526 HB ILE 76 HB ILE 76 -12.028 -1.940 3.988 527 2HG1 ILE 76 2HG1 ILE 76 -11.132 -4.751 4.666 528 1HG2 ILE 76 1HG2 ILE 76 -9.264 -2.237 3.400 529 2HG2 ILE 76 2HG2 ILE 76 -10.142 -3.528 2.545 530 3HG2 ILE 76 3HG2 ILE 76 -10.600 -1.826 2.298 531 1HD1 ILE 76 1HD1 ILE 76 -12.791 -4.283 6.213 532 2HD1 ILE 76 2HD1 ILE 76 -13.523 -3.015 5.200 533 3HD1 ILE 76 3HD1 ILE 76 -13.826 -4.731 4.835 534 H HIS 77 H HIS 77 -10.861 -4.424 6.901 535 HA HIS 77 HA HIS 77 -8.374 -4.797 7.930 536 2HB HIS 77 2HB HIS 77 -9.969 -7.178 7.054 537 HD1 HIS 77 1HD HIS 77 -10.102 -6.421 10.615 538 HD2 HIS 77 2HD HIS 77 -7.350 -8.239 8.024 539 HE1 HIS 77 1HE HIS 77 -8.504 -7.755 12.091 540 H VAL 78 H VAL 78 -6.552 -4.501 6.681 541 HA VAL 78 HA VAL 78 -6.208 -6.451 4.527 542 HB VAL 78 HB VAL 78 -6.280 -3.524 4.333 543 1HG1 VAL 78 1HG1 VAL 78 -4.444 -3.322 2.733 544 2HG1 VAL 78 2HG1 VAL 78 -3.834 -3.856 4.318 545 3HG1 VAL 78 3HG1 VAL 78 -4.008 -5.028 2.990 546 1HG2 VAL 78 1HG2 VAL 78 -7.687 -4.292 2.760 547 2HG2 VAL 78 2HG2 VAL 78 -6.228 -4.594 1.786 548 3HG2 VAL 78 3HG2 VAL 78 -6.940 -5.907 2.752 549 H ILE 79 H ILE 79 -4.098 -7.280 4.352 550 HA ILE 79 HA ILE 79 -2.278 -6.341 6.461 551 HB ILE 79 HB ILE 79 -1.470 -8.628 6.638 552 2HG1 ILE 79 2HG1 ILE 79 -2.494 -9.047 4.150 553 1HG2 ILE 79 1HG2 ILE 79 -3.316 -7.772 8.080 554 2HG2 ILE 79 2HG2 ILE 79 -4.479 -8.530 6.967 555 3HG2 ILE 79 3HG2 ILE 79 -3.320 -9.539 7.865 556 1HD1 ILE 79 1HD1 ILE 79 -0.880 -10.590 4.745 557 2HD1 ILE 79 2HD1 ILE 79 -1.530 -10.793 6.389 558 3HD1 ILE 79 3HD1 ILE 79 -2.316 -11.607 5.015 559 H HIS 80 H HIS 80 -2.203 -4.931 4.143 560 HA HIS 80 HA HIS 80 -0.313 -6.203 2.373 561 2HB HIS 80 2HB HIS 80 -0.500 -3.932 1.196 562 HD1 HIS 80 1HD HIS 80 -1.409 -7.029 0.884 563 HD2 HIS 80 2HD HIS 80 -3.826 -3.626 0.465 564 HE1 HIS 80 1HE HIS 80 -3.377 -7.726 -0.582 565 H ASP 81 H ASP 81 1.680 -4.838 1.697 566 HA ASP 81 HA ASP 81 2.880 -3.907 4.177 567 2HB ASP 81 2HB ASP 81 5.058 -4.346 3.009 568 HD2 ASP 81 HD ASP 81 4.343 -6.454 5.039 569 H SER 82 H SER 82 4.568 -2.067 3.828 570 HA SER 82 HA SER 82 3.336 0.068 2.596 571 2HB SER 82 2HB SER 82 6.288 -0.233 3.308 572 HG SER 82 HG SER 82 6.395 1.938 3.208 573 H ILE 83 H ILE 83 5.651 -2.359 1.419 574 HA ILE 83 HA ILE 83 6.429 -0.878 -0.884 575 HB ILE 83 HB ILE 83 6.639 -3.837 -0.322 576 2HG1 ILE 83 2HG1 ILE 83 7.614 -2.430 1.486 577 1HG2 ILE 83 1HG2 ILE 83 8.456 -2.194 -2.078 578 2HG2 ILE 83 2HG2 ILE 83 8.241 -3.960 -2.016 579 3HG2 ILE 83 3HG2 ILE 83 6.963 -2.932 -2.708 580 1HD1 ILE 83 1HD1 ILE 83 9.399 -4.069 -0.343 581 2HD1 ILE 83 2HD1 ILE 83 10.029 -3.349 1.158 582 3HD1 ILE 83 3HD1 ILE 83 8.698 -4.529 1.228 583 H THR 84 H THR 84 3.836 -3.173 -0.029 584 HA THR 84 HA THR 84 3.017 -3.487 -2.773 585 HB THR 84 HB THR 84 2.373 -4.579 -0.075 586 HG1 THR 84 1HG THR 84 3.510 -5.501 -2.079 587 1HG2 THR 84 1HG2 THR 84 0.175 -5.484 -0.873 588 2HG2 THR 84 2HG2 THR 84 0.112 -3.715 -0.682 589 3HG2 THR 84 3HG2 THR 84 0.274 -4.430 -2.303 590 H LEU 85 H LEU 85 2.233 -1.394 -0.008 591 HA LEU 85 HA LEU 85 -0.230 -0.484 -0.940 592 2HB LEU 85 2HB LEU 85 0.764 1.635 0.430 593 HG LEU 85 HG LEU 85 -1.199 0.552 1.241 594 1HD1 LEU 85 1HD1 LEU 85 -1.362 -1.647 2.053 595 2HD1 LEU 85 2HD1 LEU 85 -0.383 -1.770 0.569 596 3HD1 LEU 85 3HD1 LEU 85 0.406 -1.832 2.164 597 1HD2 LEU 85 1HD2 LEU 85 1.090 0.964 3.039 598 2HD2 LEU 85 2HD2 LEU 85 -0.576 1.584 3.128 599 3HD2 LEU 85 3HD2 LEU 85 -0.202 -0.054 3.716 600 H ALA 86 H ALA 86 3.149 0.536 -1.635 601 HA ALA 86 HA ALA 86 2.480 2.830 -3.087 602 1HB ALA 86 1HB ALA 86 4.748 2.919 -3.549 603 2HB ALA 86 2HB ALA 86 4.756 1.840 -2.134 604 3HB ALA 86 3HB ALA 86 4.882 1.159 -3.774 605 H PHE 87 H PHE 87 2.941 -0.625 -4.040 606 HA PHE 87 HA PHE 87 2.557 -0.104 -6.794 607 2HB PHE 87 2HB PHE 87 1.873 -2.757 -5.510 608 HD1 PHE 87 1HD PHE 87 5.068 -1.801 -7.077 609 HD2 PHE 87 2HD PHE 87 1.281 -3.625 -7.654 610 HE1 PHE 87 1HE PHE 87 5.840 -2.706 -9.287 611 HE2 PHE 87 2HE PHE 87 2.053 -4.531 -9.864 612 HZ PHE 87 HZ PHE 87 4.324 -4.060 -10.654 613 H LEU 88 H LEU 88 0.440 -1.476 -4.180 614 HA LEU 88 HA LEU 88 -1.778 -1.878 -5.814 615 2HB LEU 88 2HB LEU 88 -2.878 -1.471 -3.386 616 HG LEU 88 HG LEU 88 -2.966 -3.638 -4.478 617 1HD1 LEU 88 1HD1 LEU 88 -0.782 -5.108 -3.851 618 2HD1 LEU 88 2HD1 LEU 88 -1.023 -4.288 -5.413 619 3HD1 LEU 88 3HD1 LEU 88 -0.029 -3.522 -4.150 620 1HD2 LEU 88 1HD2 LEU 88 -1.715 -4.513 -1.962 621 2HD2 LEU 88 2HD2 LEU 88 -2.913 -3.209 -1.781 622 3HD2 LEU 88 3HD2 LEU 88 -3.374 -4.737 -2.568 623 H ILE 89 H ILE 89 -0.614 0.987 -3.985 624 HA ILE 89 HA ILE 89 -2.943 2.513 -4.460 625 HB ILE 89 HB ILE 89 -0.132 3.163 -3.606 626 2HG1 ILE 89 2HG1 ILE 89 -1.818 1.923 -2.112 627 1HG2 ILE 89 1HG2 ILE 89 -0.924 5.086 -4.859 628 2HG2 ILE 89 2HG2 ILE 89 -2.444 5.094 -3.933 629 3HG2 ILE 89 3HG2 ILE 89 -0.904 5.448 -3.116 630 1HD1 ILE 89 1HD1 ILE 89 -1.090 3.155 -0.137 631 2HD1 ILE 89 2HD1 ILE 89 0.247 3.142 -1.312 632 3HD1 ILE 89 3HD1 ILE 89 -0.751 4.603 -1.116 633 H ARG 90 H ARG 90 0.327 2.404 -6.029 634 HA ARG 90 HA ARG 90 0.128 4.328 -7.804 635 2HB ARG 90 2HB ARG 90 1.137 2.339 -9.441 636 2HG ARG 90 2HG ARG 90 2.648 3.438 -7.031 637 2HD ARG 90 2HD ARG 90 3.859 3.369 -9.748 638 HE ARG 90 HE ARG 90 4.723 3.049 -6.967 639 1HH1 ARG 90 2HH2 ARG 90 5.650 2.574 -10.353 640 2HH1 ARG 90 1HH2 ARG 90 7.349 2.582 -10.019 641 2HH2 ARG 90 1HH ARG 90 8.100 2.868 -7.761 642 H GLU 91 H GLU 91 -1.678 1.239 -7.859 643 HA GLU 91 HA GLU 91 -2.618 1.544 -10.487 644 2HB GLU 91 2HB GLU 91 -4.471 -0.083 -9.195 645 2HG GLU 91 2HG GLU 91 -2.246 -1.738 -9.759 646 HE2 GLU 91 HE GLU 91 -4.494 -3.175 -11.797 647 H LYS 92 H LYS 92 -3.954 2.305 -7.216 648 HA LYS 92 HA LYS 92 -6.303 3.477 -8.449 649 2HB LYS 92 2HB LYS 92 -6.462 2.021 -6.428 650 2HG LYS 92 2HG LYS 92 -5.757 4.178 -4.566 651 2HD LYS 92 2HD LYS 92 -4.640 2.335 -3.383 652 2HE LYS 92 2HE LYS 92 -7.369 1.950 -4.554 653 1HZ LYS 92 1HZ LYS 92 -7.508 -0.218 -3.380 654 2HZ LYS 92 2HZ LYS 92 -6.521 -0.299 -4.673 655 H ALA 93 H ALA 93 -3.156 4.400 -8.097 656 HA ALA 93 HA ALA 93 -3.741 7.116 -8.505 657 1HB ALA 93 1HB ALA 93 -2.947 8.094 -6.452 658 2HB ALA 93 2HB ALA 93 -4.206 6.912 -6.021 659 3HB ALA 93 3HB ALA 93 -2.487 6.501 -5.804 660 H SER 94 H SER 94 -2.420 6.373 -10.333 661 HA SER 94 HA SER 94 0.239 5.546 -9.760 662 2HB SER 94 2HB SER 94 -1.217 4.875 -11.787 663 HG SER 94 HG SER 94 -1.312 7.442 -12.241 664 H HIS 95 H HIS 95 -1.219 8.447 -9.334 665 HA HIS 95 HA HIS 95 0.761 10.079 -10.658 666 2HB HIS 95 2HB HIS 95 -0.567 11.935 -9.499 667 HD1 HIS 95 1HD HIS 95 -3.640 11.566 -10.428 668 HD2 HIS 95 2HD HIS 95 -0.207 10.618 -12.644 669 HE1 HIS 95 1HE HIS 95 -4.340 11.603 -12.882 670 H ARG 96 H ARG 96 -0.509 10.472 -7.307 671 HA ARG 96 HA ARG 96 2.259 10.711 -6.484 672 2HB ARG 96 2HB ARG 96 1.515 12.144 -4.741 673 2HG ARG 96 2HG ARG 96 -0.857 12.857 -6.357 674 2HD ARG 96 2HD ARG 96 0.565 14.352 -4.797 675 HE ARG 96 HE ARG 96 2.597 13.688 -6.769 676 1HH1 ARG 96 2HH2 ARG 96 1.475 16.279 -4.627 677 2HH1 ARG 96 1HH2 ARG 96 3.030 17.036 -4.524 678 2HH2 ARG 96 1HH ARG 96 4.881 16.083 -5.712 679 H ILE 97 H ILE 97 3.099 8.837 -5.615 680 HA ILE 97 HA ILE 97 1.268 7.203 -3.998 681 HB ILE 97 HB ILE 97 3.734 6.153 -5.347 682 2HG1 ILE 97 2HG1 ILE 97 1.361 7.146 -6.679 683 1HG2 ILE 97 1HG2 ILE 97 1.526 5.077 -3.773 684 2HG2 ILE 97 2HG2 ILE 97 1.752 4.220 -5.316 685 3HG2 ILE 97 3HG2 ILE 97 3.108 4.366 -4.173 686 1HD1 ILE 97 1HD1 ILE 97 3.591 7.549 -7.548 687 2HD1 ILE 97 2HD1 ILE 97 3.961 5.807 -7.548 688 3HD1 ILE 97 3HD1 ILE 97 2.761 6.463 -8.688 689 H VAL 98 H VAL 98 2.631 5.798 -2.353 690 HA VAL 98 HA VAL 98 4.310 7.729 -0.947 691 HB VAL 98 HB VAL 98 2.541 7.007 0.390 692 1HG1 VAL 98 1HG1 VAL 98 1.536 5.223 -0.720 693 2HG1 VAL 98 2HG1 VAL 98 3.048 4.286 -0.801 694 3HG1 VAL 98 3HG1 VAL 98 2.186 4.452 0.747 695 1HG2 VAL 98 1HG2 VAL 98 5.065 5.462 1.002 696 2HG2 VAL 98 2HG2 VAL 98 4.466 6.967 1.740 697 3HG2 VAL 98 3HG2 VAL 98 3.654 5.421 2.087 698 H HIS 99 H HIS 99 6.416 7.190 -0.206 699 HA HIS 99 HA HIS 99 7.515 4.821 -1.536 700 2HB HIS 99 2HB HIS 99 9.670 6.104 -1.593 701 HD1 HIS 99 1HD HIS 99 8.069 9.052 -2.838 702 HD2 HIS 99 2HD HIS 99 8.341 5.080 -4.159 703 HE1 HIS 99 1HE HIS 99 7.507 9.087 -5.327 704 H ARG 100 H ARG 100 9.910 4.488 -0.338 705 HA ARG 100 HA ARG 100 9.461 4.702 2.502 706 2HB ARG 100 2HB ARG 100 8.564 2.502 2.133 707 2HG ARG 100 2HG ARG 100 10.173 0.797 0.904 708 2HD ARG 100 2HD ARG 100 8.189 2.750 -0.173 709 HE ARG 100 HE ARG 100 10.372 1.965 -1.859 710 1HH1 ARG 100 2HH2 ARG 100 6.831 2.090 -1.880 711 2HH1 ARG 100 1HH2 ARG 100 6.723 2.241 -3.602 712 2HH2 ARG 100 1HH ARG 100 8.734 2.284 -4.906 713 H VAL 101 H VAL 101 11.385 5.196 3.564 714 HA VAL 101 HA VAL 101 13.849 4.781 2.016 715 HB VAL 101 HB VAL 101 13.232 7.120 2.096 716 1HG1 VAL 101 1HG1 VAL 101 13.342 8.230 4.453 717 2HG1 VAL 101 2HG1 VAL 101 11.838 7.431 3.935 718 3HG1 VAL 101 3HG1 VAL 101 12.949 6.600 5.050 719 1HG2 VAL 101 1HG2 VAL 101 15.504 6.664 4.052 720 2HG2 VAL 101 2HG2 VAL 101 15.640 6.395 2.298 721 3HG2 VAL 101 3HG2 VAL 101 15.288 8.024 2.924 722 H VAL 102 H VAL 102 15.752 4.195 3.230 723 HA VAL 102 HA VAL 102 15.164 3.302 5.962 724 HB VAL 102 HB VAL 102 15.037 1.449 4.293 725 1HG1 VAL 102 1HG1 VAL 102 18.027 1.551 4.032 726 2HG1 VAL 102 2HG1 VAL 102 16.817 0.771 2.986 727 3HG1 VAL 102 3HG1 VAL 102 17.021 2.539 2.946 728 1HG2 VAL 102 1HG2 VAL 102 15.991 1.421 6.808 729 2HG2 VAL 102 2HG2 VAL 102 15.870 -0.041 5.799 730 3HG2 VAL 102 3HG2 VAL 102 17.426 0.809 5.951 731 H LYS 103 H LYS 103 16.171 5.337 6.610 732 HA LYS 103 HA LYS 103 18.859 5.048 7.213 733 2HB LYS 103 2HB LYS 103 18.669 7.234 5.185 734 2HG LYS 103 2HG LYS 103 20.672 6.221 6.816 735 2HD LYS 103 2HD LYS 103 21.369 5.252 4.029 736 2HE LYS 103 2HE LYS 103 22.816 3.705 5.567 737 1HZ LYS 103 1HZ LYS 103 24.331 5.750 5.982 738 2HZ LYS 103 2HZ LYS 103 23.999 5.350 4.440 739 H SER 104 H SER 104 16.110 7.242 6.499 740 HA SER 104 HA SER 104 16.669 8.482 9.066 741 2HB SER 104 2HB SER 104 15.490 10.368 7.152 742 HG SER 104 HG SER 104 17.196 10.363 9.268 743 H ASP 105 H ASP 105 14.558 10.032 9.540 744 HA ASP 105 HA ASP 105 12.391 8.170 9.418 745 2HB ASP 105 2HB ASP 105 12.001 10.917 10.549 746 HD2 ASP 105 HD ASP 105 12.006 9.868 13.161 747 H PHE 106 H PHE 106 10.416 8.539 8.258 748 HA PHE 106 HA PHE 106 10.222 11.059 6.793 749 2HB PHE 106 2HB PHE 106 9.443 8.438 5.487 750 HD1 PHE 106 1HD PHE 106 11.399 11.596 5.128 751 HD2 PHE 106 2HD PHE 106 8.888 8.728 3.264 752 HE1 PHE 106 1HE PHE 106 11.331 13.005 3.051 753 HE2 PHE 106 2HE PHE 106 8.819 10.137 1.187 754 HZ PHE 106 HZ PHE 106 10.043 12.258 1.106 755 H GLU 107 H GLU 107 7.965 11.293 5.774 756 HA GLU 107 HA GLU 107 5.973 9.698 7.101 757 2HB GLU 107 2HB GLU 107 4.779 11.967 7.718 758 2HG GLU 107 2HG GLU 107 7.101 11.593 9.542 759 HE2 GLU 107 HE GLU 107 6.305 12.145 11.478 760 H ILE 108 H ILE 108 4.008 9.601 5.929 761 HA ILE 108 HA ILE 108 3.815 11.362 3.605 762 HB ILE 108 HB ILE 108 3.203 8.469 3.238 763 2HG1 ILE 108 2HG1 ILE 108 5.949 9.623 3.545 764 1HG2 ILE 108 1HG2 ILE 108 4.338 10.564 1.366 765 2HG2 ILE 108 2HG2 ILE 108 3.725 8.949 0.936 766 3HG2 ILE 108 3HG2 ILE 108 2.607 10.190 1.548 767 1HD1 ILE 108 1HD1 ILE 108 5.997 8.001 5.119 768 2HD1 ILE 108 2HD1 ILE 108 4.348 7.500 4.672 769 3HD1 ILE 108 3HD1 ILE 108 5.751 6.781 3.846 770 H GLY 109 H GLY 109 1.668 11.811 2.955 771 1HA GLY 109 1HA GLY 109 -0.516 10.469 4.318 772 2HA GLY 109 2HA GLY 109 -0.254 12.138 4.785 773 H VAL 110 H VAL 110 -2.631 11.188 3.466 774 HA VAL 110 HA VAL 110 -2.578 12.968 1.200 775 HB VAL 110 HB VAL 110 -2.214 10.190 0.829 776 1HG1 VAL 110 1HG1 VAL 110 -4.722 10.079 1.167 777 2HG1 VAL 110 2HG1 VAL 110 -4.886 11.061 -0.310 778 3HG1 VAL 110 3HG1 VAL 110 -4.127 9.452 -0.390 779 1HG2 VAL 110 1HG2 VAL 110 -3.015 12.262 -1.237 780 2HG2 VAL 110 2HG2 VAL 110 -1.379 12.112 -0.554 781 3HG2 VAL 110 3HG2 VAL 110 -2.075 10.774 -1.498 782 H THR 111 H THR 111 -4.880 13.261 0.336 783 HA THR 111 HA THR 111 -6.773 12.844 2.557 784 HB THR 111 HB THR 111 -7.727 15.030 1.913 785 HG1 THR 111 1HG THR 111 -5.508 15.070 0.005 786 1HG2 THR 111 1HG2 THR 111 -4.676 15.286 1.870 787 2HG2 THR 111 2HG2 THR 111 -5.846 16.536 2.357 788 3HG2 THR 111 3HG2 THR 111 -5.623 15.085 3.364 789 H ARG 112 H ARG 112 -6.057 12.460 -0.864 790 HA ARG 112 HA ARG 112 -8.480 10.930 -1.049 791 2HB ARG 112 2HB ARG 112 -9.585 12.304 -2.498 792 2HG ARG 112 2HG ARG 112 -7.272 14.122 -1.720 793 2HD ARG 112 2HD ARG 112 -8.603 14.545 -4.062 794 HE ARG 112 HE ARG 112 -10.818 15.022 -3.444 795 1HH1 ARG 112 2HH2 ARG 112 -8.611 16.671 -1.217 796 2HH1 ARG 112 1HH2 ARG 112 -9.866 17.590 -0.456 797 2HH2 ARG 112 1HH ARG 112 -12.131 17.317 -1.192 798 H ASP 113 H ASP 113 -5.584 12.258 -2.798 799 HA ASP 113 HA ASP 113 -4.216 10.036 -3.135 800 2HB ASP 113 2HB ASP 113 -5.150 9.803 -5.788 801 HD2 ASP 113 HD ASP 113 -3.631 7.911 -4.184 802 H GLY 114 H GLY 114 -5.579 13.000 -4.469 803 1HA GLY 114 1HA GLY 114 -3.614 13.434 -6.508 804 2HA GLY 114 2HA GLY 114 -4.792 14.575 -5.892 805 H GLU 115 H GLU 115 -4.353 15.468 -3.599 806 HA GLU 115 HA GLU 115 -1.623 16.311 -3.589 807 2HB GLU 115 2HB GLU 115 -2.328 17.957 -1.975 808 2HG GLU 115 2HG GLU 115 -4.655 18.663 -3.012 809 HE2 GLU 115 HE GLU 115 -3.199 19.788 -5.965 810 H ILE 116 H ILE 116 -0.018 15.715 -2.131 811 HA ILE 116 HA ILE 116 -0.859 13.937 0.045 812 HB ILE 116 HB ILE 116 0.696 12.340 -0.451 813 2HG1 ILE 116 2HG1 ILE 116 2.199 14.508 -1.900 814 1HG2 ILE 116 1HG2 ILE 116 0.422 13.044 -3.316 815 2HG2 ILE 116 2HG2 ILE 116 0.018 11.542 -2.450 816 3HG2 ILE 116 3HG2 ILE 116 -1.088 12.935 -2.381 817 1HD1 ILE 116 1HD1 ILE 116 3.957 12.964 -0.448 818 2HD1 ILE 116 2HD1 ILE 116 3.168 14.433 0.173 819 3HD1 ILE 116 3HD1 ILE 116 2.482 12.832 0.539 820 H ILE 117 H ILE 117 1.033 13.715 1.703 821 HA ILE 117 HA ILE 117 2.473 16.262 1.854 822 HB ILE 117 HB ILE 117 1.977 16.285 4.297 823 2HG1 ILE 117 2HG1 ILE 117 0.349 13.911 3.520 824 1HG2 ILE 117 1HG2 ILE 117 -0.606 16.498 2.779 825 2HG2 ILE 117 2HG2 ILE 117 0.068 17.562 4.036 826 3HG2 ILE 117 3HG2 ILE 117 0.757 17.575 2.395 827 1HD1 ILE 117 1HD1 ILE 117 1.524 12.998 5.230 828 2HD1 ILE 117 2HD1 ILE 117 2.469 14.505 5.293 829 3HD1 ILE 117 3HD1 ILE 117 1.037 14.309 6.332 830 H VAL 118 H VAL 118 4.564 16.124 2.685 831 HA VAL 118 HA VAL 118 5.396 13.453 3.560 832 HB VAL 118 HB VAL 118 5.942 13.743 1.190 833 1HG1 VAL 118 1HG1 VAL 118 7.199 15.485 0.307 834 2HG1 VAL 118 2HG1 VAL 118 6.198 16.327 1.514 835 3HG1 VAL 118 3HG1 VAL 118 7.892 15.927 1.886 836 1HG2 VAL 118 1HG2 VAL 118 7.979 12.739 1.378 837 2HG2 VAL 118 2HG2 VAL 118 8.614 13.978 2.486 838 3HG2 VAL 118 3HG2 VAL 118 7.524 12.712 3.099 839 H ASP 119 H ASP 119 7.326 13.474 4.942 840 HA ASP 119 HA ASP 119 8.367 15.959 5.764 841 2HB ASP 119 2HB ASP 119 6.993 14.486 8.010 842 HD2 ASP 119 HD ASP 119 7.919 16.183 9.945 843 H LEU 120 H LEU 120 9.837 15.474 7.874 844 HA LEU 120 HA LEU 120 10.933 12.777 7.500 845 2HB LEU 120 2HB LEU 120 12.151 15.215 7.163 846 HG LEU 120 HG LEU 120 12.232 15.080 9.868 847 1HD1 LEU 120 1HD1 LEU 120 14.962 14.061 9.347 848 2HD1 LEU 120 2HD1 LEU 120 13.898 13.850 10.758 849 3HD1 LEU 120 3HD1 LEU 120 13.656 12.853 9.304 850 1HD2 LEU 120 1HD2 LEU 120 13.005 16.908 8.348 851 2HD2 LEU 120 2HD2 LEU 120 14.034 16.652 9.777 852 3HD2 LEU 120 3HD2 LEU 120 14.555 16.050 8.185 853 H ASN 121 H ASN 121 8.630 13.808 9.260 854 HA ASN 121 HA ASN 121 7.847 13.396 11.238 855 2HB ASN 121 2HB ASN 121 10.280 11.570 11.312 856 1HD2 ASN 121 1HD2 ASN 121 11.211 11.829 13.254 857 2HD2 ASN 121 2HD2 ASN 121 10.428 11.594 14.781 858 H SER 122 H SER 122 7.924 14.451 13.310 859 HA SER 122 HA SER 122 10.464 15.273 14.327 860 2HB SER 122 2HB SER 122 8.514 17.220 13.088 861 HG SER 122 HG SER 122 8.673 18.128 15.131 Start of MODEL 2 1 H MET 1 H MET 1 4.241 -11.969 -10.334 2 HA MET 1 HA MET 1 5.387 -12.008 -8.203 3 2HB MET 1 2HB MET 1 6.397 -14.653 -9.384 4 2HG MET 1 2HG MET 1 7.318 -14.412 -6.734 5 1HE MET 1 1HE MET 1 11.054 -14.684 -7.633 6 2HE MET 1 2HE MET 1 9.979 -13.692 -6.617 7 3HE MET 1 3HE MET 1 9.836 -15.467 -6.597 8 H ARG 2 H ARG 2 6.820 -13.377 -11.256 9 HA ARG 2 HA ARG 2 9.223 -12.324 -11.232 10 2HB ARG 2 2HB ARG 2 7.374 -12.104 -13.660 11 2HG ARG 2 2HG ARG 2 10.315 -11.955 -13.223 12 2HD ARG 2 2HD ARG 2 9.911 -14.289 -14.252 13 HE ARG 2 HE ARG 2 8.190 -12.916 -15.972 14 1HH1 ARG 2 2HH2 ARG 2 11.061 -14.950 -16.394 15 2HH1 ARG 2 1HH2 ARG 2 10.575 -15.526 -17.954 16 2HH2 ARG 2 1HH ARG 2 8.508 -14.764 -18.896 17 H GLU 3 H GLU 3 6.336 -10.539 -12.569 18 HA GLU 3 HA GLU 3 7.723 -8.154 -12.894 19 2HB GLU 3 2HB GLU 3 5.610 -8.702 -14.070 20 2HG GLU 3 2HG GLU 3 3.782 -7.871 -11.956 21 HE2 GLU 3 HE GLU 3 3.237 -11.446 -13.549 22 H ARG 4 H ARG 4 8.190 -6.464 -11.512 23 HA ARG 4 HA ARG 4 8.341 -6.789 -8.887 24 2HB ARG 4 2HB ARG 4 9.372 -4.874 -9.987 25 2HG ARG 4 2HG ARG 4 7.313 -2.971 -10.281 26 2HD ARG 4 2HD ARG 4 9.001 -4.634 -12.163 27 HE ARG 4 HE ARG 4 6.512 -3.409 -12.951 28 1HH1 ARG 4 2HH2 ARG 4 9.884 -3.732 -13.991 29 2HH1 ARG 4 1HH2 ARG 4 9.518 -3.507 -15.669 30 2HH2 ARG 4 1HH ARG 4 7.245 -3.144 -16.336 31 H GLY 5 H GLY 5 7.114 -5.618 -7.044 32 1HA GLY 5 1HA GLY 5 5.111 -4.709 -6.215 33 2HA GLY 5 2HA GLY 5 4.240 -5.336 -7.599 34 H TRP 6 H TRP 6 5.221 -5.912 -4.330 35 HA TRP 6 HA TRP 6 5.090 -7.674 -2.965 36 2HB TRP 6 2HB TRP 6 2.908 -7.537 -2.601 37 HD1 TRP 6 HD TRP 6 1.908 -5.263 -3.622 38 HE1 TRP 6 1HE TRP 6 0.462 -4.605 -5.729 39 HE3 TRP 6 3HE TRP 6 2.499 -9.684 -6.062 40 HZ2 TRP 6 2HZ TRP 6 -0.256 -5.977 -8.126 41 HZ3 TRP 6 3HZ TRP 6 1.392 -9.943 -8.282 42 HH2 TRP 6 HH TRP 6 0.052 -8.180 -9.315 43 H SER 7 H SER 7 6.849 -8.152 -5.125 44 HA SER 7 HA SER 7 6.204 -10.522 -6.465 45 2HB SER 7 2HB SER 7 8.772 -8.985 -5.982 46 HG SER 7 HG SER 7 9.957 -10.553 -6.847 47 H GLN 8 H GLN 8 8.952 -10.035 -4.135 48 HA GLN 8 HA GLN 8 8.034 -12.208 -2.540 49 2HB GLN 8 2HB GLN 8 9.139 -13.433 -4.391 50 2HG GLN 8 2HG GLN 8 11.169 -11.345 -3.986 51 1HE2 GLN 8 1HE2 GLN 8 13.277 -11.495 -3.633 52 2HE2 GLN 8 2HE2 GLN 8 14.155 -12.943 -3.271 53 H LYS 9 H LYS 9 8.205 -9.705 -1.649 54 HA LYS 9 HA LYS 9 10.788 -8.918 -0.811 55 2HB LYS 9 2HB LYS 9 9.456 -7.331 0.646 56 2HG LYS 9 2HG LYS 9 8.249 -6.349 -1.535 57 2HD LYS 9 2HD LYS 9 11.138 -6.538 -0.760 58 2HE LYS 9 2HE LYS 9 11.064 -4.782 -2.986 59 1HZ LYS 9 1HZ LYS 9 13.047 -5.854 -2.809 60 2HZ LYS 9 2HZ LYS 9 12.412 -7.238 -2.232 61 H LYS 10 H LYS 10 7.988 -9.771 1.327 62 HA LYS 10 HA LYS 10 9.573 -11.745 2.680 63 2HB LYS 10 2HB LYS 10 8.716 -9.889 4.720 64 2HG LYS 10 2HG LYS 10 11.608 -10.224 4.231 65 2HD LYS 10 2HD LYS 10 9.913 -9.919 6.419 66 2HE LYS 10 2HE LYS 10 10.106 -12.750 5.873 67 1HZ LYS 10 1HZ LYS 10 11.890 -11.772 7.939 68 2HZ LYS 10 2HZ LYS 10 10.900 -12.969 8.426 69 H ILE 11 H ILE 11 6.948 -9.661 3.996 70 HA ILE 11 HA ILE 11 5.360 -11.966 4.495 71 HB ILE 11 HB ILE 11 4.591 -9.055 4.683 72 2HG1 ILE 11 2HG1 ILE 11 6.658 -9.339 5.895 73 1HG2 ILE 11 1HG2 ILE 11 3.507 -10.854 6.683 74 2HG2 ILE 11 2HG2 ILE 11 2.674 -9.731 5.582 75 3HG2 ILE 11 3HG2 ILE 11 3.081 -11.376 5.035 76 1HD1 ILE 11 1HD1 ILE 11 4.154 -8.676 7.118 77 2HD1 ILE 11 2HD1 ILE 11 5.098 -9.601 8.310 78 3HD1 ILE 11 3HD1 ILE 11 5.779 -8.125 7.587 79 H ALA 12 H ALA 12 6.064 -10.322 1.665 80 HA ALA 12 HA ALA 12 3.756 -9.772 0.386 81 1HB ALA 12 1HB ALA 12 5.390 -11.290 -1.411 82 2HB ALA 12 2HB ALA 12 5.275 -9.522 -1.248 83 3HB ALA 12 3HB ALA 12 6.468 -10.428 -0.287 84 H ARG 13 H ARG 13 4.919 -12.926 1.491 85 HA ARG 13 HA ARG 13 3.342 -14.472 -0.185 86 2HB ARG 13 2HB ARG 13 3.599 -15.890 2.256 87 2HG ARG 13 2HG ARG 13 5.953 -16.422 0.877 88 2HD ARG 13 2HD ARG 13 3.140 -17.428 0.219 89 HE ARG 13 HE ARG 13 5.811 -18.323 -0.665 90 1HH1 ARG 13 2HH2 ARG 13 2.402 -19.190 -0.245 91 2HH1 ARG 13 1HH2 ARG 13 2.466 -20.499 -1.379 92 2HH2 ARG 13 1HH ARG 13 4.532 -20.985 -2.492 93 H GLU 14 H GLU 14 2.871 -13.461 3.285 94 HA GLU 14 HA GLU 14 0.334 -14.554 3.492 95 2HB GLU 14 2HB GLU 14 0.892 -12.131 5.128 96 2HG GLU 14 2HG GLU 14 -0.842 -13.944 5.617 97 HE2 GLU 14 HE GLU 14 2.089 -16.517 6.560 98 H LEU 15 H LEU 15 1.512 -11.653 1.933 99 HA LEU 15 HA LEU 15 -0.983 -10.254 2.059 100 2HB LEU 15 2HB LEU 15 0.283 -8.905 0.205 101 HG LEU 15 HG LEU 15 -0.017 -8.197 2.634 102 1HD1 LEU 15 1HD1 LEU 15 1.610 -10.135 3.348 103 2HD1 LEU 15 2HD1 LEU 15 2.862 -8.903 3.059 104 3HD1 LEU 15 3HD1 LEU 15 1.569 -8.597 4.244 105 1HD2 LEU 15 1HD2 LEU 15 0.772 -6.571 1.141 106 2HD2 LEU 15 2HD2 LEU 15 1.941 -6.558 2.484 107 3HD2 LEU 15 3HD2 LEU 15 2.351 -7.373 0.955 108 H LYS 16 H LYS 16 0.912 -11.836 -0.612 109 HA LYS 16 HA LYS 16 -1.001 -11.614 -2.556 110 2HB LYS 16 2HB LYS 16 1.344 -12.344 -2.881 111 2HG LYS 16 2HG LYS 16 0.261 -14.886 -1.599 112 2HD LYS 16 2HD LYS 16 2.998 -14.834 -2.825 113 2HE LYS 16 2HE LYS 16 0.802 -16.862 -2.291 114 1HZ LYS 16 1HZ LYS 16 2.531 -16.911 -4.499 115 2HZ LYS 16 2HZ LYS 16 3.057 -18.051 -3.462 116 H THR 17 H THR 17 -0.865 -13.772 0.254 117 HA THR 17 HA THR 17 -2.931 -15.506 -0.742 118 HB THR 17 HB THR 17 -1.527 -15.131 1.952 119 HG1 THR 17 1HG THR 17 -0.482 -17.069 1.109 120 1HG2 THR 17 1HG2 THR 17 -3.394 -17.366 0.994 121 2HG2 THR 17 2HG2 THR 17 -2.451 -17.381 2.504 122 3HG2 THR 17 3HG2 THR 17 -3.771 -16.206 2.290 123 H THR 18 H THR 18 -2.743 -12.468 1.041 124 HA THR 18 HA THR 18 -5.498 -12.718 1.927 125 HB THR 18 HB THR 18 -3.271 -11.564 3.024 126 HG1 THR 18 1HG THR 18 -5.462 -11.899 3.928 127 1HG2 THR 18 1HG2 THR 18 -4.866 -9.325 1.668 128 2HG2 THR 18 2HG2 THR 18 -3.616 -9.095 2.914 129 3HG2 THR 18 3HG2 THR 18 -3.170 -9.734 1.314 130 H ARG 19 H ARG 19 -7.243 -12.047 0.846 131 HA ARG 19 HA ARG 19 -7.360 -9.755 -0.607 132 2HB ARG 19 2HB ARG 19 -5.850 -10.728 -2.267 133 2HG ARG 19 2HG ARG 19 -7.681 -12.931 -3.064 134 2HD ARG 19 2HD ARG 19 -4.840 -13.491 -2.426 135 HE ARG 19 HE ARG 19 -6.762 -14.102 -4.548 136 1HH1 ARG 19 2HH2 ARG 19 -3.330 -14.138 -3.669 137 2HH1 ARG 19 1HH2 ARG 19 -2.921 -15.370 -4.817 138 2HH2 ARG 19 1HH ARG 19 -4.639 -16.289 -6.214 139 H GLN 20 H GLN 20 -9.153 -10.496 1.103 140 HA GLN 20 HA GLN 20 -11.028 -12.377 0.178 141 2HB GLN 20 2HB GLN 20 -12.388 -10.833 2.033 142 2HG GLN 20 2HG GLN 20 -10.312 -13.013 2.562 143 1HE2 GLN 20 1HE2 GLN 20 -10.841 -14.297 4.436 144 2HE2 GLN 20 2HE2 GLN 20 -11.536 -13.558 5.840 145 H ASN 21 H ASN 21 -10.863 -11.095 -2.081 146 HA ASN 21 HA ASN 21 -11.799 -9.829 -3.582 147 2HB ASN 21 2HB ASN 21 -14.300 -9.742 -3.565 148 1HD2 ASN 21 1HD2 ASN 21 -13.910 -11.247 -5.121 149 2HD2 ASN 21 2HD2 ASN 21 -13.818 -12.952 -4.831 150 H VAL 22 H VAL 22 -10.695 -8.479 -1.106 151 HA VAL 22 HA VAL 22 -12.418 -6.106 -1.015 152 HB VAL 22 HB VAL 22 -11.935 -7.318 1.103 153 1HG1 VAL 22 1HG1 VAL 22 -9.083 -6.410 0.587 154 2HG1 VAL 22 2HG1 VAL 22 -9.687 -7.115 2.104 155 3HG1 VAL 22 3HG1 VAL 22 -9.668 -8.090 0.616 156 1HG2 VAL 22 1HG2 VAL 22 -12.156 -5.368 2.187 157 2HG2 VAL 22 2HG2 VAL 22 -10.562 -4.790 1.643 158 3HG2 VAL 22 3HG2 VAL 22 -11.986 -4.590 0.595 159 H SER 23 H SER 23 -10.019 -7.285 -2.867 160 HA SER 23 HA SER 23 -9.256 -4.845 -3.829 161 2HB SER 23 2HB SER 23 -6.700 -5.709 -2.746 162 HG SER 23 HG SER 23 -6.592 -3.524 -2.116 163 H ALA 24 H ALA 24 -7.039 -7.605 -3.036 164 HA ALA 24 HA ALA 24 -5.861 -8.918 -4.401 165 1HB ALA 24 1HB ALA 24 -8.579 -9.567 -4.436 166 2HB ALA 24 2HB ALA 24 -8.104 -9.621 -6.151 167 3HB ALA 24 3HB ALA 24 -7.237 -10.616 -4.955 168 H ILE 25 H ILE 25 -5.125 -6.520 -5.157 169 HA ILE 25 HA ILE 25 -5.878 -5.843 -7.811 170 HB ILE 25 HB ILE 25 -3.548 -4.935 -6.116 171 2HG1 ILE 25 2HG1 ILE 25 -5.601 -4.474 -4.958 172 1HG2 ILE 25 1HG2 ILE 25 -2.840 -3.816 -7.892 173 2HG2 ILE 25 2HG2 ILE 25 -4.195 -4.439 -8.865 174 3HG2 ILE 25 3HG2 ILE 25 -4.387 -2.936 -7.933 175 1HD1 ILE 25 1HD1 ILE 25 -3.916 -2.402 -6.070 176 2HD1 ILE 25 2HD1 ILE 25 -5.586 -1.795 -5.958 177 3HD1 ILE 25 3HD1 ILE 25 -4.768 -2.421 -4.506 178 H GLU 26 H GLU 26 -3.391 -7.875 -6.284 179 HA GLU 26 HA GLU 26 -1.751 -8.031 -8.544 180 2HB GLU 26 2HB GLU 26 -0.867 -8.599 -6.361 181 2HG GLU 26 2HG GLU 26 -3.298 -9.662 -5.765 182 HE2 GLU 26 HE GLU 26 -3.096 -12.037 -4.531 183 H ARG 27 H ARG 27 -4.380 -10.154 -7.232 184 HA ARG 27 HA ARG 27 -4.139 -12.082 -9.193 185 2HB ARG 27 2HB ARG 27 -6.855 -12.083 -8.455 186 2HG ARG 27 2HG ARG 27 -6.084 -13.725 -6.674 187 2HD ARG 27 2HD ARG 27 -4.407 -14.771 -8.746 188 HE ARG 27 HE ARG 27 -7.152 -15.262 -7.763 189 1HH1 ARG 27 2HH2 ARG 27 -4.538 -16.333 -9.903 190 2HH1 ARG 27 1HH2 ARG 27 -5.154 -17.944 -10.053 191 2HH2 ARG 27 1HH ARG 27 -7.170 -18.543 -8.904 192 H LYS 28 H LYS 28 -6.448 -9.285 -8.866 193 HA LYS 28 HA LYS 28 -7.777 -9.701 -11.267 194 2HB LYS 28 2HB LYS 28 -8.176 -7.123 -10.991 195 2HG LYS 28 2HG LYS 28 -9.692 -7.659 -8.981 196 2HD LYS 28 2HD LYS 28 -9.687 -8.911 -11.670 197 2HE LYS 28 2HE LYS 28 -11.751 -9.979 -9.737 198 1HZ LYS 28 1HZ LYS 28 -11.663 -11.783 -11.428 199 2HZ LYS 28 2HZ LYS 28 -12.066 -10.351 -12.091 200 H ALA 29 H ALA 29 -5.030 -7.433 -10.527 201 HA ALA 29 HA ALA 29 -4.625 -6.386 -12.975 202 1HB ALA 29 1HB ALA 29 -2.625 -7.333 -10.890 203 2HB ALA 29 2HB ALA 29 -2.179 -6.330 -12.291 204 3HB ALA 29 3HB ALA 29 -3.319 -5.704 -11.075 205 H MET 30 H MET 30 -2.943 -9.394 -11.797 206 HA MET 30 HA MET 30 -1.901 -10.032 -14.259 207 2HB MET 30 2HB MET 30 -2.572 -12.412 -12.679 208 2HG MET 30 2HG MET 30 0.053 -11.951 -12.148 209 1HE MET 30 1HE MET 30 -0.214 -14.074 -11.949 210 2HE MET 30 2HE MET 30 -1.340 -15.034 -12.938 211 3HE MET 30 3HE MET 30 0.415 -15.171 -13.203 212 H GLU 31 H GLU 31 -5.170 -10.272 -13.072 213 HA GLU 31 HA GLU 31 -5.892 -12.389 -14.839 214 2HB GLU 31 2HB GLU 31 -8.226 -11.021 -13.961 215 2HG GLU 31 2HG GLU 31 -8.133 -12.994 -12.210 216 HE2 GLU 31 HE GLU 31 -7.263 -14.973 -14.480 217 H ASN 32 H ASN 32 -4.606 -10.515 -16.388 218 HA ASN 32 HA ASN 32 -4.774 -9.128 -18.060 219 2HB ASN 32 2HB ASN 32 -7.026 -9.580 -19.481 220 1HD2 ASN 32 1HD2 ASN 32 -6.547 -12.719 -19.255 221 2HD2 ASN 32 2HD2 ASN 32 -5.133 -12.965 -20.226 222 H ILE 33 H ILE 33 -5.803 -8.077 -15.526 223 HA ILE 33 HA ILE 33 -8.286 -6.919 -15.630 224 HB ILE 33 HB ILE 33 -6.130 -6.930 -13.929 225 2HG1 ILE 33 2HG1 ILE 33 -8.252 -7.043 -13.004 226 1HG2 ILE 33 1HG2 ILE 33 -5.631 -4.604 -13.392 227 2HG2 ILE 33 2HG2 ILE 33 -5.135 -4.994 -15.055 228 3HG2 ILE 33 3HG2 ILE 33 -6.622 -4.059 -14.766 229 1HD1 ILE 33 1HD1 ILE 33 -8.453 -5.191 -11.448 230 2HD1 ILE 33 2HD1 ILE 33 -6.717 -5.477 -11.718 231 3HD1 ILE 33 3HD1 ILE 33 -7.532 -4.117 -12.529 232 H GLU 34 H GLU 34 -8.976 -4.698 -16.113 233 HA GLU 34 HA GLU 34 -7.251 -3.154 -17.771 234 2HB GLU 34 2HB GLU 34 -9.702 -3.496 -19.297 235 2HG GLU 34 2HG GLU 34 -6.726 -3.921 -19.767 236 HE2 GLU 34 HE GLU 34 -7.754 -6.349 -21.499 237 H LYS 35 H LYS 35 -10.784 -3.696 -17.064 238 HA LYS 35 HA LYS 35 -11.102 -1.597 -15.347 239 2HB LYS 35 2HB LYS 35 -10.453 0.038 -16.896 240 2HG LYS 35 2HG LYS 35 -12.321 -0.488 -19.088 241 2HD LYS 35 2HD LYS 35 -9.454 -0.739 -19.671 242 2HE LYS 35 2HE LYS 35 -11.544 0.141 -21.073 243 1HZ LYS 35 1HZ LYS 35 -11.916 1.996 -19.438 244 2HZ LYS 35 2HZ LYS 35 -10.513 2.671 -19.916 245 H SER 36 H SER 36 -12.268 -3.596 -14.687 246 HA SER 36 HA SER 36 -14.966 -3.427 -15.710 247 2HB SER 36 2HB SER 36 -14.308 -6.210 -15.154 248 HG SER 36 HG SER 36 -14.840 -5.304 -17.790 249 H ARG 37 H ARG 37 -12.778 -5.176 -13.383 250 HA ARG 37 HA ARG 37 -14.696 -5.708 -11.517 251 2HB ARG 37 2HB ARG 37 -11.950 -4.981 -10.525 252 2HG ARG 37 2HG ARG 37 -13.569 -6.247 -9.112 253 2HD ARG 37 2HD ARG 37 -13.514 -8.112 -11.506 254 HE ARG 37 HE ARG 37 -13.262 -9.035 -8.836 255 1HH1 ARG 37 2HH2 ARG 37 -15.463 -9.484 -11.575 256 2HH1 ARG 37 1HH2 ARG 37 -15.924 -11.085 -11.102 257 2HH2 ARG 37 1HH ARG 37 -14.976 -12.042 -9.120 258 H ASN 38 H ASN 38 -12.693 -2.771 -12.060 259 HA ASN 38 HA ASN 38 -12.604 -0.838 -11.045 260 2HB ASN 38 2HB ASN 38 -14.723 -0.587 -12.313 261 1HD2 ASN 38 1HD2 ASN 38 -16.305 -0.138 -9.327 262 2HD2 ASN 38 2HD2 ASN 38 -17.484 -1.403 -9.436 263 H THR 39 H THR 39 -11.991 -2.804 -9.167 264 HA THR 39 HA THR 39 -13.696 -2.626 -6.867 265 HB THR 39 HB THR 39 -10.905 -3.788 -7.370 266 HG1 THR 39 1HG THR 39 -12.432 -5.741 -7.220 267 1HG2 THR 39 1HG2 THR 39 -12.847 -4.021 -5.018 268 2HG2 THR 39 2HG2 THR 39 -11.581 -5.229 -5.345 269 3HG2 THR 39 3HG2 THR 39 -11.131 -3.551 -4.959 270 H LEU 40 H LEU 40 -10.158 -2.013 -6.832 271 HA LEU 40 HA LEU 40 -10.201 -0.301 -4.728 272 2HB LEU 40 2HB LEU 40 -8.207 -1.318 -5.699 273 HG LEU 40 HG LEU 40 -6.975 -0.276 -7.507 274 1HD1 LEU 40 1HD1 LEU 40 -8.196 -1.143 -9.382 275 2HD1 LEU 40 2HD1 LEU 40 -8.504 -2.190 -7.975 276 3HD1 LEU 40 3HD1 LEU 40 -9.738 -1.020 -8.501 277 1HD2 LEU 40 1HD2 LEU 40 -9.235 1.272 -8.600 278 2HD2 LEU 40 2HD2 LEU 40 -8.518 1.931 -7.110 279 3HD2 LEU 40 3HD2 LEU 40 -7.496 1.649 -8.540 280 H ASP 41 H ASP 41 -11.269 0.272 -8.027 281 HA ASP 41 HA ASP 41 -11.043 3.059 -7.946 282 2HB ASP 41 2HB ASP 41 -13.100 1.459 -9.526 283 HD2 ASP 41 HD ASP 41 -12.303 4.017 -12.058 284 H PHE 42 H PHE 42 -13.857 0.759 -7.606 285 HA PHE 42 HA PHE 42 -15.821 2.566 -7.055 286 2HB PHE 42 2HB PHE 42 -15.132 -0.271 -6.155 287 HD1 PHE 42 1HD PHE 42 -16.027 -1.171 -4.243 288 HD2 PHE 42 2HD PHE 42 -18.152 1.941 -6.194 289 HE1 PHE 42 1HE PHE 42 -17.825 -1.305 -2.497 290 HE2 PHE 42 2HE PHE 42 -19.950 1.808 -4.448 291 HZ PHE 42 HZ PHE 42 -19.765 0.187 -2.620 292 H VAL 43 H VAL 43 -13.335 1.199 -4.842 293 HA VAL 43 HA VAL 43 -14.524 2.440 -2.546 294 HB VAL 43 HB VAL 43 -12.651 0.403 -3.102 295 1HG1 VAL 43 1HG1 VAL 43 -10.835 1.001 -1.482 296 2HG1 VAL 43 2HG1 VAL 43 -10.820 1.963 -2.980 297 3HG1 VAL 43 3HG1 VAL 43 -11.455 2.668 -1.475 298 1HG2 VAL 43 1HG2 VAL 43 -13.333 -0.364 -1.082 299 2HG2 VAL 43 2HG2 VAL 43 -13.073 1.201 -0.276 300 3HG2 VAL 43 3HG2 VAL 43 -14.547 0.929 -1.237 301 H LYS 44 H LYS 44 -12.176 3.250 -5.061 302 HA LYS 44 HA LYS 44 -10.768 5.229 -3.693 303 2HB LYS 44 2HB LYS 44 -11.049 5.879 -6.478 304 2HG LYS 44 2HG LYS 44 -8.747 4.266 -5.425 305 2HD LYS 44 2HD LYS 44 -7.489 6.198 -6.452 306 2HE LYS 44 2HE LYS 44 -9.153 4.244 -7.825 307 1HZ LYS 44 1HZ LYS 44 -9.497 5.340 -9.855 308 2HZ LYS 44 2HZ LYS 44 -9.986 6.466 -8.785 309 H SER 45 H SER 45 -13.941 5.220 -5.348 310 HA SER 45 HA SER 45 -14.364 7.860 -5.636 311 2HB SER 45 2HB SER 45 -16.345 5.750 -4.670 312 HG SER 45 HG SER 45 -16.791 8.324 -4.819 313 H LEU 46 H LEU 46 -14.787 5.859 -2.648 314 HA LEU 46 HA LEU 46 -15.976 7.553 -0.958 315 2HB LEU 46 2HB LEU 46 -13.760 6.474 0.451 316 HG LEU 46 HG LEU 46 -16.515 5.269 0.063 317 1HD1 LEU 46 1HD1 LEU 46 -15.734 3.558 1.240 318 2HD1 LEU 46 2HD1 LEU 46 -14.171 4.370 1.496 319 3HD1 LEU 46 3HD1 LEU 46 -15.523 4.669 2.615 320 1HD2 LEU 46 1HD2 LEU 46 -17.365 6.594 1.714 321 2HD2 LEU 46 2HD2 LEU 46 -15.784 6.843 2.492 322 3HD2 LEU 46 3HD2 LEU 46 -16.190 7.724 0.999 323 H LYS 47 H LYS 47 -12.409 7.566 -1.657 324 HA LYS 47 HA LYS 47 -10.923 9.198 -1.591 325 2HB LYS 47 2HB LYS 47 -11.789 11.608 -1.681 326 2HG LYS 47 2HG LYS 47 -12.803 9.621 -3.769 327 2HD LYS 47 2HD LYS 47 -11.783 12.424 -4.296 328 2HE LYS 47 2HE LYS 47 -13.605 12.109 -6.148 329 1HZ LYS 47 1HZ LYS 47 -11.896 10.362 -7.198 330 2HZ LYS 47 2HZ LYS 47 -11.534 11.944 -7.066 331 H SER 48 H SER 48 -10.840 7.955 0.632 332 HA SER 48 HA SER 48 -11.485 9.797 2.773 333 2HB SER 48 2HB SER 48 -10.626 7.668 4.133 334 HG SER 48 HG SER 48 -12.791 6.780 3.979 335 HA PRO 49 HA PRO 49 -7.268 10.834 3.151 336 2HB PRO 49 2HB PRO 49 -7.778 12.824 4.191 337 2HG PRO 49 2HG PRO 49 -9.871 12.897 5.157 338 2HD PRO 49 2HD PRO 49 -10.953 11.298 3.910 339 H VAL 50 H VAL 50 -5.245 10.188 3.929 340 HA VAL 50 HA VAL 50 -5.364 8.286 6.121 341 HB VAL 50 HB VAL 50 -4.269 7.601 3.385 342 1HG1 VAL 50 1HG1 VAL 50 -2.987 6.710 5.373 343 2HG1 VAL 50 2HG1 VAL 50 -4.455 5.814 5.827 344 3HG1 VAL 50 3HG1 VAL 50 -3.648 5.473 4.277 345 1HG2 VAL 50 1HG2 VAL 50 -6.059 5.706 3.713 346 2HG2 VAL 50 2HG2 VAL 50 -6.811 6.881 4.819 347 3HG2 VAL 50 3HG2 VAL 50 -6.548 7.308 3.111 348 H ARG 51 H ARG 51 -3.318 8.022 7.182 349 HA ARG 51 HA ARG 51 -1.149 9.566 6.105 350 2HB ARG 51 2HB ARG 51 -1.868 11.352 7.414 351 2HG ARG 51 2HG ARG 51 -2.838 10.585 9.867 352 2HD ARG 51 2HD ARG 51 -4.461 10.721 7.278 353 HE ARG 51 HE ARG 51 -5.341 10.300 9.937 354 1HH1 ARG 51 2HH2 ARG 51 -5.947 12.605 7.317 355 2HH1 ARG 51 1HH2 ARG 51 -7.566 12.951 7.827 356 2HH2 ARG 51 1HH ARG 51 -8.443 11.851 9.767 357 H ILE 52 H ILE 52 0.842 8.611 6.621 358 HA ILE 52 HA ILE 52 1.088 6.972 8.957 359 HB ILE 52 HB ILE 52 1.946 5.125 7.148 360 2HG1 ILE 52 2HG1 ILE 52 0.769 6.613 5.382 361 1HG2 ILE 52 1HG2 ILE 52 0.487 3.765 8.209 362 2HG2 ILE 52 2HG2 ILE 52 0.307 5.175 9.281 363 3HG2 ILE 52 3HG2 ILE 52 -0.886 4.878 7.994 364 1HD1 ILE 52 1HD1 ILE 52 1.536 4.158 5.167 365 2HD1 ILE 52 2HD1 ILE 52 -0.151 3.715 5.523 366 3HD1 ILE 52 3HD1 ILE 52 0.230 4.679 4.075 367 H LEU 53 H LEU 53 3.303 6.542 9.466 368 HA LEU 53 HA LEU 53 5.105 8.266 7.946 369 2HB LEU 53 2HB LEU 53 4.951 7.319 10.770 370 HG LEU 53 HG LEU 53 7.494 8.063 9.344 371 1HD1 LEU 53 1HD1 LEU 53 8.256 8.433 11.881 372 2HD1 LEU 53 2HD1 LEU 53 7.699 9.760 10.833 373 3HD1 LEU 53 3HD1 LEU 53 6.581 9.023 12.006 374 1HD2 LEU 53 1HD2 LEU 53 7.783 6.378 11.655 375 2HD2 LEU 53 2HD2 LEU 53 6.505 5.735 10.595 376 3HD2 LEU 53 3HD2 LEU 53 8.137 6.029 9.947 377 H CYS 54 H CYS 54 7.184 7.506 7.251 378 HA CYS 54 HA CYS 54 7.218 4.593 6.957 379 2HB CYS 54 2HB CYS 54 8.223 6.787 5.131 380 HG CYS 54 HG CYS 54 9.092 3.711 5.665 381 H ARG 55 H ARG 55 9.014 3.492 7.766 382 HA ARG 55 HA ARG 55 11.130 5.209 8.794 383 2HB ARG 55 2HB ARG 55 11.419 3.051 10.383 384 2HG ARG 55 2HG ARG 55 9.125 4.388 11.483 385 2HD ARG 55 2HD ARG 55 11.282 5.713 12.536 386 HE ARG 55 HE ARG 55 11.124 3.029 13.592 387 1HH1 ARG 55 2HH2 ARG 55 9.178 5.955 13.150 388 2HH1 ARG 55 1HH2 ARG 55 8.133 5.612 14.488 389 2HH2 ARG 55 1HH ARG 55 8.487 3.620 15.772 390 H ARG 56 H ARG 56 13.054 3.299 9.456 391 HA ARG 56 HA ARG 56 14.266 2.811 7.097 392 2HB ARG 56 2HB ARG 56 15.255 0.768 8.720 393 2HG ARG 56 2HG ARG 56 16.264 3.350 9.624 394 2HD ARG 56 2HD ARG 56 17.694 1.842 7.486 395 HE ARG 56 HE ARG 56 19.246 3.054 8.755 396 1HH1 ARG 56 2HH2 ARG 56 17.063 1.339 10.956 397 2HH1 ARG 56 1HH2 ARG 56 17.972 1.748 12.373 398 2HH2 ARG 56 1HH ARG 56 19.956 3.074 12.155 399 H GLY 57 H GLY 57 14.266 1.140 5.554 400 1HA GLY 57 1HA GLY 57 12.025 -0.485 5.278 401 2HA GLY 57 2HA GLY 57 13.548 -0.668 4.431 402 H ASP 58 H ASP 58 14.880 -0.872 7.284 403 HA ASP 58 HA ASP 58 14.801 -3.696 7.303 404 2HB ASP 58 2HB ASP 58 16.006 -1.851 9.411 405 HD2 ASP 58 HD ASP 58 17.484 -4.623 10.762 406 H THR 59 H THR 59 12.786 -1.262 8.554 407 HA THR 59 HA THR 59 11.807 -3.065 10.665 408 HB THR 59 HB THR 59 13.070 -0.554 11.028 409 HG1 THR 59 1HG THR 59 12.663 -1.296 13.112 410 1HG2 THR 59 1HG2 THR 59 11.350 0.900 11.902 411 2HG2 THR 59 2HG2 THR 59 10.785 0.431 10.281 412 3HG2 THR 59 3HG2 THR 59 10.103 -0.357 11.724 413 H LEU 60 H LEU 60 11.221 -2.038 7.655 414 HA LEU 60 HA LEU 60 8.736 -0.833 7.714 415 2HB LEU 60 2HB LEU 60 9.334 -2.844 5.607 416 HG LEU 60 HG LEU 60 7.508 -1.268 5.216 417 1HD1 LEU 60 1HD1 LEU 60 8.837 1.186 4.785 418 2HD1 LEU 60 2HD1 LEU 60 7.600 0.801 6.005 419 3HD1 LEU 60 3HD1 LEU 60 9.326 0.617 6.399 420 1HD2 LEU 60 1HD2 LEU 60 8.420 -0.222 3.079 421 2HD2 LEU 60 2HD2 LEU 60 9.985 -0.948 3.518 422 3HD2 LEU 60 3HD2 LEU 60 8.568 -1.988 3.242 423 H ASP 61 H ASP 61 9.657 -4.319 7.879 424 HA ASP 61 HA ASP 61 7.215 -5.428 7.643 425 2HB ASP 61 2HB ASP 61 9.411 -6.629 7.949 426 HD2 ASP 61 HD ASP 61 9.044 -8.065 10.568 427 H GLU 62 H GLU 62 8.847 -4.146 10.631 428 HA GLU 62 HA GLU 62 6.619 -4.717 12.266 429 2HB GLU 62 2HB GLU 62 8.505 -2.646 13.230 430 2HG GLU 62 2HG GLU 62 8.523 -5.332 14.455 431 HE2 GLU 62 HE GLU 62 9.916 -4.268 15.791 432 H ILE 63 H ILE 63 7.812 -1.895 10.418 433 HA ILE 63 HA ILE 63 6.135 0.012 11.604 434 HB ILE 63 HB ILE 63 8.160 -0.055 9.706 435 2HG1 ILE 63 2HG1 ILE 63 7.798 2.485 9.768 436 1HG2 ILE 63 1HG2 ILE 63 7.158 1.370 7.869 437 2HG2 ILE 63 2HG2 ILE 63 6.737 -0.360 7.843 438 3HG2 ILE 63 3HG2 ILE 63 5.562 0.834 8.447 439 1HD1 ILE 63 1HD1 ILE 63 6.018 3.372 10.888 440 2HD1 ILE 63 2HD1 ILE 63 5.250 1.790 10.612 441 3HD1 ILE 63 3HD1 ILE 63 6.080 2.119 12.151 442 H ILE 64 H ILE 64 5.556 -2.620 9.369 443 HA ILE 64 HA ILE 64 3.283 -1.546 8.104 444 HB ILE 64 HB ILE 64 4.326 -4.337 8.529 445 2HG1 ILE 64 2HG1 ILE 64 4.288 -3.809 5.836 446 1HG2 ILE 64 1HG2 ILE 64 1.938 -4.578 8.410 447 2HG2 ILE 64 2HG2 ILE 64 1.848 -3.482 7.010 448 3HG2 ILE 64 3HG2 ILE 64 2.642 -5.068 6.850 449 1HD1 ILE 64 1HD1 ILE 64 3.726 -1.430 6.185 450 2HD1 ILE 64 2HD1 ILE 64 5.075 -1.266 7.334 451 3HD1 ILE 64 3HD1 ILE 64 5.404 -1.586 5.614 452 H LYS 65 H LYS 65 3.743 -3.642 11.020 453 HA LYS 65 HA LYS 65 0.986 -3.848 11.551 454 2HB LYS 65 2HB LYS 65 2.744 -5.421 12.350 455 2HG LYS 65 2HG LYS 65 3.690 -2.943 13.657 456 2HD LYS 65 2HD LYS 65 3.097 -5.438 15.277 457 2HE LYS 65 2HE LYS 65 4.782 -4.062 16.918 458 1HZ LYS 65 1HZ LYS 65 4.906 -6.450 16.305 459 2HZ LYS 65 2HZ LYS 65 5.699 -6.074 14.933 460 H ARG 66 H ARG 66 3.526 -1.479 12.383 461 HA ARG 66 HA ARG 66 1.948 -0.201 14.326 462 2HB ARG 66 2HB ARG 66 3.719 1.720 13.767 463 2HG ARG 66 2HG ARG 66 5.490 0.390 15.027 464 2HD ARG 66 2HD ARG 66 2.748 1.016 15.884 465 HE ARG 66 HE ARG 66 2.415 -0.887 17.180 466 1HH1 ARG 66 2HH2 ARG 66 5.904 -0.308 16.969 467 2HH1 ARG 66 1HH2 ARG 66 6.312 -1.633 18.006 468 2HH2 ARG 66 1HH ARG 66 4.562 -2.988 18.925 469 H LEU 67 H LEU 67 2.521 0.169 10.806 470 HA LEU 67 HA LEU 67 1.178 2.668 10.613 471 2HB LEU 67 2HB LEU 67 1.180 1.920 8.116 472 HG LEU 67 HG LEU 67 3.992 2.003 9.076 473 1HD1 LEU 67 1HD1 LEU 67 2.380 2.948 6.796 474 2HD1 LEU 67 2HD1 LEU 67 3.644 4.075 7.345 475 3HD1 LEU 67 3HD1 LEU 67 4.076 2.414 6.871 476 1HD2 LEU 67 1HD2 LEU 67 3.114 3.387 10.781 477 2HD2 LEU 67 2HD2 LEU 67 3.753 4.484 9.532 478 3HD2 LEU 67 3HD2 LEU 67 2.000 4.201 9.655 479 H LEU 68 H LEU 68 0.285 -0.794 10.187 480 HA LEU 68 HA LEU 68 -2.169 -0.527 9.053 481 2HB LEU 68 2HB LEU 68 -0.721 -2.565 9.982 482 HG LEU 68 HG LEU 68 -1.655 -2.053 12.372 483 1HD1 LEU 68 1HD1 LEU 68 -3.959 -1.797 11.983 484 2HD1 LEU 68 2HD1 LEU 68 -4.047 -3.275 10.995 485 3HD1 LEU 68 3HD1 LEU 68 -3.791 -3.393 12.752 486 1HD2 LEU 68 1HD2 LEU 68 -2.149 -4.831 12.200 487 2HD2 LEU 68 2HD2 LEU 68 -0.909 -4.450 10.982 488 3HD2 LEU 68 3HD2 LEU 68 -0.650 -4.003 12.685 489 H GLU 69 H GLU 69 -1.248 -0.054 12.504 490 HA GLU 69 HA GLU 69 -3.775 0.199 13.514 491 2HB GLU 69 2HB GLU 69 -2.732 1.343 15.394 492 2HG GLU 69 2HG GLU 69 -0.306 -0.135 14.867 493 HE2 GLU 69 HE GLU 69 -1.835 0.661 17.597 494 H GLU 70 H GLU 70 -1.946 2.353 11.426 495 HA GLU 70 HA GLU 70 -3.713 4.552 12.048 496 2HB GLU 70 2HB GLU 70 -2.217 5.893 10.633 497 2HG GLU 70 2HG GLU 70 0.073 4.951 11.778 498 HE2 GLU 70 HE GLU 70 -2.471 6.821 14.203 499 H SER 71 H SER 71 -2.850 2.275 9.402 500 HA SER 71 HA SER 71 -4.766 3.507 7.665 501 2HB SER 71 2HB SER 71 -3.952 2.012 5.982 502 HG SER 71 HG SER 71 -2.313 3.549 6.722 503 H ASN 72 H ASN 72 -4.225 0.086 8.807 504 HA ASN 72 HA ASN 72 -6.485 -1.043 8.110 505 2HB ASN 72 2HB ASN 72 -5.902 -1.563 10.986 506 1HD2 ASN 72 1HD2 ASN 72 -4.067 -3.388 8.853 507 2HD2 ASN 72 2HD2 ASN 72 -5.144 -4.716 8.577 508 H LYS 73 H LYS 73 -6.029 1.381 10.701 509 HA LYS 73 HA LYS 73 -8.462 1.044 12.024 510 2HB LYS 73 2HB LYS 73 -7.701 3.776 12.138 511 2HG LYS 73 2HG LYS 73 -6.512 2.554 14.310 512 2HD LYS 73 2HD LYS 73 -8.775 4.096 13.832 513 2HE LYS 73 2HE LYS 73 -10.456 2.797 15.384 514 1HZ LYS 73 1HZ LYS 73 -10.298 1.590 12.719 515 2HZ LYS 73 2HZ LYS 73 -11.590 2.226 13.477 516 H GLU 74 H GLU 74 -7.536 3.485 9.489 517 HA GLU 74 HA GLU 74 -10.312 4.076 9.131 518 2HB GLU 74 2HB GLU 74 -8.493 5.825 9.063 519 2HG GLU 74 2HG GLU 74 -6.957 4.263 7.633 520 HE2 GLU 74 HE GLU 74 -9.722 5.564 5.638 521 H GLY 75 H GLY 75 -8.643 1.442 8.303 522 1HA GLY 75 1HA GLY 75 -9.896 1.249 5.629 523 2HA GLY 75 2HA GLY 75 -8.309 0.598 5.985 524 H ILE 76 H ILE 76 -9.772 -1.334 5.065 525 HA ILE 76 HA ILE 76 -11.253 -2.562 7.259 526 HB ILE 76 HB ILE 76 -12.390 -2.416 5.142 527 2HG1 ILE 76 2HG1 ILE 76 -13.278 -4.530 5.163 528 1HG2 ILE 76 1HG2 ILE 76 -11.539 -3.733 3.175 529 2HG2 ILE 76 2HG2 ILE 76 -10.611 -2.266 3.570 530 3HG2 ILE 76 3HG2 ILE 76 -9.981 -3.866 4.026 531 1HD1 ILE 76 1HD1 ILE 76 -11.726 -5.967 4.178 532 2HD1 ILE 76 2HD1 ILE 76 -10.398 -5.420 5.229 533 3HD1 ILE 76 3HD1 ILE 76 -11.642 -6.520 5.867 534 H HIS 77 H HIS 77 -10.852 -4.891 7.740 535 HA HIS 77 HA HIS 77 -8.374 -5.382 8.593 536 2HB HIS 77 2HB HIS 77 -10.215 -7.509 7.471 537 HD1 HIS 77 1HD HIS 77 -9.865 -9.833 8.577 538 HD2 HIS 77 2HD HIS 77 -7.104 -6.922 9.800 539 HE1 HIS 77 1HE HIS 77 -8.019 -11.078 9.822 540 H VAL 78 H VAL 78 -6.558 -4.927 7.392 541 HA VAL 78 HA VAL 78 -6.201 -6.591 5.011 542 HB VAL 78 HB VAL 78 -6.093 -3.626 5.244 543 1HG1 VAL 78 1HG1 VAL 78 -4.565 -3.639 3.177 544 2HG1 VAL 78 2HG1 VAL 78 -3.806 -3.907 4.765 545 3HG1 VAL 78 3HG1 VAL 78 -4.109 -5.285 3.680 546 1HG2 VAL 78 1HG2 VAL 78 -6.825 -5.584 3.045 547 2HG2 VAL 78 2HG2 VAL 78 -7.934 -4.611 4.040 548 3HG2 VAL 78 3HG2 VAL 78 -6.858 -3.814 2.868 549 H ILE 79 H ILE 79 -4.132 -7.457 4.793 550 HA ILE 79 HA ILE 79 -2.290 -6.742 6.970 551 HB ILE 79 HB ILE 79 -1.499 -9.043 6.899 552 2HG1 ILE 79 2HG1 ILE 79 -2.314 -9.288 4.416 553 1HG2 ILE 79 1HG2 ILE 79 -3.120 -9.852 8.287 554 2HG2 ILE 79 2HG2 ILE 79 -3.606 -8.141 8.229 555 3HG2 ILE 79 3HG2 ILE 79 -4.453 -9.340 7.223 556 1HD1 ILE 79 1HD1 ILE 79 -2.672 -11.856 4.975 557 2HD1 ILE 79 2HD1 ILE 79 -1.081 -11.102 5.238 558 3HD1 ILE 79 3HD1 ILE 79 -2.183 -11.358 6.613 559 H HIS 80 H HIS 80 -2.378 -5.210 4.608 560 HA HIS 80 HA HIS 80 -0.306 -6.289 2.903 561 2HB HIS 80 2HB HIS 80 -0.725 -4.137 1.629 562 HD1 HIS 80 1HD HIS 80 -1.254 -7.199 1.206 563 HD2 HIS 80 2HD HIS 80 -4.213 -4.225 1.175 564 HE1 HIS 80 1HE HIS 80 -3.207 -8.146 -0.138 565 H ASP 81 H ASP 81 1.527 -4.700 2.266 566 HA ASP 81 HA ASP 81 2.409 -3.396 4.721 567 2HB ASP 81 2HB ASP 81 3.932 -5.169 4.442 568 HD2 ASP 81 HD ASP 81 4.471 -7.027 1.650 569 H SER 82 H SER 82 4.184 -1.623 4.148 570 HA SER 82 HA SER 82 3.030 0.268 2.555 571 2HB SER 82 2HB SER 82 5.889 -0.096 3.524 572 HG SER 82 HG SER 82 6.182 1.346 1.852 573 H ILE 83 H ILE 83 5.458 -2.261 1.793 574 HA ILE 83 HA ILE 83 6.228 -1.273 -0.705 575 HB ILE 83 HB ILE 83 6.122 -4.157 0.174 576 2HG1 ILE 83 2HG1 ILE 83 7.187 -3.113 1.980 577 1HG2 ILE 83 1HG2 ILE 83 6.925 -2.984 -2.232 578 2HG2 ILE 83 2HG2 ILE 83 8.437 -3.312 -1.352 579 3HG2 ILE 83 3HG2 ILE 83 7.283 -4.632 -1.660 580 1HD1 ILE 83 1HD1 ILE 83 9.645 -3.425 0.276 581 2HD1 ILE 83 2HD1 ILE 83 9.311 -4.047 1.910 582 3HD1 ILE 83 3HD1 ILE 83 8.596 -4.847 0.490 583 H THR 84 H THR 84 3.586 -3.517 0.312 584 HA THR 84 HA THR 84 2.688 -3.896 -2.375 585 HB THR 84 HB THR 84 1.997 -4.760 0.402 586 HG1 THR 84 1HG THR 84 1.610 -6.696 -1.119 587 1HG2 THR 84 1HG2 THR 84 -0.052 -4.763 -1.878 588 2HG2 THR 84 2HG2 THR 84 -0.209 -5.668 -0.352 589 3HG2 THR 84 3HG2 THR 84 -0.229 -3.888 -0.338 590 H LEU 85 H LEU 85 1.913 -1.662 0.301 591 HA LEU 85 HA LEU 85 -0.478 -0.698 -0.758 592 2HB LEU 85 2HB LEU 85 0.424 1.417 0.601 593 HG LEU 85 HG LEU 85 -1.414 0.445 1.597 594 1HD1 LEU 85 1HD1 LEU 85 -1.127 -2.019 2.556 595 2HD1 LEU 85 2HD1 LEU 85 -1.628 -1.703 0.877 596 3HD1 LEU 85 3HD1 LEU 85 0.065 -2.117 1.238 597 1HD2 LEU 85 1HD2 LEU 85 -0.169 1.276 3.400 598 2HD2 LEU 85 2HD2 LEU 85 -0.677 -0.350 3.917 599 3HD2 LEU 85 3HD2 LEU 85 0.987 -0.077 3.347 600 H ALA 86 H ALA 86 2.957 0.111 -1.398 601 HA ALA 86 HA ALA 86 2.472 2.425 -2.889 602 1HB ALA 86 1HB ALA 86 4.770 1.936 -3.794 603 2HB ALA 86 2HB ALA 86 4.669 1.887 -2.017 604 3HB ALA 86 3HB ALA 86 4.717 0.370 -2.947 605 H PHE 87 H PHE 87 2.780 -1.058 -3.834 606 HA PHE 87 HA PHE 87 2.382 -0.511 -6.582 607 2HB PHE 87 2HB PHE 87 1.648 -3.159 -5.329 608 HD1 PHE 87 1HD PHE 87 1.068 -4.014 -7.474 609 HD2 PHE 87 2HD PHE 87 4.866 -2.221 -6.866 610 HE1 PHE 87 1HE PHE 87 1.843 -4.905 -9.689 611 HE2 PHE 87 2HE PHE 87 5.642 -3.113 -9.081 612 HZ PHE 87 HZ PHE 87 4.121 -4.444 -10.466 613 H LEU 88 H LEU 88 0.267 -1.812 -3.935 614 HA LEU 88 HA LEU 88 -1.979 -2.211 -5.516 615 2HB LEU 88 2HB LEU 88 -3.049 -1.681 -3.104 616 HG LEU 88 HG LEU 88 -3.224 -3.889 -4.011 617 1HD1 LEU 88 1HD1 LEU 88 -1.380 -4.574 -5.111 618 2HD1 LEU 88 2HD1 LEU 88 -0.265 -3.796 -3.962 619 3HD1 LEU 88 3HD1 LEU 88 -1.009 -5.363 -3.560 620 1HD2 LEU 88 1HD2 LEU 88 -2.222 -5.205 -1.890 621 2HD2 LEU 88 2HD2 LEU 88 -2.162 -3.541 -1.263 622 3HD2 LEU 88 3HD2 LEU 88 -3.705 -4.223 -1.827 623 H ILE 89 H ILE 89 -0.694 0.711 -3.880 624 HA ILE 89 HA ILE 89 -3.016 2.259 -4.428 625 HB ILE 89 HB ILE 89 -0.223 2.881 -3.499 626 2HG1 ILE 89 2HG1 ILE 89 -1.936 1.724 -2.005 627 1HG2 ILE 89 1HG2 ILE 89 -0.852 5.189 -3.184 628 2HG2 ILE 89 2HG2 ILE 89 -1.046 4.753 -4.898 629 3HG2 ILE 89 3HG2 ILE 89 -2.475 4.878 -3.845 630 1HD1 ILE 89 1HD1 ILE 89 -0.887 2.684 -0.218 631 2HD1 ILE 89 2HD1 ILE 89 0.030 3.586 -1.448 632 3HD1 ILE 89 3HD1 ILE 89 -1.399 4.325 -0.684 633 H ARG 90 H ARG 90 0.294 2.008 -5.889 634 HA ARG 90 HA ARG 90 0.224 3.879 -7.725 635 2HB ARG 90 2HB ARG 90 1.063 1.544 -9.171 636 2HG ARG 90 2HG ARG 90 3.079 2.873 -7.447 637 2HD ARG 90 2HD ARG 90 3.257 3.454 -10.283 638 HE ARG 90 HE ARG 90 5.331 3.099 -9.172 639 1HH1 ARG 90 2HH2 ARG 90 3.353 0.159 -9.123 640 2HH1 ARG 90 1HH2 ARG 90 4.661 -0.862 -8.626 641 2HH2 ARG 90 1HH ARG 90 6.830 0.096 -8.276 642 H GLU 91 H GLU 91 -1.724 0.879 -7.736 643 HA GLU 91 HA GLU 91 -2.570 1.114 -10.398 644 2HB GLU 91 2HB GLU 91 -4.562 -0.303 -8.991 645 2HG GLU 91 2HG GLU 91 -2.476 -2.122 -9.653 646 HE2 GLU 91 HE GLU 91 -3.411 -3.497 -11.368 647 H LYS 92 H LYS 92 -3.970 2.116 -7.218 648 HA LYS 92 HA LYS 92 -6.187 3.380 -8.601 649 2HB LYS 92 2HB LYS 92 -6.568 2.029 -6.557 650 2HG LYS 92 2HG LYS 92 -4.317 3.158 -5.530 651 2HD LYS 92 2HD LYS 92 -6.431 5.139 -5.144 652 2HE LYS 92 2HE LYS 92 -5.407 5.333 -2.602 653 1HZ LYS 92 1HZ LYS 92 -7.740 5.514 -3.080 654 2HZ LYS 92 2HZ LYS 92 -7.873 3.946 -3.499 655 H ALA 93 H ALA 93 -3.007 4.113 -8.156 656 HA ALA 93 HA ALA 93 -3.377 6.834 -8.700 657 1HB ALA 93 1HB ALA 93 -2.258 7.637 -6.514 658 2HB ALA 93 2HB ALA 93 -3.988 7.221 -6.446 659 3HB ALA 93 3HB ALA 93 -2.772 6.076 -5.829 660 H SER 94 H SER 94 -1.990 5.923 -10.397 661 HA SER 94 HA SER 94 0.574 4.978 -9.590 662 2HB SER 94 2HB SER 94 -0.213 3.932 -11.546 663 HG SER 94 HG SER 94 -1.887 5.100 -12.350 664 H HIS 95 H HIS 95 -0.685 7.949 -9.352 665 HA HIS 95 HA HIS 95 1.449 9.384 -10.689 666 2HB HIS 95 2HB HIS 95 -0.067 11.235 -9.298 667 HD1 HIS 95 1HD HIS 95 -1.725 9.549 -12.249 668 HD2 HIS 95 2HD HIS 95 0.874 12.748 -11.470 669 HE1 HIS 95 1HE HIS 95 -1.550 10.874 -14.423 670 H ARG 96 H ARG 96 -0.020 10.108 -7.481 671 HA ARG 96 HA ARG 96 2.683 10.311 -6.480 672 2HB ARG 96 2HB ARG 96 1.778 11.726 -4.741 673 2HG ARG 96 2HG ARG 96 -0.216 12.697 -6.651 674 2HD ARG 96 2HD ARG 96 2.546 13.653 -5.758 675 HE ARG 96 HE ARG 96 0.843 14.691 -7.869 676 1HH1 ARG 96 2HH2 ARG 96 2.998 15.690 -5.240 677 2HH1 ARG 96 1HH2 ARG 96 3.385 17.213 -5.970 678 2HH2 ARG 96 1HH ARG 96 2.407 17.785 -8.082 679 H ILE 97 H ILE 97 3.405 8.354 -5.654 680 HA ILE 97 HA ILE 97 1.523 6.908 -3.921 681 HB ILE 97 HB ILE 97 3.821 5.601 -5.329 682 2HG1 ILE 97 2HG1 ILE 97 1.496 6.776 -6.616 683 1HG2 ILE 97 1HG2 ILE 97 1.618 3.900 -5.182 684 2HG2 ILE 97 2HG2 ILE 97 3.057 3.889 -4.135 685 3HG2 ILE 97 3HG2 ILE 97 1.602 4.789 -3.640 686 1HD1 ILE 97 1HD1 ILE 97 3.899 6.862 -7.386 687 2HD1 ILE 97 2HD1 ILE 97 3.810 5.115 -7.712 688 3HD1 ILE 97 3HD1 ILE 97 2.780 6.244 -8.624 689 H VAL 98 H VAL 98 2.862 5.431 -2.311 690 HA VAL 98 HA VAL 98 4.752 7.259 -1.042 691 HB VAL 98 HB VAL 98 2.980 6.684 0.381 692 1HG1 VAL 98 1HG1 VAL 98 2.699 4.050 0.827 693 2HG1 VAL 98 2HG1 VAL 98 1.776 4.923 -0.421 694 3HG1 VAL 98 3HG1 VAL 98 3.224 3.991 -0.873 695 1HG2 VAL 98 1HG2 VAL 98 5.445 6.336 1.197 696 2HG2 VAL 98 2HG2 VAL 98 4.087 5.826 2.229 697 3HG2 VAL 98 3HG2 VAL 98 4.979 4.619 1.271 698 H HIS 99 H HIS 99 6.839 6.556 -0.353 699 HA HIS 99 HA HIS 99 7.700 4.109 -1.720 700 2HB HIS 99 2HB HIS 99 9.873 5.152 -2.032 701 HD1 HIS 99 1HD HIS 99 9.419 5.081 -4.524 702 HD2 HIS 99 2HD HIS 99 7.302 8.131 -2.571 703 HE1 HIS 99 1HE HIS 99 8.341 6.491 -6.357 704 H ARG 100 H ARG 100 10.169 3.704 -0.586 705 HA ARG 100 HA ARG 100 9.774 3.871 2.263 706 2HB ARG 100 2HB ARG 100 8.834 1.711 1.992 707 2HG ARG 100 2HG ARG 100 10.514 1.681 -0.429 708 2HD ARG 100 2HD ARG 100 10.350 -1.024 -0.173 709 HE ARG 100 HE ARG 100 12.504 0.876 -0.013 710 1HH1 ARG 100 2HH2 ARG 100 11.799 -2.530 0.667 711 2HH1 ARG 100 1HH2 ARG 100 13.441 -3.040 0.453 712 2HH2 ARG 100 1HH ARG 100 15.111 -1.416 -0.110 713 H VAL 101 H VAL 101 11.685 4.707 3.040 714 HA VAL 101 HA VAL 101 14.126 4.042 1.551 715 HB VAL 101 HB VAL 101 13.598 6.382 1.500 716 1HG1 VAL 101 1HG1 VAL 101 13.019 5.968 4.391 717 2HG1 VAL 101 2HG1 VAL 101 13.758 7.521 3.933 718 3HG1 VAL 101 3HG1 VAL 101 12.218 7.017 3.196 719 1HG2 VAL 101 1HG2 VAL 101 15.887 5.587 3.299 720 2HG2 VAL 101 2HG2 VAL 101 15.920 6.071 1.587 721 3HG2 VAL 101 3HG2 VAL 101 15.607 7.285 2.850 722 H VAL 102 H VAL 102 16.040 3.475 2.748 723 HA VAL 102 HA VAL 102 15.456 2.652 5.507 724 HB VAL 102 HB VAL 102 17.361 1.137 3.772 725 1HG1 VAL 102 1HG1 VAL 102 15.680 -0.474 5.442 726 2HG1 VAL 102 2HG1 VAL 102 17.432 -0.184 5.566 727 3HG1 VAL 102 3HG1 VAL 102 16.290 0.897 6.400 728 1HG2 VAL 102 1HG2 VAL 102 15.641 0.930 2.266 729 2HG2 VAL 102 2HG2 VAL 102 15.227 -0.394 3.381 730 3HG2 VAL 102 3HG2 VAL 102 14.379 1.166 3.500 731 H LYS 103 H LYS 103 16.318 4.986 5.750 732 HA LYS 103 HA LYS 103 19.011 4.783 6.589 733 2HB LYS 103 2HB LYS 103 19.030 6.966 4.670 734 2HG LYS 103 2HG LYS 103 21.013 5.251 3.929 735 2HD LYS 103 2HD LYS 103 20.769 7.555 5.609 736 2HE LYS 103 2HE LYS 103 22.022 5.228 6.958 737 1HZ LYS 103 1HZ LYS 103 23.676 7.060 7.878 738 2HZ LYS 103 2HZ LYS 103 24.098 6.122 6.616 739 H SER 104 H SER 104 16.222 6.856 5.643 740 HA SER 104 HA SER 104 16.635 8.234 8.173 741 2HB SER 104 2HB SER 104 15.389 10.078 6.401 742 HG SER 104 HG SER 104 17.798 9.841 7.841 743 H ASP 105 H ASP 105 14.435 9.678 8.539 744 HA ASP 105 HA ASP 105 12.313 7.731 8.161 745 2HB ASP 105 2HB ASP 105 12.390 10.131 10.046 746 HD2 ASP 105 HD ASP 105 9.673 9.560 9.180 747 H PHE 106 H PHE 106 10.383 8.368 7.071 748 HA PHE 106 HA PHE 106 10.061 11.187 6.438 749 2HB PHE 106 2HB PHE 106 9.515 9.343 4.173 750 HD1 PHE 106 1HD PHE 106 8.913 12.194 4.587 751 HD2 PHE 106 2HD PHE 106 12.396 10.340 3.027 752 HE1 PHE 106 1HE PHE 106 9.430 14.270 3.275 753 HE2 PHE 106 2HE PHE 106 12.914 12.416 1.716 754 HZ PHE 106 HZ PHE 106 11.425 14.357 1.855 755 H GLU 107 H GLU 107 7.916 11.814 6.400 756 HA GLU 107 HA GLU 107 6.035 9.656 6.877 757 2HB GLU 107 2HB GLU 107 4.539 11.509 7.715 758 2HG GLU 107 2HG GLU 107 7.273 11.699 9.034 759 HE2 GLU 107 HE GLU 107 3.657 11.435 9.773 760 H ILE 108 H ILE 108 4.038 9.506 5.686 761 HA ILE 108 HA ILE 108 3.849 11.258 3.357 762 HB ILE 108 HB ILE 108 3.369 8.345 2.965 763 2HG1 ILE 108 2HG1 ILE 108 6.066 9.611 3.334 764 1HG2 ILE 108 1HG2 ILE 108 4.266 10.655 1.231 765 2HG2 ILE 108 2HG2 ILE 108 4.238 8.963 0.681 766 3HG2 ILE 108 3HG2 ILE 108 2.726 9.764 1.171 767 1HD1 ILE 108 1HD1 ILE 108 4.537 7.609 4.629 768 2HD1 ILE 108 2HD1 ILE 108 5.786 6.733 3.713 769 3HD1 ILE 108 3HD1 ILE 108 6.257 7.980 4.893 770 H GLY 109 H GLY 109 1.702 11.580 2.604 771 1HA GLY 109 1HA GLY 109 -0.461 10.164 3.923 772 2HA GLY 109 2HA GLY 109 -0.295 11.852 4.363 773 H VAL 110 H VAL 110 -2.597 10.845 3.024 774 HA VAL 110 HA VAL 110 -2.547 12.554 0.716 775 HB VAL 110 HB VAL 110 -2.027 9.798 0.397 776 1HG1 VAL 110 1HG1 VAL 110 -3.859 8.925 -0.844 777 2HG1 VAL 110 2HG1 VAL 110 -4.545 9.573 0.665 778 3HG1 VAL 110 3HG1 VAL 110 -4.699 10.494 -0.850 779 1HG2 VAL 110 1HG2 VAL 110 -1.808 10.355 -1.913 780 2HG2 VAL 110 2HG2 VAL 110 -2.897 11.753 -1.750 781 3HG2 VAL 110 3HG2 VAL 110 -1.289 11.783 -0.986 782 H THR 111 H THR 111 -4.779 12.906 -0.128 783 HA THR 111 HA THR 111 -6.735 12.373 2.008 784 HB THR 111 HB THR 111 -7.717 14.510 1.396 785 HG1 THR 111 1HG THR 111 -5.699 14.515 -0.727 786 1HG2 THR 111 1HG2 THR 111 -5.622 14.864 2.678 787 2HG2 THR 111 2HG2 THR 111 -4.667 14.726 1.182 788 3HG2 THR 111 3HG2 THR 111 -5.765 16.108 1.412 789 H ARG 112 H ARG 112 -5.893 11.874 -1.356 790 HA ARG 112 HA ARG 112 -8.241 10.247 -1.567 791 2HB ARG 112 2HB ARG 112 -9.384 11.523 -3.073 792 2HG ARG 112 2HG ARG 112 -7.193 13.488 -2.298 793 2HD ARG 112 2HD ARG 112 -8.384 13.849 -4.656 794 HE ARG 112 HE ARG 112 -10.684 13.724 -3.180 795 1HH1 ARG 112 2HH2 ARG 112 -9.090 16.439 -4.807 796 2HH1 ARG 112 1HH2 ARG 112 -10.568 17.292 -5.099 797 2HH2 ARG 112 1HH ARG 112 -12.640 16.340 -4.360 798 H ASP 113 H ASP 113 -5.419 11.700 -3.345 799 HA ASP 113 HA ASP 113 -3.946 9.496 -3.590 800 2HB ASP 113 2HB ASP 113 -5.203 8.099 -4.900 801 HD2 ASP 113 HD ASP 113 -8.191 8.641 -4.964 802 H GLY 114 H GLY 114 -5.355 12.411 -5.025 803 1HA GLY 114 1HA GLY 114 -3.291 12.923 -6.936 804 2HA GLY 114 2HA GLY 114 -4.536 14.026 -6.380 805 H GLU 115 H GLU 115 -4.244 14.993 -4.124 806 HA GLU 115 HA GLU 115 -1.554 15.909 -3.957 807 2HB GLU 115 2HB GLU 115 -3.155 17.604 -3.588 808 2HG GLU 115 2HG GLU 115 -4.729 16.916 -1.379 809 HE2 GLU 115 HE GLU 115 -5.233 18.645 -4.274 810 H ILE 116 H ILE 116 -0.018 15.459 -2.351 811 HA ILE 116 HA ILE 116 -0.870 13.569 -0.278 812 HB ILE 116 HB ILE 116 0.804 12.088 -0.701 813 2HG1 ILE 116 2HG1 ILE 116 2.305 14.460 -1.654 814 1HG2 ILE 116 1HG2 ILE 116 0.427 11.340 -2.811 815 2HG2 ILE 116 2HG2 ILE 116 -0.837 12.591 -2.747 816 3HG2 ILE 116 3HG2 ILE 116 0.712 12.932 -3.554 817 1HD1 ILE 116 1HD1 ILE 116 2.635 12.080 0.133 818 2HD1 ILE 116 2HD1 ILE 116 4.106 12.690 -0.661 819 3HD1 ILE 116 3HD1 ILE 116 3.147 13.768 0.380 820 H ILE 117 H ILE 117 0.918 13.452 1.504 821 HA ILE 117 HA ILE 117 2.153 16.091 1.797 822 HB ILE 117 HB ILE 117 1.477 16.044 4.194 823 2HG1 ILE 117 2HG1 ILE 117 0.085 13.568 3.279 824 1HG2 ILE 117 1HG2 ILE 117 -0.357 17.301 3.758 825 2HG2 ILE 117 2HG2 ILE 117 0.238 17.141 2.088 826 3HG2 ILE 117 3HG2 ILE 117 -1.075 16.090 2.669 827 1HD1 ILE 117 1HD1 ILE 117 0.465 13.772 6.103 828 2HD1 ILE 117 2HD1 ILE 117 1.386 12.775 4.951 829 3HD1 ILE 117 3HD1 ILE 117 1.933 14.424 5.338 830 H VAL 118 H VAL 118 4.182 16.083 2.782 831 HA VAL 118 HA VAL 118 5.126 13.472 3.714 832 HB VAL 118 HB VAL 118 7.342 14.345 2.542 833 1HG1 VAL 118 1HG1 VAL 118 6.356 12.164 2.151 834 2HG1 VAL 118 2HG1 VAL 118 5.079 12.885 1.141 835 3HG1 VAL 118 3HG1 VAL 118 6.770 12.913 0.590 836 1HG2 VAL 118 1HG2 VAL 118 5.286 15.304 0.549 837 2HG2 VAL 118 2HG2 VAL 118 6.029 16.409 1.730 838 3HG2 VAL 118 3HG2 VAL 118 7.049 15.552 0.550 839 H ASP 119 H ASP 119 6.934 13.616 5.230 840 HA ASP 119 HA ASP 119 7.899 16.100 6.048 841 2HB ASP 119 2HB ASP 119 6.136 14.826 8.159 842 HD2 ASP 119 HD ASP 119 7.160 16.253 10.095 843 H LEU 120 H LEU 120 9.925 15.527 6.861 844 HA LEU 120 HA LEU 120 10.380 12.775 7.566 845 2HB LEU 120 2HB LEU 120 12.740 13.566 7.793 846 HG LEU 120 HG LEU 120 11.370 13.123 5.440 847 1HD1 LEU 120 1HD1 LEU 120 12.655 14.956 3.992 848 2HD1 LEU 120 2HD1 LEU 120 11.001 15.202 4.602 849 3HD1 LEU 120 3HD1 LEU 120 12.383 15.923 5.461 850 1HD2 LEU 120 1HD2 LEU 120 13.340 11.996 5.593 851 2HD2 LEU 120 2HD2 LEU 120 13.850 13.297 4.491 852 3HD2 LEU 120 3HD2 LEU 120 14.231 13.400 6.227 853 H ASN 121 H ASN 121 8.526 13.585 9.337 854 HA ASN 121 HA ASN 121 8.082 13.685 11.456 855 2HB ASN 121 2HB ASN 121 11.025 12.929 11.646 856 1HD2 ASN 121 1HD2 ASN 121 8.160 12.712 13.739 857 2HD2 ASN 121 2HD2 ASN 121 8.901 13.291 15.194 858 H SER 122 H SER 122 7.874 15.394 13.012 859 HA SER 122 HA SER 122 9.585 17.673 12.457 860 2HB SER 122 2HB SER 122 7.439 18.368 14.228 861 HG SER 122 HG SER 122 8.249 18.916 11.563 Start of MODEL 3 1 H MET 1 H MET 1 6.960 -15.502 -17.999 2 HA MET 1 HA MET 1 5.251 -16.247 -16.850 3 2HB MET 1 2HB MET 1 5.525 -15.980 -14.347 4 2HG MET 1 2HG MET 1 8.070 -16.343 -15.992 5 1HE MET 1 1HE MET 1 9.697 -18.519 -12.960 6 2HE MET 1 2HE MET 1 8.601 -18.957 -14.292 7 3HE MET 1 3HE MET 1 10.068 -18.005 -14.623 8 H ARG 2 H ARG 2 5.777 -12.959 -15.365 9 HA ARG 2 HA ARG 2 3.459 -11.911 -16.437 10 2HB ARG 2 2HB ARG 2 2.447 -13.583 -14.767 11 2HG ARG 2 2HG ARG 2 2.953 -11.638 -12.563 12 2HD ARG 2 2HD ARG 2 2.860 -14.679 -12.833 13 HE ARG 2 HE ARG 2 3.821 -13.045 -10.595 14 1HH1 ARG 2 2HH2 ARG 2 2.284 -16.108 -11.496 15 2HH1 ARG 2 1HH2 ARG 2 2.760 -16.918 -10.042 16 2HH2 ARG 2 1HH ARG 2 4.034 -15.727 -8.397 17 H GLU 3 H GLU 3 3.178 -9.641 -15.770 18 HA GLU 3 HA GLU 3 5.537 -8.694 -14.362 19 2HB GLU 3 2HB GLU 3 3.616 -7.243 -16.236 20 2HG GLU 3 2HG GLU 3 6.056 -5.839 -16.001 21 HE2 GLU 3 HE GLU 3 4.283 -3.127 -15.257 22 H ARG 4 H ARG 4 5.380 -7.382 -12.514 23 HA ARG 4 HA ARG 4 3.249 -5.963 -11.713 24 2HB ARG 4 2HB ARG 4 2.691 -7.899 -9.760 25 2HG ARG 4 2HG ARG 4 1.328 -6.610 -12.017 26 2HD ARG 4 2HD ARG 4 -0.244 -8.975 -11.176 27 HE ARG 4 HE ARG 4 -0.372 -7.165 -13.254 28 1HH1 ARG 4 2HH2 ARG 4 -0.057 -10.692 -13.150 29 2HH1 ARG 4 1HH2 ARG 4 -0.868 -10.934 -14.662 30 2HH2 ARG 4 1HH ARG 4 -1.674 -9.032 -15.878 31 H GLY 5 H GLY 5 3.220 -6.185 -8.922 32 1HA GLY 5 1HA GLY 5 6.086 -5.901 -8.265 33 2HA GLY 5 2HA GLY 5 4.773 -5.011 -7.521 34 H TRP 6 H TRP 6 5.389 -5.722 -5.389 35 HA TRP 6 HA TRP 6 5.598 -7.149 -3.681 36 2HB TRP 6 2HB TRP 6 3.504 -7.388 -3.048 37 HD1 TRP 6 HD TRP 6 2.459 -5.086 -4.093 38 HE1 TRP 6 1HE TRP 6 0.703 -4.551 -5.989 39 HE3 TRP 6 3HE TRP 6 2.631 -9.677 -6.273 40 HZ2 TRP 6 2HZ TRP 6 -0.392 -6.075 -8.140 41 HZ3 TRP 6 3HZ TRP 6 1.186 -10.070 -8.266 42 HH2 TRP 6 HH TRP 6 -0.288 -8.360 -9.202 43 H SER 7 H SER 7 7.258 -7.887 -5.852 44 HA SER 7 HA SER 7 6.830 -10.592 -6.519 45 2HB SER 7 2HB SER 7 9.439 -9.025 -6.687 46 HG SER 7 HG SER 7 10.037 -10.531 -8.145 47 H GLN 8 H GLN 8 6.499 -11.436 -4.272 48 HA GLN 8 HA GLN 8 7.156 -12.177 -2.302 49 2HB GLN 8 2HB GLN 8 9.460 -13.621 -2.782 50 2HG GLN 8 2HG GLN 8 7.129 -14.843 -4.096 51 1HE2 GLN 8 1HE2 GLN 8 6.319 -16.583 -2.407 52 2HE2 GLN 8 2HE2 GLN 8 7.578 -17.486 -1.634 53 H LYS 9 H LYS 9 7.700 -9.723 -1.841 54 HA LYS 9 HA LYS 9 10.487 -9.122 -1.650 55 2HB LYS 9 2HB LYS 9 9.608 -7.073 -0.462 56 2HG LYS 9 2HG LYS 9 8.011 -6.661 -2.708 57 2HD LYS 9 2HD LYS 9 10.770 -6.149 -1.869 58 2HE LYS 9 2HE LYS 9 10.380 -6.060 -4.871 59 1HZ LYS 9 1HZ LYS 9 12.284 -4.921 -4.234 60 2HZ LYS 9 2HZ LYS 9 12.619 -5.893 -2.971 61 H LYS 10 H LYS 10 8.020 -8.983 0.994 62 HA LYS 10 HA LYS 10 9.864 -10.587 2.613 63 2HB LYS 10 2HB LYS 10 8.639 -8.760 4.358 64 2HG LYS 10 2HG LYS 10 11.359 -9.391 3.305 65 2HD LYS 10 2HD LYS 10 10.956 -6.757 3.271 66 2HE LYS 10 2HE LYS 10 11.830 -6.973 6.141 67 1HZ LYS 10 1HZ LYS 10 10.131 -4.894 5.796 68 2HZ LYS 10 2HZ LYS 10 11.748 -4.781 5.635 69 H ILE 11 H ILE 11 6.843 -8.988 3.657 70 HA ILE 11 HA ILE 11 5.781 -11.566 4.350 71 HB ILE 11 HB ILE 11 4.464 -8.867 4.604 72 2HG1 ILE 11 2HG1 ILE 11 6.685 -8.703 5.587 73 1HG2 ILE 11 1HG2 ILE 11 3.603 -10.197 6.721 74 2HG2 ILE 11 2HG2 ILE 11 2.821 -10.366 5.131 75 3HG2 ILE 11 3HG2 ILE 11 3.968 -11.604 5.696 76 1HD1 ILE 11 1HD1 ILE 11 5.142 -9.178 8.075 77 2HD1 ILE 11 2HD1 ILE 11 5.910 -7.686 7.480 78 3HD1 ILE 11 3HD1 ILE 11 4.302 -8.160 6.881 79 H ALA 12 H ALA 12 6.136 -10.177 1.443 80 HA ALA 12 HA ALA 12 3.795 -9.793 0.208 81 1HB ALA 12 1HB ALA 12 5.454 -11.650 -1.324 82 2HB ALA 12 2HB ALA 12 5.111 -9.928 -1.615 83 3HB ALA 12 3HB ALA 12 6.432 -10.399 -0.519 84 H ARG 13 H ARG 13 5.048 -12.877 1.498 85 HA ARG 13 HA ARG 13 3.356 -14.570 0.173 86 2HB ARG 13 2HB ARG 13 3.855 -15.258 3.028 87 2HG ARG 13 2HG ARG 13 5.279 -16.693 0.859 88 2HD ARG 13 2HD ARG 13 3.088 -17.914 2.512 89 HE ARG 13 HE ARG 13 5.694 -19.133 2.575 90 1HH1 ARG 13 2HH2 ARG 13 3.003 -18.522 0.354 91 2HH1 ARG 13 1HH2 ARG 13 3.354 -19.890 -0.647 92 2HH2 ARG 13 1HH ARG 13 5.215 -21.297 -0.100 93 H GLU 14 H GLU 14 2.976 -13.079 3.477 94 HA GLU 14 HA GLU 14 0.457 -14.098 3.933 95 2HB GLU 14 2HB GLU 14 1.036 -11.410 5.078 96 2HG GLU 14 2HG GLU 14 0.060 -14.107 5.940 97 HE2 GLU 14 HE GLU 14 2.006 -14.840 7.423 98 H LEU 15 H LEU 15 1.569 -11.333 2.015 99 HA LEU 15 HA LEU 15 -0.937 -10.018 1.907 100 2HB LEU 15 2HB LEU 15 0.182 -8.920 -0.117 101 HG LEU 15 HG LEU 15 0.278 -8.046 2.310 102 1HD1 LEU 15 1HD1 LEU 15 2.439 -8.083 3.401 103 2HD1 LEU 15 2HD1 LEU 15 1.866 -9.746 3.135 104 3HD1 LEU 15 3HD1 LEU 15 3.125 -9.058 2.081 105 1HD2 LEU 15 1HD2 LEU 15 1.953 -7.315 -0.027 106 2HD2 LEU 15 2HD2 LEU 15 0.740 -6.368 0.868 107 3HD2 LEU 15 3HD2 LEU 15 2.381 -6.563 1.529 108 H LYS 16 H LYS 16 0.801 -12.352 -0.243 109 HA LYS 16 HA LYS 16 -1.099 -12.385 -2.264 110 2HB LYS 16 2HB LYS 16 1.100 -14.183 -1.342 111 2HG LYS 16 2HG LYS 16 0.265 -15.424 -3.642 112 2HD LYS 16 2HD LYS 16 -0.918 -17.069 -1.887 113 2HE LYS 16 2HE LYS 16 2.018 -16.620 -1.360 114 1HZ LYS 16 1HZ LYS 16 0.375 -18.991 -2.076 115 2HZ LYS 16 2HZ LYS 16 1.972 -19.039 -1.758 116 H THR 17 H THR 17 -0.948 -14.059 0.896 117 HA THR 17 HA THR 17 -3.173 -15.759 0.310 118 HB THR 17 HB THR 17 -1.575 -15.003 2.802 119 HG1 THR 17 1HG THR 17 -0.536 -16.852 2.114 120 1HG2 THR 17 1HG2 THR 17 -4.135 -15.820 3.098 121 2HG2 THR 17 2HG2 THR 17 -3.412 -17.397 2.700 122 3HG2 THR 17 3HG2 THR 17 -2.833 -16.483 4.114 123 H THR 18 H THR 18 -2.738 -12.464 1.495 124 HA THR 18 HA THR 18 -5.416 -12.342 2.564 125 HB THR 18 HB THR 18 -3.024 -11.019 3.042 126 HG1 THR 18 1HG THR 18 -5.152 -11.210 4.245 127 1HG2 THR 18 1HG2 THR 18 -3.319 -8.695 2.391 128 2HG2 THR 18 2HG2 THR 18 -3.433 -9.654 0.895 129 3HG2 THR 18 3HG2 THR 18 -4.911 -9.040 1.674 130 H ARG 19 H ARG 19 -7.234 -11.969 1.472 131 HA ARG 19 HA ARG 19 -7.445 -10.093 -0.503 132 2HB ARG 19 2HB ARG 19 -6.083 -11.645 -1.900 133 2HG ARG 19 2HG ARG 19 -8.139 -13.678 -2.301 134 2HD ARG 19 2HD ARG 19 -5.219 -13.719 -1.403 135 HE ARG 19 HE ARG 19 -6.928 -15.839 -1.039 136 1HH1 ARG 19 2HH2 ARG 19 -4.304 -15.275 -3.352 137 2HH1 ARG 19 1HH2 ARG 19 -3.912 -16.956 -3.507 138 2HH2 ARG 19 1HH ARG 19 -5.164 -18.572 -2.256 139 H GLN 20 H GLN 20 -8.922 -10.721 1.751 140 HA GLN 20 HA GLN 20 -11.017 -12.503 1.233 141 2HB GLN 20 2HB GLN 20 -12.065 -10.940 3.171 142 2HG GLN 20 2HG GLN 20 -9.950 -12.264 4.516 143 1HE2 GLN 20 1HE2 GLN 20 -10.733 -14.303 5.492 144 2HE2 GLN 20 2HE2 GLN 20 -12.430 -14.492 5.783 145 H ASN 21 H ASN 21 -11.257 -11.497 -1.097 146 HA ASN 21 HA ASN 21 -12.449 -10.399 -2.537 147 2HB ASN 21 2HB ASN 21 -14.802 -9.576 -1.667 148 1HD2 ASN 21 1HD2 ASN 21 -15.589 -12.056 -0.043 149 2HD2 ASN 21 2HD2 ASN 21 -15.670 -13.338 -1.206 150 H VAL 22 H VAL 22 -10.580 -8.923 -0.589 151 HA VAL 22 HA VAL 22 -11.838 -6.292 -0.510 152 HB VAL 22 HB VAL 22 -9.164 -7.136 0.602 153 1HG1 VAL 22 1HG1 VAL 22 -9.086 -5.121 1.648 154 2HG1 VAL 22 2HG1 VAL 22 -10.156 -4.640 0.308 155 3HG1 VAL 22 3HG1 VAL 22 -10.847 -5.056 1.895 156 1HG2 VAL 22 1HG2 VAL 22 -11.915 -7.674 1.611 157 2HG2 VAL 22 2HG2 VAL 22 -10.404 -8.586 1.849 158 3HG2 VAL 22 3HG2 VAL 22 -10.714 -7.113 2.800 159 H SER 23 H SER 23 -8.582 -5.744 -0.524 160 HA SER 23 HA SER 23 -8.618 -4.462 -2.947 161 2HB SER 23 2HB SER 23 -5.943 -5.393 -2.084 162 HG SER 23 HG SER 23 -7.298 -2.939 -2.625 163 H ALA 24 H ALA 24 -6.566 -7.366 -2.147 164 HA ALA 24 HA ALA 24 -5.620 -8.845 -3.544 165 1HB ALA 24 1HB ALA 24 -8.400 -9.239 -4.659 166 2HB ALA 24 2HB ALA 24 -7.188 -10.458 -4.196 167 3HB ALA 24 3HB ALA 24 -8.068 -9.558 -2.939 168 H ILE 25 H ILE 25 -4.854 -6.571 -4.621 169 HA ILE 25 HA ILE 25 -5.913 -6.140 -7.234 170 HB ILE 25 HB ILE 25 -3.493 -5.097 -5.767 171 2HG1 ILE 25 2HG1 ILE 25 -5.560 -4.325 -4.809 172 1HG2 ILE 25 1HG2 ILE 25 -3.894 -5.137 -8.562 173 2HG2 ILE 25 2HG2 ILE 25 -4.241 -3.478 -8.020 174 3HG2 ILE 25 3HG2 ILE 25 -2.674 -4.231 -7.637 175 1HD1 ILE 25 1HD1 ILE 25 -5.392 -1.844 -6.107 176 2HD1 ILE 25 2HD1 ILE 25 -4.456 -2.345 -4.679 177 3HD1 ILE 25 3HD1 ILE 25 -3.767 -2.544 -6.308 178 H GLU 26 H GLU 26 -3.339 -8.091 -5.759 179 HA GLU 26 HA GLU 26 -1.930 -8.529 -8.133 180 2HB GLU 26 2HB GLU 26 -0.885 -8.918 -5.968 181 2HG GLU 26 2HG GLU 26 -3.282 -9.912 -5.122 182 HE2 GLU 26 HE GLU 26 -0.612 -12.206 -5.281 183 H ARG 27 H ARG 27 -4.608 -10.271 -6.459 184 HA ARG 27 HA ARG 27 -4.580 -12.432 -8.227 185 2HB ARG 27 2HB ARG 27 -6.729 -11.319 -6.360 186 2HG ARG 27 2HG ARG 27 -7.152 -13.127 -8.488 187 2HD ARG 27 2HD ARG 27 -6.038 -14.573 -6.269 188 HE ARG 27 HE ARG 27 -8.830 -14.426 -5.926 189 1HH1 ARG 27 2HH2 ARG 27 -6.437 -16.985 -6.456 190 2HH1 ARG 27 1HH2 ARG 27 -7.355 -18.189 -5.616 191 2HH2 ARG 27 1HH ARG 27 -9.472 -17.596 -4.661 192 H LYS 28 H LYS 28 -6.694 -9.486 -7.932 193 HA LYS 28 HA LYS 28 -8.312 -10.037 -10.119 194 2HB LYS 28 2HB LYS 28 -7.884 -7.197 -9.751 195 2HG LYS 28 2HG LYS 28 -10.044 -9.250 -9.571 196 2HD LYS 28 2HD LYS 28 -11.316 -6.988 -8.563 197 2HE LYS 28 2HE LYS 28 -10.696 -8.622 -6.318 198 1HZ LYS 28 1HZ LYS 28 -12.922 -9.360 -8.043 199 2HZ LYS 28 2HZ LYS 28 -12.929 -8.998 -6.454 200 H ALA 29 H ALA 29 -5.355 -7.931 -9.911 201 HA ALA 29 HA ALA 29 -5.199 -7.177 -12.514 202 1HB ALA 29 1HB ALA 29 -2.747 -7.013 -12.093 203 2HB ALA 29 2HB ALA 29 -3.715 -6.366 -10.748 204 3HB ALA 29 3HB ALA 29 -2.961 -7.972 -10.609 205 H MET 30 H MET 30 -3.566 -10.104 -11.091 206 HA MET 30 HA MET 30 -2.738 -11.088 -13.527 207 2HB MET 30 2HB MET 30 -3.522 -12.974 -11.290 208 2HG MET 30 2HG MET 30 -0.762 -13.120 -11.846 209 1HE MET 30 1HE MET 30 -2.849 -16.184 -10.647 210 2HE MET 30 2HE MET 30 -1.170 -15.604 -10.537 211 3HE MET 30 3HE MET 30 -2.520 -14.492 -10.199 212 H GLU 31 H GLU 31 -5.915 -10.941 -12.142 213 HA GLU 31 HA GLU 31 -6.882 -13.254 -13.493 214 2HB GLU 31 2HB GLU 31 -9.040 -11.531 -12.733 215 2HG GLU 31 2HG GLU 31 -8.119 -13.587 -10.789 216 HE2 GLU 31 HE GLU 31 -10.075 -15.049 -10.549 217 H ASN 32 H ASN 32 -5.563 -11.746 -15.390 218 HA ASN 32 HA ASN 32 -5.742 -10.662 -17.270 219 2HB ASN 32 2HB ASN 32 -8.061 -11.159 -18.512 220 1HD2 ASN 32 1HD2 ASN 32 -8.071 -14.197 -17.910 221 2HD2 ASN 32 2HD2 ASN 32 -6.682 -14.804 -18.750 222 H ILE 33 H ILE 33 -6.518 -9.120 -14.905 223 HA ILE 33 HA ILE 33 -8.928 -7.778 -15.169 224 HB ILE 33 HB ILE 33 -6.765 -7.782 -13.449 225 2HG1 ILE 33 2HG1 ILE 33 -8.984 -7.666 -12.647 226 1HG2 ILE 33 1HG2 ILE 33 -6.104 -5.458 -13.170 227 2HG2 ILE 33 2HG2 ILE 33 -5.656 -6.047 -14.789 228 3HG2 ILE 33 3HG2 ILE 33 -7.074 -4.990 -14.587 229 1HD1 ILE 33 1HD1 ILE 33 -8.886 -5.904 -11.036 230 2HD1 ILE 33 2HD1 ILE 33 -7.186 -6.291 -11.393 231 3HD1 ILE 33 3HD1 ILE 33 -7.944 -4.857 -12.124 232 H GLU 34 H GLU 34 -9.235 -5.437 -15.797 233 HA GLU 34 HA GLU 34 -7.402 -4.278 -17.566 234 2HB GLU 34 2HB GLU 34 -9.830 -5.637 -18.809 235 2HG GLU 34 2HG GLU 34 -7.870 -4.155 -20.505 236 HE2 GLU 34 HE GLU 34 -11.611 -3.436 -21.015 237 H LYS 35 H LYS 35 -10.933 -4.629 -16.802 238 HA LYS 35 HA LYS 35 -11.277 -2.306 -15.490 239 2HB LYS 35 2HB LYS 35 -11.180 -1.817 -18.445 240 2HG LYS 35 2HG LYS 35 -12.429 0.427 -17.329 241 2HD LYS 35 2HD LYS 35 -14.380 -1.367 -18.548 242 2HE LYS 35 2HE LYS 35 -13.677 1.317 -18.685 243 1HZ LYS 35 1HZ LYS 35 -13.343 1.137 -21.356 244 2HZ LYS 35 2HZ LYS 35 -12.124 1.417 -20.315 245 H SER 36 H SER 36 -12.613 -4.015 -14.566 246 HA SER 36 HA SER 36 -15.220 -3.962 -15.797 247 2HB SER 36 2HB SER 36 -13.948 -6.584 -14.902 248 HG SER 36 HG SER 36 -16.099 -6.979 -14.882 249 H ARG 37 H ARG 37 -13.546 -5.811 -13.141 250 HA ARG 37 HA ARG 37 -15.556 -5.720 -11.363 251 2HB ARG 37 2HB ARG 37 -12.865 -5.287 -10.149 252 2HG ARG 37 2HG ARG 37 -14.817 -6.352 -8.967 253 2HD ARG 37 2HD ARG 37 -14.843 -8.970 -9.812 254 HE ARG 37 HE ARG 37 -16.666 -6.717 -10.099 255 1HH1 ARG 37 2HH2 ARG 37 -16.193 -10.119 -10.967 256 2HH1 ARG 37 1HH2 ARG 37 -17.885 -10.432 -11.169 257 2HH2 ARG 37 1HH ARG 37 -19.457 -8.658 -10.810 258 H ASN 38 H ASN 38 -12.755 -3.391 -11.534 259 HA ASN 38 HA ASN 38 -12.583 -1.288 -11.023 260 2HB ASN 38 2HB ASN 38 -14.584 0.179 -10.871 261 1HD2 ASN 38 1HD2 ASN 38 -16.852 -1.150 -12.415 262 2HD2 ASN 38 2HD2 ASN 38 -16.295 -1.234 -14.053 263 H THR 39 H THR 39 -12.127 -3.135 -8.990 264 HA THR 39 HA THR 39 -13.681 -2.573 -6.656 265 HB THR 39 HB THR 39 -11.033 -4.025 -7.168 266 HG1 THR 39 1HG THR 39 -12.611 -5.824 -6.895 267 1HG2 THR 39 1HG2 THR 39 -12.332 -5.091 -4.903 268 2HG2 THR 39 2HG2 THR 39 -10.841 -4.119 -4.886 269 3HG2 THR 39 3HG2 THR 39 -12.420 -3.330 -4.660 270 H LEU 40 H LEU 40 -10.110 -2.298 -6.741 271 HA LEU 40 HA LEU 40 -9.943 -0.376 -4.834 272 2HB LEU 40 2HB LEU 40 -8.135 -1.770 -5.953 273 HG LEU 40 HG LEU 40 -8.259 0.526 -7.893 274 1HD1 LEU 40 1HD1 LEU 40 -5.728 -0.979 -7.872 275 2HD1 LEU 40 2HD1 LEU 40 -6.042 0.754 -8.132 276 3HD1 LEU 40 3HD1 LEU 40 -5.966 0.102 -6.478 277 1HD2 LEU 40 1HD2 LEU 40 -7.463 -1.428 -9.404 278 2HD2 LEU 40 2HD2 LEU 40 -8.000 -2.465 -8.060 279 3HD2 LEU 40 3HD2 LEU 40 -9.158 -1.377 -8.863 280 H ASP 41 H ASP 41 -10.923 -0.040 -8.212 281 HA ASP 41 HA ASP 41 -10.439 2.675 -8.462 282 2HB ASP 41 2HB ASP 41 -12.760 1.151 -9.722 283 HD2 ASP 41 HD ASP 41 -10.679 3.942 -11.616 284 H PHE 42 H PHE 42 -13.515 0.835 -7.758 285 HA PHE 42 HA PHE 42 -15.144 2.993 -7.296 286 2HB PHE 42 2HB PHE 42 -14.909 0.119 -6.304 287 HD1 PHE 42 1HD PHE 42 -17.912 2.275 -6.529 288 HD2 PHE 42 2HD PHE 42 -15.390 -0.015 -4.001 289 HE1 PHE 42 1HE PHE 42 -19.577 2.501 -4.665 290 HE2 PHE 42 2HE PHE 42 -17.055 0.211 -2.135 291 HZ PHE 42 HZ PHE 42 -19.128 1.466 -2.490 292 H VAL 43 H VAL 43 -12.695 1.484 -5.183 293 HA VAL 43 HA VAL 43 -13.626 2.889 -2.858 294 HB VAL 43 HB VAL 43 -11.905 0.702 -3.486 295 1HG1 VAL 43 1HG1 VAL 43 -10.596 2.900 -1.855 296 2HG1 VAL 43 2HG1 VAL 43 -10.069 1.201 -1.842 297 3HG1 VAL 43 3HG1 VAL 43 -9.990 2.145 -3.348 298 1HG2 VAL 43 1HG2 VAL 43 -12.159 0.215 -1.088 299 2HG2 VAL 43 2HG2 VAL 43 -12.816 1.848 -0.824 300 3HG2 VAL 43 3HG2 VAL 43 -13.710 0.681 -1.827 301 H LYS 44 H LYS 44 -11.461 3.436 -5.577 302 HA LYS 44 HA LYS 44 -9.830 5.368 -4.317 303 2HB LYS 44 2HB LYS 44 -9.694 3.965 -6.631 304 2HG LYS 44 2HG LYS 44 -11.486 5.707 -7.509 305 2HD LYS 44 2HD LYS 44 -8.905 7.302 -7.380 306 2HE LYS 44 2HE LYS 44 -11.163 7.506 -9.411 307 1HZ LYS 44 1HZ LYS 44 -9.675 9.635 -8.132 308 2HZ LYS 44 2HZ LYS 44 -9.638 9.697 -9.760 309 H SER 45 H SER 45 -12.914 5.471 -6.169 310 HA SER 45 HA SER 45 -13.092 8.148 -6.544 311 2HB SER 45 2HB SER 45 -15.338 6.218 -5.805 312 HG SER 45 HG SER 45 -15.867 8.239 -7.647 313 H LEU 46 H LEU 46 -13.877 6.198 -3.612 314 HA LEU 46 HA LEU 46 -15.197 7.931 -2.058 315 2HB LEU 46 2HB LEU 46 -13.151 6.819 -0.434 316 HG LEU 46 HG LEU 46 -15.831 5.561 -1.060 317 1HD1 LEU 46 1HD1 LEU 46 -14.642 4.011 0.187 318 2HD1 LEU 46 2HD1 LEU 46 -13.815 5.259 1.149 319 3HD1 LEU 46 3HD1 LEU 46 -15.537 4.911 1.434 320 1HD2 LEU 46 1HD2 LEU 46 -16.928 7.184 -0.011 321 2HD2 LEU 46 2HD2 LEU 46 -15.786 7.164 1.354 322 3HD2 LEU 46 3HD2 LEU 46 -15.435 8.150 -0.086 323 H LYS 47 H LYS 47 -11.581 7.868 -2.416 324 HA LYS 47 HA LYS 47 -10.070 9.462 -2.194 325 2HB LYS 47 2HB LYS 47 -10.957 11.911 -2.357 326 2HG LYS 47 2HG LYS 47 -10.831 9.723 -4.391 327 2HD LYS 47 2HD LYS 47 -12.628 12.050 -4.675 328 2HE LYS 47 2HE LYS 47 -10.460 11.539 -6.767 329 1HZ LYS 47 1HZ LYS 47 -12.919 12.012 -7.464 330 2HZ LYS 47 2HZ LYS 47 -12.594 13.546 -7.025 331 H SER 48 H SER 48 -10.395 8.223 0.061 332 HA SER 48 HA SER 48 -11.210 10.121 2.078 333 2HB SER 48 2HB SER 48 -10.081 7.455 2.839 334 HG SER 48 HG SER 48 -12.623 7.933 3.683 335 HA PRO 49 HA PRO 49 -7.091 11.173 3.015 336 2HB PRO 49 2HB PRO 49 -7.752 13.058 4.161 337 2HG PRO 49 2HG PRO 49 -9.923 13.003 4.935 338 2HD PRO 49 2HD PRO 49 -10.841 11.489 3.468 339 H VAL 50 H VAL 50 -5.126 10.518 3.929 340 HA VAL 50 HA VAL 50 -5.310 8.547 6.019 341 HB VAL 50 HB VAL 50 -4.259 7.804 3.281 342 1HG1 VAL 50 1HG1 VAL 50 -4.163 6.463 5.970 343 2HG1 VAL 50 2HG1 VAL 50 -4.258 5.475 4.493 344 3HG1 VAL 50 3HG1 VAL 50 -2.902 6.604 4.722 345 1HG2 VAL 50 1HG2 VAL 50 -6.110 6.108 3.335 346 2HG2 VAL 50 2HG2 VAL 50 -6.758 6.941 4.768 347 3HG2 VAL 50 3HG2 VAL 50 -6.661 7.796 3.210 348 H ARG 51 H ARG 51 -3.178 8.061 6.936 349 HA ARG 51 HA ARG 51 -0.989 9.544 5.864 350 2HB ARG 51 2HB ARG 51 -1.534 11.391 7.151 351 2HG ARG 51 2HG ARG 51 -2.652 10.757 9.576 352 2HD ARG 51 2HD ARG 51 -4.345 10.846 7.047 353 HE ARG 51 HE ARG 51 -5.031 11.017 9.748 354 1HH1 ARG 51 2HH2 ARG 51 -5.296 13.186 6.960 355 2HH1 ARG 51 1HH2 ARG 51 -6.707 13.991 7.563 356 2HH2 ARG 51 1HH ARG 51 -7.626 13.323 9.673 357 H ILE 52 H ILE 52 1.034 8.680 6.587 358 HA ILE 52 HA ILE 52 1.104 6.930 8.849 359 HB ILE 52 HB ILE 52 2.122 5.206 6.957 360 2HG1 ILE 52 2HG1 ILE 52 1.093 6.520 5.147 361 1HG2 ILE 52 1HG2 ILE 52 -0.663 5.124 8.143 362 2HG2 ILE 52 2HG2 ILE 52 0.336 3.748 7.616 363 3HG2 ILE 52 3HG2 ILE 52 0.825 4.713 9.029 364 1HD1 ILE 52 1HD1 ILE 52 -0.234 4.665 4.128 365 2HD1 ILE 52 2HD1 ILE 52 1.276 4.073 4.863 366 3HD1 ILE 52 3HD1 ILE 52 -0.273 3.846 5.709 367 H LEU 53 H LEU 53 3.271 6.497 9.521 368 HA LEU 53 HA LEU 53 5.168 8.310 8.246 369 2HB LEU 53 2HB LEU 53 4.918 7.076 10.969 370 HG LEU 53 HG LEU 53 7.401 8.263 9.748 371 1HD1 LEU 53 1HD1 LEU 53 7.135 9.807 11.464 372 2HD1 LEU 53 2HD1 LEU 53 6.406 8.615 12.566 373 3HD1 LEU 53 3HD1 LEU 53 8.148 8.547 12.207 374 1HD2 LEU 53 1HD2 LEU 53 8.281 6.269 10.160 375 2HD2 LEU 53 2HD2 LEU 53 7.785 6.344 11.868 376 3HD2 LEU 53 3HD2 LEU 53 6.665 5.702 10.644 377 H CYS 54 H CYS 54 7.304 7.612 7.656 378 HA CYS 54 HA CYS 54 7.420 4.715 7.225 379 2HB CYS 54 2HB CYS 54 7.250 6.475 5.221 380 HG CYS 54 HG CYS 54 9.276 7.419 4.188 381 H ARG 55 H ARG 55 9.233 3.674 8.062 382 HA ARG 55 HA ARG 55 11.296 5.448 9.102 383 2HB ARG 55 2HB ARG 55 11.601 3.314 10.729 384 2HG ARG 55 2HG ARG 55 9.344 4.600 11.874 385 2HD ARG 55 2HD ARG 55 11.496 6.136 12.675 386 HE ARG 55 HE ARG 55 11.537 3.574 13.980 387 1HH1 ARG 55 2HH2 ARG 55 9.348 6.284 13.335 388 2HH1 ARG 55 1HH2 ARG 55 8.379 5.997 14.742 389 2HH2 ARG 55 1HH ARG 55 8.933 4.176 16.198 390 H ARG 56 H ARG 56 13.241 3.576 9.822 391 HA ARG 56 HA ARG 56 14.489 3.069 7.487 392 2HB ARG 56 2HB ARG 56 15.512 1.076 9.131 393 2HG ARG 56 2HG ARG 56 16.334 3.763 10.022 394 2HD ARG 56 2HD ARG 56 18.212 2.491 8.249 395 HE ARG 56 HE ARG 56 18.054 3.174 11.099 396 1HH1 ARG 56 2HH2 ARG 56 20.022 1.630 8.590 397 2HH1 ARG 56 1HH2 ARG 56 21.504 1.812 9.466 398 2HH2 ARG 56 1HH ARG 56 21.475 2.866 11.618 399 H GLY 57 H GLY 57 14.306 1.520 5.876 400 1HA GLY 57 1HA GLY 57 12.180 -0.158 5.593 401 2HA GLY 57 2HA GLY 57 13.735 -0.387 4.819 402 H ASP 58 H ASP 58 15.241 -0.733 7.374 403 HA ASP 58 HA ASP 58 15.144 -3.443 7.545 404 2HB ASP 58 2HB ASP 58 15.892 -1.684 9.910 405 HD2 ASP 58 HD ASP 58 17.689 -3.420 11.306 406 H THR 59 H THR 59 13.014 -1.020 8.880 407 HA THR 59 HA THR 59 11.825 -3.022 10.688 408 HB THR 59 HB THR 59 12.897 -0.513 11.312 409 HG1 THR 59 1HG THR 59 12.325 -1.568 13.169 410 1HG2 THR 59 1HG2 THR 59 11.078 0.965 11.813 411 2HG2 THR 59 2HG2 THR 59 10.750 0.437 10.145 412 3HG2 THR 59 3HG2 THR 59 9.862 -0.298 11.501 413 H LEU 60 H LEU 60 11.520 -2.101 7.650 414 HA LEU 60 HA LEU 60 8.984 -1.003 7.408 415 2HB LEU 60 2HB LEU 60 10.014 -2.992 5.431 416 HG LEU 60 HG LEU 60 7.994 -1.441 5.024 417 1HD1 LEU 60 1HD1 LEU 60 10.257 0.560 4.938 418 2HD1 LEU 60 2HD1 LEU 60 8.705 0.815 4.105 419 3HD1 LEU 60 3HD1 LEU 60 8.744 0.631 5.876 420 1HD2 LEU 60 1HD2 LEU 60 10.232 -1.272 2.997 421 2HD2 LEU 60 2HD2 LEU 60 9.299 -2.754 3.312 422 3HD2 LEU 60 3HD2 LEU 60 8.477 -1.297 2.704 423 H ASP 61 H ASP 61 10.079 -4.407 7.812 424 HA ASP 61 HA ASP 61 7.724 -5.652 7.283 425 2HB ASP 61 2HB ASP 61 9.873 -6.805 7.765 426 HD2 ASP 61 HD ASP 61 9.412 -7.900 10.814 427 H GLU 62 H GLU 62 8.985 -4.281 10.406 428 HA GLU 62 HA GLU 62 6.646 -4.973 11.826 429 2HB GLU 62 2HB GLU 62 8.332 -2.787 12.921 430 2HG GLU 62 2HG GLU 62 7.973 -5.597 14.009 431 HE2 GLU 62 HE GLU 62 10.086 -4.419 14.743 432 H ILE 63 H ILE 63 7.892 -2.033 10.174 433 HA ILE 63 HA ILE 63 6.004 -0.239 11.142 434 HB ILE 63 HB ILE 63 8.085 -0.329 9.177 435 2HG1 ILE 63 2HG1 ILE 63 6.735 2.141 10.263 436 1HG2 ILE 63 1HG2 ILE 63 6.334 -0.287 7.492 437 2HG2 ILE 63 2HG2 ILE 63 5.567 1.106 8.290 438 3HG2 ILE 63 3HG2 ILE 63 7.178 1.279 7.553 439 1HD1 ILE 63 1HD1 ILE 63 7.134 1.413 12.371 440 2HD1 ILE 63 2HD1 ILE 63 7.902 -0.076 11.769 441 3HD1 ILE 63 3HD1 ILE 63 8.867 1.407 11.966 442 H ILE 64 H ILE 64 5.786 -2.849 8.775 443 HA ILE 64 HA ILE 64 3.551 -1.930 7.375 444 HB ILE 64 HB ILE 64 4.753 -4.633 7.892 445 2HG1 ILE 64 2HG1 ILE 64 5.584 -2.657 6.265 446 1HG2 ILE 64 1HG2 ILE 64 2.268 -4.852 7.694 447 2HG2 ILE 64 2HG2 ILE 64 2.386 -4.120 6.077 448 3HG2 ILE 64 3HG2 ILE 64 3.189 -5.672 6.410 449 1HD1 ILE 64 1HD1 ILE 64 5.968 -5.046 4.756 450 2HD1 ILE 64 2HD1 ILE 64 7.092 -4.309 5.923 451 3HD1 ILE 64 3HD1 ILE 64 5.918 -5.530 6.468 452 H LYS 65 H LYS 65 3.858 -4.036 10.308 453 HA LYS 65 HA LYS 65 1.092 -4.375 10.622 454 2HB LYS 65 2HB LYS 65 2.866 -5.824 11.599 455 2HG LYS 65 2HG LYS 65 3.509 -3.273 12.977 456 2HD LYS 65 2HD LYS 65 3.305 -5.901 14.517 457 2HE LYS 65 2HE LYS 65 5.051 -3.504 14.864 458 1HZ LYS 65 1HZ LYS 65 4.236 -4.695 17.372 459 2HZ LYS 65 2HZ LYS 65 4.564 -3.136 17.035 460 H ARG 66 H ARG 66 3.385 -1.818 11.575 461 HA ARG 66 HA ARG 66 1.598 -0.625 13.386 462 2HB ARG 66 2HB ARG 66 3.230 1.397 13.006 463 2HG ARG 66 2HG ARG 66 5.184 -0.402 13.865 464 2HD ARG 66 2HD ARG 66 3.767 1.664 14.967 465 HE ARG 66 HE ARG 66 2.185 -0.541 15.682 466 1HH1 ARG 66 2HH2 ARG 66 4.031 1.932 17.423 467 2HH1 ARG 66 1HH2 ARG 66 3.002 1.897 18.815 468 2HH2 ARG 66 1HH ARG 66 1.124 0.409 18.849 469 H LEU 67 H LEU 67 2.276 -0.373 9.890 470 HA LEU 67 HA LEU 67 1.003 2.074 9.426 471 2HB LEU 67 2HB LEU 67 0.784 1.068 7.071 472 HG LEU 67 HG LEU 67 3.442 1.399 8.458 473 1HD1 LEU 67 1HD1 LEU 67 3.921 1.494 5.700 474 2HD1 LEU 67 2HD1 LEU 67 4.474 0.259 6.856 475 3HD1 LEU 67 3HD1 LEU 67 2.955 0.022 5.961 476 1HD2 LEU 67 1HD2 LEU 67 1.827 3.058 6.516 477 2HD2 LEU 67 2HD2 LEU 67 2.326 3.463 8.176 478 3HD2 LEU 67 3HD2 LEU 67 3.541 3.378 6.877 479 H LEU 68 H LEU 68 -0.199 -1.341 9.312 480 HA LEU 68 HA LEU 68 -2.725 -0.900 8.427 481 2HB LEU 68 2HB LEU 68 -3.140 -3.012 9.067 482 HG LEU 68 HG LEU 68 -0.213 -2.986 9.852 483 1HD1 LEU 68 1HD1 LEU 68 -2.030 -5.270 9.036 484 2HD1 LEU 68 2HD1 LEU 68 -0.273 -5.383 9.293 485 3HD1 LEU 68 3HD1 LEU 68 -1.347 -4.977 10.653 486 1HD2 LEU 68 1HD2 LEU 68 -0.555 -2.073 7.602 487 2HD2 LEU 68 2HD2 LEU 68 0.259 -3.655 7.557 488 3HD2 LEU 68 3HD2 LEU 68 -1.470 -3.532 7.148 489 H GLU 69 H GLU 69 -1.562 -0.673 11.857 490 HA GLU 69 HA GLU 69 -3.960 -0.026 12.971 491 2HB GLU 69 2HB GLU 69 -2.591 1.056 14.780 492 2HG GLU 69 2HG GLU 69 -0.803 -1.119 14.552 493 HE2 GLU 69 HE GLU 69 -2.506 -3.083 15.500 494 H GLU 70 H GLU 70 -1.946 1.849 10.816 495 HA GLU 70 HA GLU 70 -3.234 4.307 11.618 496 2HB GLU 70 2HB GLU 70 -1.682 5.316 9.874 497 2HG GLU 70 2HG GLU 70 0.376 3.999 11.345 498 HE2 GLU 70 HE GLU 70 1.593 5.768 11.879 499 H SER 71 H SER 71 -2.992 2.021 8.844 500 HA SER 71 HA SER 71 -4.917 3.605 7.399 501 2HB SER 71 2HB SER 71 -4.549 1.811 5.619 502 HG SER 71 HG SER 71 -3.162 3.857 5.992 503 H ASN 72 H ASN 72 -4.535 0.074 8.232 504 HA ASN 72 HA ASN 72 -6.925 -0.845 7.667 505 2HB ASN 72 2HB ASN 72 -6.230 -1.676 10.415 506 1HD2 ASN 72 1HD2 ASN 72 -6.351 -3.856 10.587 507 2HD2 ASN 72 2HD2 ASN 72 -6.771 -4.926 9.291 508 H LYS 73 H LYS 73 -6.083 1.407 10.299 509 HA LYS 73 HA LYS 73 -8.378 1.124 11.861 510 2HB LYS 73 2HB LYS 73 -7.408 3.819 11.942 511 2HG LYS 73 2HG LYS 73 -6.321 1.881 13.892 512 2HD LYS 73 2HD LYS 73 -6.990 4.523 13.941 513 2HE LYS 73 2HE LYS 73 -9.211 3.405 15.618 514 1HZ LYS 73 1HZ LYS 73 -8.484 5.900 14.312 515 2HZ LYS 73 2HZ LYS 73 -10.082 5.589 14.358 516 H GLU 74 H GLU 74 -7.592 3.466 9.200 517 HA GLU 74 HA GLU 74 -10.383 4.212 9.185 518 2HB GLU 74 2HB GLU 74 -8.538 5.943 9.114 519 2HG GLU 74 2HG GLU 74 -7.201 4.439 7.395 520 HE2 GLU 74 HE GLU 74 -6.734 4.501 5.188 521 H GLY 75 H GLY 75 -8.725 1.669 8.009 522 1HA GLY 75 1HA GLY 75 -10.207 1.659 5.447 523 2HA GLY 75 2HA GLY 75 -8.593 1.003 5.624 524 H ILE 76 H ILE 76 -9.878 -0.957 4.725 525 HA ILE 76 HA ILE 76 -11.416 -2.302 6.792 526 HB ILE 76 HB ILE 76 -11.044 -2.605 3.848 527 2HG1 ILE 76 2HG1 ILE 76 -13.347 -2.344 3.742 528 1HG2 ILE 76 1HG2 ILE 76 -12.032 -4.800 3.823 529 2HG2 ILE 76 2HG2 ILE 76 -10.554 -4.842 4.814 530 3HG2 ILE 76 3HG2 ILE 76 -12.152 -4.816 5.600 531 1HD1 ILE 76 1HD1 ILE 76 -13.313 -3.436 6.562 532 2HD1 ILE 76 2HD1 ILE 76 -14.679 -2.428 6.028 533 3HD1 ILE 76 3HD1 ILE 76 -14.302 -3.942 5.171 534 H HIS 77 H HIS 77 -10.928 -4.679 7.187 535 HA HIS 77 HA HIS 77 -8.398 -4.932 8.217 536 2HB HIS 77 2HB HIS 77 -10.542 -6.918 7.488 537 HD1 HIS 77 1HD HIS 77 -10.100 -9.387 7.721 538 HD2 HIS 77 2HD HIS 77 -6.888 -7.048 9.065 539 HE1 HIS 77 1HE HIS 77 -8.205 -11.011 8.250 540 H VAL 78 H VAL 78 -6.618 -4.549 6.932 541 HA VAL 78 HA VAL 78 -6.255 -6.450 4.737 542 HB VAL 78 HB VAL 78 -6.768 -3.699 4.431 543 1HG1 VAL 78 1HG1 VAL 78 -4.792 -2.739 3.520 544 2HG1 VAL 78 2HG1 VAL 78 -4.329 -3.431 5.093 545 3HG1 VAL 78 3HG1 VAL 78 -3.918 -4.289 3.589 546 1HG2 VAL 78 1HG2 VAL 78 -6.936 -5.907 2.911 547 2HG2 VAL 78 2HG2 VAL 78 -6.971 -4.262 2.231 548 3HG2 VAL 78 3HG2 VAL 78 -5.459 -5.200 2.214 549 H ILE 79 H ILE 79 -4.179 -7.299 4.598 550 HA ILE 79 HA ILE 79 -2.305 -6.268 6.614 551 HB ILE 79 HB ILE 79 -1.435 -8.616 6.673 552 2HG1 ILE 79 2HG1 ILE 79 -2.707 -9.154 4.448 553 1HG2 ILE 79 1HG2 ILE 79 -2.570 -8.711 8.574 554 2HG2 ILE 79 2HG2 ILE 79 -3.647 -7.424 7.982 555 3HG2 ILE 79 3HG2 ILE 79 -4.061 -9.131 7.696 556 1HD1 ILE 79 1HD1 ILE 79 -3.189 -11.531 5.936 557 2HD1 ILE 79 2HD1 ILE 79 -1.751 -11.139 4.963 558 3HD1 ILE 79 3HD1 ILE 79 -1.786 -10.745 6.698 559 H HIS 80 H HIS 80 -2.245 -4.897 4.312 560 HA HIS 80 HA HIS 80 -0.436 -6.220 2.491 561 2HB HIS 80 2HB HIS 80 -0.627 -3.917 1.328 562 HD1 HIS 80 1HD HIS 80 -1.889 -7.132 1.545 563 HD2 HIS 80 2HD HIS 80 -3.526 -3.584 0.020 564 HE1 HIS 80 1HE HIS 80 -3.718 -7.834 -0.090 565 H ASP 81 H ASP 81 1.529 -4.826 1.718 566 HA ASP 81 HA ASP 81 2.839 -3.936 4.156 567 2HB ASP 81 2HB ASP 81 4.958 -4.284 2.761 568 HD2 ASP 81 HD ASP 81 3.523 -7.021 4.787 569 H SER 82 H SER 82 4.478 -2.073 3.792 570 HA SER 82 HA SER 82 3.191 0.068 2.622 571 2HB SER 82 2HB SER 82 6.183 -0.100 3.153 572 HG SER 82 HG SER 82 5.799 2.129 3.836 573 H ILE 83 H ILE 83 5.489 -2.322 1.355 574 HA ILE 83 HA ILE 83 6.201 -0.790 -0.942 575 HB ILE 83 HB ILE 83 6.485 -3.754 -0.448 576 2HG1 ILE 83 2HG1 ILE 83 7.511 -2.723 1.418 577 1HG2 ILE 83 1HG2 ILE 83 8.088 -3.783 -2.146 578 2HG2 ILE 83 2HG2 ILE 83 6.781 -2.770 -2.804 579 3HG2 ILE 83 3HG2 ILE 83 8.255 -2.011 -2.156 580 1HD1 ILE 83 1HD1 ILE 83 9.789 -2.867 -0.591 581 2HD1 ILE 83 2HD1 ILE 83 9.811 -3.292 1.137 582 3HD1 ILE 83 3HD1 ILE 83 8.949 -4.330 -0.023 583 H THR 84 H THR 84 3.681 -3.154 -0.057 584 HA THR 84 HA THR 84 2.812 -3.488 -2.776 585 HB THR 84 HB THR 84 2.253 -4.571 -0.069 586 HG1 THR 84 1HG THR 84 3.178 -5.887 -1.689 587 1HG2 THR 84 1HG2 THR 84 0.031 -4.413 -2.175 588 2HG2 THR 84 2HG2 THR 84 -0.007 -5.408 -0.699 589 3HG2 THR 84 3HG2 THR 84 -0.022 -3.632 -0.576 590 H LEU 85 H LEU 85 2.029 -1.375 -0.021 591 HA LEU 85 HA LEU 85 -0.439 -0.484 -0.955 592 2HB LEU 85 2HB LEU 85 0.471 1.642 0.407 593 HG LEU 85 HG LEU 85 -1.336 0.603 1.415 594 1HD1 LEU 85 1HD1 LEU 85 -1.543 -1.551 0.770 595 2HD1 LEU 85 2HD1 LEU 85 0.194 -1.894 0.954 596 3HD1 LEU 85 3HD1 LEU 85 -0.864 -1.865 2.385 597 1HD2 LEU 85 1HD2 LEU 85 0.413 1.447 3.040 598 2HD2 LEU 85 2HD2 LEU 85 -0.779 0.297 3.693 599 3HD2 LEU 85 3HD2 LEU 85 0.867 -0.254 3.298 600 H ALA 86 H ALA 86 2.930 0.460 -1.735 601 HA ALA 86 HA ALA 86 2.232 2.769 -3.191 602 1HB ALA 86 1HB ALA 86 4.608 1.102 -2.648 603 2HB ALA 86 2HB ALA 86 4.626 1.886 -4.245 604 3HB ALA 86 3HB ALA 86 4.457 2.871 -2.773 605 H PHE 87 H PHE 87 2.760 -0.694 -4.077 606 HA PHE 87 HA PHE 87 2.396 -0.234 -6.842 607 2HB PHE 87 2HB PHE 87 1.699 -2.890 -5.637 608 HD1 PHE 87 1HD PHE 87 1.372 -3.611 -7.916 609 HD2 PHE 87 2HD PHE 87 5.080 -1.943 -6.699 610 HE1 PHE 87 1HE PHE 87 2.442 -4.445 -10.028 611 HE2 PHE 87 2HE PHE 87 6.149 -2.779 -8.811 612 HZ PHE 87 HZ PHE 87 4.818 -4.020 -10.450 613 H LEU 88 H LEU 88 0.260 -1.449 -4.180 614 HA LEU 88 HA LEU 88 -1.937 -1.969 -5.834 615 2HB LEU 88 2HB LEU 88 -3.097 -1.532 -3.470 616 HG LEU 88 HG LEU 88 -3.091 -3.752 -4.319 617 1HD1 LEU 88 1HD1 LEU 88 -0.946 -5.162 -4.098 618 2HD1 LEU 88 2HD1 LEU 88 -1.072 -4.014 -5.454 619 3HD1 LEU 88 3HD1 LEU 88 -0.098 -3.598 -4.023 620 1HD2 LEU 88 1HD2 LEU 88 -2.079 -3.292 -1.576 621 2HD2 LEU 88 2HD2 LEU 88 -3.536 -4.142 -2.145 622 3HD2 LEU 88 3HD2 LEU 88 -1.955 -4.960 -2.186 623 H ILE 89 H ILE 89 -1.038 0.920 -3.837 624 HA ILE 89 HA ILE 89 -3.303 2.404 -4.538 625 HB ILE 89 HB ILE 89 -0.556 3.204 -3.581 626 2HG1 ILE 89 2HG1 ILE 89 -2.186 1.751 -2.169 627 1HG2 ILE 89 1HG2 ILE 89 -1.516 5.092 -4.758 628 2HG2 ILE 89 2HG2 ILE 89 -3.045 4.909 -3.865 629 3HG2 ILE 89 3HG2 ILE 89 -1.562 5.381 -3.002 630 1HD1 ILE 89 1HD1 ILE 89 -0.145 3.338 -1.478 631 2HD1 ILE 89 2HD1 ILE 89 -1.450 4.311 -0.762 632 3HD1 ILE 89 3HD1 ILE 89 -1.210 2.626 -0.243 633 H ARG 90 H ARG 90 0.048 2.310 -5.919 634 HA ARG 90 HA ARG 90 -0.045 4.235 -7.699 635 2HB ARG 90 2HB ARG 90 0.991 2.143 -9.257 636 2HG ARG 90 2HG ARG 90 2.548 3.385 -6.964 637 2HD ARG 90 2HD ARG 90 3.484 3.325 -9.813 638 HE ARG 90 HE ARG 90 4.694 3.727 -7.318 639 1HH1 ARG 90 2HH2 ARG 90 5.240 1.578 -10.082 640 2HH1 ARG 90 1HH2 ARG 90 6.945 1.450 -9.804 641 2HH2 ARG 90 1HH ARG 90 7.924 2.623 -7.957 642 H GLU 91 H GLU 91 -1.855 1.151 -7.863 643 HA GLU 91 HA GLU 91 -2.643 1.429 -10.532 644 2HB GLU 91 2HB GLU 91 -4.623 -0.099 -9.273 645 2HG GLU 91 2HG GLU 91 -2.431 -1.829 -9.772 646 HE2 GLU 91 HE GLU 91 -4.165 -0.045 -12.216 647 H LYS 92 H LYS 92 -4.151 2.331 -7.374 648 HA LYS 92 HA LYS 92 -6.386 3.529 -8.786 649 2HB LYS 92 2HB LYS 92 -6.659 2.122 -6.712 650 2HG LYS 92 2HG LYS 92 -4.618 3.417 -5.602 651 2HD LYS 92 2HD LYS 92 -6.682 5.447 -5.677 652 2HE LYS 92 2HE LYS 92 -6.074 4.231 -2.983 653 1HZ LYS 92 1HZ LYS 92 -5.136 6.470 -2.858 654 2HZ LYS 92 2HZ LYS 92 -6.497 7.134 -3.460 655 H ALA 93 H ALA 93 -3.243 4.374 -8.278 656 HA ALA 93 HA ALA 93 -3.742 7.102 -8.758 657 1HB ALA 93 1HB ALA 93 -3.180 6.227 -5.935 658 2HB ALA 93 2HB ALA 93 -2.455 7.742 -6.525 659 3HB ALA 93 3HB ALA 93 -4.224 7.540 -6.531 660 H SER 94 H SER 94 -2.393 6.235 -10.532 661 HA SER 94 HA SER 94 0.215 5.344 -9.881 662 2HB SER 94 2HB SER 94 -0.613 4.443 -11.890 663 HG SER 94 HG SER 94 -1.669 7.052 -12.274 664 H HIS 95 H HIS 95 -1.175 8.320 -9.561 665 HA HIS 95 HA HIS 95 0.953 9.855 -10.765 666 2HB HIS 95 2HB HIS 95 -0.540 11.636 -9.326 667 HD1 HIS 95 1HD HIS 95 0.986 11.935 -11.877 668 HD2 HIS 95 2HD HIS 95 -3.129 11.123 -11.841 669 HE1 HIS 95 1HE HIS 95 0.088 12.700 -14.138 670 H ARG 96 H ARG 96 -0.414 10.754 -7.618 671 HA ARG 96 HA ARG 96 2.265 10.767 -6.593 672 2HB ARG 96 2HB ARG 96 1.355 12.126 -4.778 673 2HG ARG 96 2HG ARG 96 -0.465 13.384 -6.617 674 2HD ARG 96 2HD ARG 96 2.217 13.861 -5.407 675 HE ARG 96 HE ARG 96 1.884 14.511 -8.169 676 1HH1 ARG 96 2HH2 ARG 96 2.837 16.081 -5.139 677 2HH1 ARG 96 1HH2 ARG 96 3.847 17.252 -5.919 678 2HH2 ARG 96 1HH ARG 96 4.055 17.218 -8.307 679 H ILE 97 H ILE 97 3.001 8.871 -5.675 680 HA ILE 97 HA ILE 97 1.065 7.357 -4.064 681 HB ILE 97 HB ILE 97 3.484 6.152 -5.369 682 2HG1 ILE 97 2HG1 ILE 97 1.174 7.233 -6.737 683 1HG2 ILE 97 1HG2 ILE 97 2.752 4.480 -4.069 684 2HG2 ILE 97 2HG2 ILE 97 1.147 5.215 -3.848 685 3HG2 ILE 97 3HG2 ILE 97 1.500 4.276 -5.318 686 1HD1 ILE 97 1HD1 ILE 97 2.542 6.368 -8.720 687 2HD1 ILE 97 2HD1 ILE 97 3.394 7.498 -7.641 688 3HD1 ILE 97 3HD1 ILE 97 3.715 5.751 -7.532 689 H VAL 98 H VAL 98 2.344 5.914 -2.380 690 HA VAL 98 HA VAL 98 4.036 7.800 -0.948 691 HB VAL 98 HB VAL 98 2.217 6.976 0.307 692 1HG1 VAL 98 1HG1 VAL 98 1.390 5.101 -0.793 693 2HG1 VAL 98 2HG1 VAL 98 2.976 4.293 -0.832 694 3HG1 VAL 98 3HG1 VAL 98 2.068 4.398 0.695 695 1HG2 VAL 98 1HG2 VAL 98 3.289 5.867 2.180 696 2HG2 VAL 98 2HG2 VAL 98 4.633 5.336 1.140 697 3HG2 VAL 98 3HG2 VAL 98 4.404 7.068 1.484 698 H HIS 99 H HIS 99 6.125 7.216 -0.125 699 HA HIS 99 HA HIS 99 7.267 4.890 -1.495 700 2HB HIS 99 2HB HIS 99 9.425 6.307 -1.453 701 HD1 HIS 99 1HD HIS 99 7.793 8.886 -3.265 702 HD2 HIS 99 2HD HIS 99 8.355 4.783 -3.930 703 HE1 HIS 99 1HE HIS 99 7.456 8.515 -5.766 704 H ARG 100 H ARG 100 9.738 4.748 -0.306 705 HA ARG 100 HA ARG 100 9.570 5.171 2.466 706 2HB ARG 100 2HB ARG 100 8.071 3.161 2.252 707 2HG ARG 100 2HG ARG 100 9.872 2.319 0.317 708 2HD ARG 100 2HD ARG 100 10.335 0.711 2.876 709 HE ARG 100 HE ARG 100 10.252 -0.309 0.271 710 1HH1 ARG 100 2HH2 ARG 100 12.736 0.015 2.776 711 2HH1 ARG 100 1HH2 ARG 100 13.622 -1.378 2.251 712 2HH2 ARG 100 1HH ARG 100 12.831 -2.633 0.370 713 H VAL 101 H VAL 101 11.692 5.598 2.995 714 HA VAL 101 HA VAL 101 13.746 4.203 1.424 715 HB VAL 101 HB VAL 101 13.825 6.496 0.914 716 1HG1 VAL 101 1HG1 VAL 101 13.581 7.020 3.893 717 2HG1 VAL 101 2HG1 VAL 101 13.965 8.268 2.683 718 3HG1 VAL 101 3HG1 VAL 101 12.401 7.419 2.621 719 1HG2 VAL 101 1HG2 VAL 101 16.016 7.080 1.511 720 2HG2 VAL 101 2HG2 VAL 101 15.885 6.322 3.116 721 3HG2 VAL 101 3HG2 VAL 101 15.994 5.306 1.658 722 H VAL 102 H VAL 102 15.645 3.451 2.554 723 HA VAL 102 HA VAL 102 15.118 3.066 5.418 724 HB VAL 102 HB VAL 102 15.009 1.036 4.050 725 1HG1 VAL 102 1HG1 VAL 102 17.275 2.174 2.747 726 2HG1 VAL 102 2HG1 VAL 102 17.785 0.630 3.470 727 3HG1 VAL 102 3HG1 VAL 102 16.403 0.675 2.349 728 1HG2 VAL 102 1HG2 VAL 102 17.567 0.689 5.553 729 2HG2 VAL 102 2HG2 VAL 102 16.153 1.290 6.453 730 3HG2 VAL 102 3HG2 VAL 102 16.068 -0.270 5.599 731 H LYS 103 H LYS 103 16.104 5.128 5.942 732 HA LYS 103 HA LYS 103 18.801 4.915 6.566 733 2HB LYS 103 2HB LYS 103 18.501 6.928 4.357 734 2HG LYS 103 2HG LYS 103 20.830 5.244 5.394 735 2HD LYS 103 2HD LYS 103 21.737 7.583 4.098 736 2HE LYS 103 2HE LYS 103 21.628 4.640 3.359 737 1HZ LYS 103 1HZ LYS 103 23.144 6.649 1.806 738 2HZ LYS 103 2HZ LYS 103 22.860 5.093 1.419 739 H SER 104 H SER 104 15.999 6.998 5.747 740 HA SER 104 HA SER 104 16.568 8.422 8.218 741 2HB SER 104 2HB SER 104 15.323 9.987 5.988 742 HG SER 104 HG SER 104 17.134 10.449 8.172 743 H ASP 105 H ASP 105 14.412 9.919 8.653 744 HA ASP 105 HA ASP 105 12.244 8.004 8.416 745 2HB ASP 105 2HB ASP 105 13.004 10.151 10.383 746 HD2 ASP 105 HD ASP 105 9.738 11.230 9.711 747 H PHE 106 H PHE 106 10.229 8.671 7.472 748 HA PHE 106 HA PHE 106 9.835 11.446 6.827 749 2HB PHE 106 2HB PHE 106 9.439 9.785 4.430 750 HD1 PHE 106 1HD PHE 106 8.723 12.469 4.652 751 HD2 PHE 106 2HD PHE 106 12.599 10.908 3.907 752 HE1 PHE 106 1HE PHE 106 9.378 14.623 3.542 753 HE2 PHE 106 2HE PHE 106 13.253 13.061 2.797 754 HZ PHE 106 HZ PHE 106 11.635 14.894 2.628 755 H GLU 107 H GLU 107 7.651 11.940 6.674 756 HA GLU 107 HA GLU 107 5.899 9.635 6.950 757 2HB GLU 107 2HB GLU 107 4.262 11.356 7.874 758 2HG GLU 107 2HG GLU 107 6.817 11.557 9.467 759 HE2 GLU 107 HE GLU 107 4.719 11.827 12.148 760 H ILE 108 H ILE 108 4.096 9.355 5.575 761 HA ILE 108 HA ILE 108 3.832 11.348 3.442 762 HB ILE 108 HB ILE 108 3.515 8.451 2.813 763 2HG1 ILE 108 2HG1 ILE 108 6.107 9.811 3.425 764 1HG2 ILE 108 1HG2 ILE 108 3.196 9.300 0.792 765 2HG2 ILE 108 2HG2 ILE 108 3.509 10.941 1.406 766 3HG2 ILE 108 3HG2 ILE 108 4.855 9.943 0.805 767 1HD1 ILE 108 1HD1 ILE 108 6.265 6.985 3.463 768 2HD1 ILE 108 2HD1 ILE 108 6.118 8.067 4.869 769 3HD1 ILE 108 3HD1 ILE 108 4.658 7.376 4.120 770 H GLY 109 H GLY 109 1.727 11.834 2.846 771 1HA GLY 109 1HA GLY 109 -0.436 10.145 3.837 772 2HA GLY 109 2HA GLY 109 -0.331 11.761 4.506 773 H VAL 110 H VAL 110 -2.600 11.040 3.059 774 HA VAL 110 HA VAL 110 -2.437 12.935 0.896 775 HB VAL 110 HB VAL 110 -2.175 10.156 0.391 776 1HG1 VAL 110 1HG1 VAL 110 -4.830 11.295 -0.543 777 2HG1 VAL 110 2HG1 VAL 110 -4.087 9.799 -1.161 778 3HG1 VAL 110 3HG1 VAL 110 -4.582 9.909 0.546 779 1HG2 VAL 110 1HG2 VAL 110 -1.900 10.862 -1.893 780 2HG2 VAL 110 2HG2 VAL 110 -2.759 12.389 -1.578 781 3HG2 VAL 110 3HG2 VAL 110 -1.167 12.095 -0.839 782 H THR 111 H THR 111 -4.649 13.502 0.096 783 HA THR 111 HA THR 111 -6.637 12.936 2.196 784 HB THR 111 HB THR 111 -7.409 15.208 1.876 785 HG1 THR 111 1HG THR 111 -5.474 15.217 -0.329 786 1HG2 THR 111 1HG2 THR 111 -5.282 15.265 3.123 787 2HG2 THR 111 2HG2 THR 111 -4.358 15.152 1.606 788 3HG2 THR 111 3HG2 THR 111 -5.301 16.618 1.967 789 H ARG 112 H ARG 112 -5.829 12.785 -1.213 790 HA ARG 112 HA ARG 112 -8.371 11.484 -1.600 791 2HB ARG 112 2HB ARG 112 -9.222 13.015 -3.065 792 2HG ARG 112 2HG ARG 112 -6.799 14.578 -2.077 793 2HD ARG 112 2HD ARG 112 -7.987 15.257 -4.408 794 HE ARG 112 HE ARG 112 -10.176 15.931 -3.988 795 1HH1 ARG 112 2HH2 ARG 112 -8.221 16.721 -1.140 796 2HH1 ARG 112 1HH2 ARG 112 -9.527 17.489 -0.302 797 2HH2 ARG 112 1HH ARG 112 -11.681 17.608 -1.345 798 H ASP 113 H ASP 113 -5.269 12.577 -3.155 799 HA ASP 113 HA ASP 113 -4.101 10.238 -3.491 800 2HB ASP 113 2HB ASP 113 -6.368 10.496 -5.397 801 HD2 ASP 113 HD ASP 113 -6.315 9.527 -7.430 802 H GLY 114 H GLY 114 -5.133 13.332 -4.867 803 1HA GLY 114 1HA GLY 114 -2.886 13.602 -6.666 804 2HA GLY 114 2HA GLY 114 -4.130 14.785 -6.313 805 H GLU 115 H GLU 115 -4.076 15.532 -3.816 806 HA GLU 115 HA GLU 115 -1.441 16.589 -3.503 807 2HB GLU 115 2HB GLU 115 -2.426 18.211 -2.172 808 2HG GLU 115 2HG GLU 115 -5.066 17.199 -3.248 809 HE2 GLU 115 HE GLU 115 -3.466 20.741 -3.609 810 H ILE 116 H ILE 116 0.119 15.879 -2.088 811 HA ILE 116 HA ILE 116 -0.753 13.895 -0.101 812 HB ILE 116 HB ILE 116 1.108 12.596 -0.500 813 2HG1 ILE 116 2HG1 ILE 116 2.360 15.126 -1.297 814 1HG2 ILE 116 1HG2 ILE 116 0.901 13.451 -3.334 815 2HG2 ILE 116 2HG2 ILE 116 0.722 11.842 -2.595 816 3HG2 ILE 116 3HG2 ILE 116 -0.618 13.011 -2.518 817 1HD1 ILE 116 1HD1 ILE 116 3.017 13.845 0.710 818 2HD1 ILE 116 2HD1 ILE 116 3.394 12.430 -0.304 819 3HD1 ILE 116 3HD1 ILE 116 4.368 13.913 -0.448 820 H ILE 117 H ILE 117 0.971 13.729 1.747 821 HA ILE 117 HA ILE 117 2.021 16.403 2.317 822 HB ILE 117 HB ILE 117 1.242 16.095 4.673 823 2HG1 ILE 117 2HG1 ILE 117 0.066 13.648 3.467 824 1HG2 ILE 117 1HG2 ILE 117 -0.034 17.179 2.466 825 2HG2 ILE 117 2HG2 ILE 117 -1.302 16.211 3.255 826 3HG2 ILE 117 3HG2 ILE 117 -0.440 17.466 4.175 827 1HD1 ILE 117 1HD1 ILE 117 1.530 13.029 5.133 828 2HD1 ILE 117 2HD1 ILE 117 1.367 14.580 5.993 829 3HD1 ILE 117 3HD1 ILE 117 0.115 13.327 6.173 830 H VAL 118 H VAL 118 3.995 16.430 3.411 831 HA VAL 118 HA VAL 118 5.083 13.780 4.054 832 HB VAL 118 HB VAL 118 7.294 15.032 3.304 833 1HG1 VAL 118 1HG1 VAL 118 5.438 13.188 2.064 834 2HG1 VAL 118 2HG1 VAL 118 6.259 14.172 0.830 835 3HG1 VAL 118 3HG1 VAL 118 7.216 13.226 1.995 836 1HG2 VAL 118 1HG2 VAL 118 5.384 16.190 1.279 837 2HG2 VAL 118 2HG2 VAL 118 5.813 17.097 2.749 838 3HG2 VAL 118 3HG2 VAL 118 7.084 16.611 1.601 839 H ASP 119 H ASP 119 6.710 13.783 5.764 840 HA ASP 119 HA ASP 119 7.279 16.171 7.124 841 2HB ASP 119 2HB ASP 119 5.640 14.257 8.798 842 HD2 ASP 119 HD ASP 119 4.110 16.893 9.039 843 H LEU 120 H LEU 120 9.367 15.682 7.808 844 HA LEU 120 HA LEU 120 10.126 12.924 8.108 845 2HB LEU 120 2HB LEU 120 12.378 13.965 8.549 846 HG LEU 120 HG LEU 120 11.107 13.640 6.103 847 1HD1 LEU 120 1HD1 LEU 120 10.584 15.989 5.909 848 2HD1 LEU 120 2HD1 LEU 120 12.277 16.432 6.240 849 3HD1 LEU 120 3HD1 LEU 120 11.860 15.567 4.741 850 1HD2 LEU 120 1HD2 LEU 120 13.563 14.072 5.258 851 2HD2 LEU 120 2HD2 LEU 120 13.921 14.123 7.000 852 3HD2 LEU 120 3HD2 LEU 120 13.176 12.672 6.286 853 H ASN 121 H ASN 121 8.175 13.249 9.932 854 HA ASN 121 HA ASN 121 7.701 12.981 12.029 855 2HB ASN 121 2HB ASN 121 10.708 12.529 12.184 856 1HD2 ASN 121 1HD2 ASN 121 7.890 11.614 14.139 857 2HD2 ASN 121 2HD2 ASN 121 8.532 12.063 15.684 858 H SER 122 H SER 122 7.348 14.366 13.879 859 HA SER 122 HA SER 122 9.160 16.279 14.711 860 2HB SER 122 2HB SER 122 8.682 17.403 12.569 861 HG SER 122 HG SER 122 5.949 17.635 13.487 Start of MODEL 4 1 H MET 1 H MET 1 6.752 -7.384 -18.367 2 HA MET 1 HA MET 1 6.638 -4.671 -17.305 3 2HB MET 1 2HB MET 1 5.114 -4.645 -19.620 4 2HG MET 1 2HG MET 1 8.151 -4.345 -19.421 5 1HE MET 1 1HE MET 1 8.464 -4.640 -23.117 6 2HE MET 1 2HE MET 1 9.374 -4.376 -21.611 7 3HE MET 1 3HE MET 1 8.194 -5.704 -21.717 8 H ARG 2 H ARG 2 5.367 -5.512 -15.443 9 HA ARG 2 HA ARG 2 2.687 -5.101 -15.813 10 2HB ARG 2 2HB ARG 2 2.552 -7.868 -14.974 11 2HG ARG 2 2HG ARG 2 1.455 -7.745 -17.524 12 2HD ARG 2 2HD ARG 2 0.427 -7.129 -14.750 13 HE ARG 2 HE ARG 2 -1.682 -7.183 -16.728 14 1HH1 ARG 2 2HH2 ARG 2 0.671 -5.000 -15.227 15 2HH1 ARG 2 1HH2 ARG 2 -0.277 -3.580 -15.515 16 2HH2 ARG 2 1HH ARG 2 -2.394 -3.784 -16.620 17 H GLU 3 H GLU 3 4.599 -7.575 -13.929 18 HA GLU 3 HA GLU 3 3.717 -6.179 -11.528 19 2HB GLU 3 2HB GLU 3 4.898 -8.861 -11.161 20 2HG GLU 3 2HG GLU 3 2.072 -7.947 -10.528 21 HE2 GLU 3 HE GLU 3 1.346 -10.051 -9.910 22 H ARG 4 H ARG 4 5.273 -5.818 -9.795 23 HA ARG 4 HA ARG 4 7.874 -6.593 -9.866 24 2HB ARG 4 2HB ARG 4 8.250 -5.331 -11.908 25 2HG ARG 4 2HG ARG 4 7.525 -2.680 -10.761 26 2HD ARG 4 2HD ARG 4 6.365 -3.496 -13.343 27 HE ARG 4 HE ARG 4 6.742 -1.175 -13.237 28 1HH1 ARG 4 2HH2 ARG 4 9.749 -2.894 -12.490 29 2HH1 ARG 4 1HH2 ARG 4 10.727 -1.466 -12.550 30 2HH2 ARG 4 1HH ARG 4 9.696 0.642 -13.039 31 H GLY 5 H GLY 5 6.116 -6.414 -7.827 32 1HA GLY 5 1HA GLY 5 7.243 -4.295 -6.158 33 2HA GLY 5 2HA GLY 5 5.504 -4.306 -6.374 34 H TRP 6 H TRP 6 4.406 -6.560 -6.009 35 HA TRP 6 HA TRP 6 5.552 -7.628 -3.539 36 2HB TRP 6 2HB TRP 6 3.468 -7.142 -2.897 37 HD1 TRP 6 HD TRP 6 2.379 -4.991 -4.053 38 HE1 TRP 6 1HE TRP 6 0.663 -4.534 -6.004 39 HE3 TRP 6 3HE TRP 6 2.456 -9.714 -5.933 40 HZ2 TRP 6 2HZ TRP 6 -0.445 -6.163 -8.069 41 HZ3 TRP 6 3HZ TRP 6 1.028 -10.198 -7.918 42 HH2 TRP 6 HH TRP 6 -0.388 -8.513 -8.981 43 H SER 7 H SER 7 6.918 -8.359 -5.877 44 HA SER 7 HA SER 7 5.826 -10.676 -7.021 45 2HB SER 7 2HB SER 7 8.526 -9.325 -7.034 46 HG SER 7 HG SER 7 9.255 -11.418 -7.173 47 H GLN 8 H GLN 8 8.491 -10.092 -4.612 48 HA GLN 8 HA GLN 8 7.747 -12.247 -3.043 49 2HB GLN 8 2HB GLN 8 10.174 -12.811 -4.803 50 2HG GLN 8 2HG GLN 8 8.825 -14.820 -3.001 51 1HE2 GLN 8 1HE2 GLN 8 10.707 -16.094 -1.971 52 2HE2 GLN 8 2HE2 GLN 8 11.985 -16.570 -3.039 53 H LYS 9 H LYS 9 8.057 -10.056 -1.895 54 HA LYS 9 HA LYS 9 10.818 -9.345 -1.434 55 2HB LYS 9 2HB LYS 9 8.295 -8.188 -0.216 56 2HG LYS 9 2HG LYS 9 10.916 -7.784 0.534 57 2HD LYS 9 2HD LYS 9 10.207 -5.727 -1.611 58 2HE LYS 9 2HE LYS 9 12.784 -5.628 -0.071 59 1HZ LYS 9 1HZ LYS 9 12.336 -3.235 -0.438 60 2HZ LYS 9 2HZ LYS 9 12.337 -4.054 -1.845 61 H LYS 10 H LYS 10 8.105 -9.820 0.919 62 HA LYS 10 HA LYS 10 9.529 -11.933 2.227 63 2HB LYS 10 2HB LYS 10 9.123 -9.904 4.246 64 2HG LYS 10 2HG LYS 10 11.715 -11.141 3.222 65 2HD LYS 10 2HD LYS 10 10.785 -9.769 5.731 66 2HE LYS 10 2HE LYS 10 11.392 -12.234 6.298 67 1HZ LYS 10 1HZ LYS 10 13.356 -12.214 4.734 68 2HZ LYS 10 2HZ LYS 10 14.137 -11.238 5.777 69 H ILE 11 H ILE 11 7.319 -9.430 3.594 70 HA ILE 11 HA ILE 11 5.521 -11.408 4.486 71 HB ILE 11 HB ILE 11 5.096 -8.432 4.195 72 2HG1 ILE 11 2HG1 ILE 11 7.135 -8.758 5.415 73 1HG2 ILE 11 1HG2 ILE 11 3.130 -8.705 5.189 74 2HG2 ILE 11 2HG2 ILE 11 3.319 -10.460 4.954 75 3HG2 ILE 11 3HG2 ILE 11 3.850 -9.703 6.474 76 1HD1 ILE 11 1HD1 ILE 11 4.728 -7.725 6.625 77 2HD1 ILE 11 2HD1 ILE 11 5.706 -8.510 7.889 78 3HD1 ILE 11 3HD1 ILE 11 6.410 -7.210 6.895 79 H ALA 12 H ALA 12 6.162 -10.228 1.380 80 HA ALA 12 HA ALA 12 3.835 -9.722 0.152 81 1HB ALA 12 1HB ALA 12 5.377 -9.788 -1.487 82 2HB ALA 12 2HB ALA 12 6.421 -10.881 -0.547 83 3HB ALA 12 3HB ALA 12 5.115 -11.547 -1.556 84 H ARG 13 H ARG 13 4.945 -12.872 1.445 85 HA ARG 13 HA ARG 13 3.061 -14.437 0.202 86 2HB ARG 13 2HB ARG 13 3.439 -15.968 2.263 87 2HG ARG 13 2HG ARG 13 5.426 -14.976 0.293 88 2HD ARG 13 2HD ARG 13 6.333 -15.477 2.979 89 HE ARG 13 HE ARG 13 7.649 -17.498 1.289 90 1HH1 ARG 13 2HH2 ARG 13 5.211 -16.910 3.793 91 2HH1 ARG 13 1HH2 ARG 13 5.217 -18.547 4.358 92 2HH2 ARG 13 1HH ARG 13 6.662 -20.145 3.309 93 H GLU 14 H GLU 14 3.034 -13.010 3.557 94 HA GLU 14 HA GLU 14 0.521 -13.866 4.226 95 2HB GLU 14 2HB GLU 14 1.111 -11.226 5.343 96 2HG GLU 14 2HG GLU 14 0.899 -14.090 6.314 97 HE2 GLU 14 HE GLU 14 0.741 -14.035 8.711 98 H LEU 15 H LEU 15 1.554 -11.283 2.067 99 HA LEU 15 HA LEU 15 -0.947 -9.891 2.156 100 2HB LEU 15 2HB LEU 15 0.200 -8.911 -0.025 101 HG LEU 15 HG LEU 15 -0.082 -7.801 2.309 102 1HD1 LEU 15 1HD1 LEU 15 1.571 -9.177 3.482 103 2HD1 LEU 15 2HD1 LEU 15 2.857 -8.531 2.435 104 3HD1 LEU 15 3HD1 LEU 15 1.989 -7.448 3.550 105 1HD2 LEU 15 1HD2 LEU 15 0.339 -6.196 0.792 106 2HD2 LEU 15 2HD2 LEU 15 1.961 -6.194 1.526 107 3HD2 LEU 15 3HD2 LEU 15 1.662 -7.110 0.030 108 H LYS 16 H LYS 16 0.701 -12.255 -0.018 109 HA LYS 16 HA LYS 16 -1.201 -12.252 -2.029 110 2HB LYS 16 2HB LYS 16 1.179 -13.395 -1.745 111 2HG LYS 16 2HG LYS 16 -0.212 -15.098 -0.124 112 2HD LYS 16 2HD LYS 16 -1.485 -15.701 -2.412 113 2HE LYS 16 2HE LYS 16 1.233 -16.920 -2.662 114 1HZ LYS 16 1HZ LYS 16 -0.250 -18.841 -2.153 115 2HZ LYS 16 2HZ LYS 16 -1.195 -18.453 -3.421 116 H THR 17 H THR 17 -1.214 -13.689 1.216 117 HA THR 17 HA THR 17 -3.457 -15.395 0.657 118 HB THR 17 HB THR 17 -1.878 -14.553 3.131 119 HG1 THR 17 1HG THR 17 -0.816 -16.221 2.097 120 1HG2 THR 17 1HG2 THR 17 -4.480 -16.056 2.898 121 2HG2 THR 17 2HG2 THR 17 -3.227 -16.766 3.944 122 3HG2 THR 17 3HG2 THR 17 -3.835 -15.125 4.271 123 H THR 18 H THR 18 -2.944 -12.053 1.668 124 HA THR 18 HA THR 18 -5.720 -11.825 2.522 125 HB THR 18 HB THR 18 -3.390 -10.719 3.447 126 HG1 THR 18 1HG THR 18 -5.461 -10.547 4.476 127 1HG2 THR 18 1HG2 THR 18 -3.440 -9.320 1.167 128 2HG2 THR 18 2HG2 THR 18 -4.718 -8.407 2.005 129 3HG2 THR 18 3HG2 THR 18 -3.084 -8.500 2.706 130 H ARG 19 H ARG 19 -7.153 -10.176 1.623 131 HA ARG 19 HA ARG 19 -6.553 -8.904 -0.752 132 2HB ARG 19 2HB ARG 19 -6.635 -10.804 -2.101 133 2HG ARG 19 2HG ARG 19 -8.833 -12.018 -0.372 134 2HD ARG 19 2HD ARG 19 -7.256 -12.850 -2.758 135 HE ARG 19 HE ARG 19 -6.552 -14.280 -0.560 136 1HH1 ARG 19 2HH2 ARG 19 -8.792 -15.084 -3.183 137 2HH1 ARG 19 1HH2 ARG 19 -8.524 -16.790 -3.056 138 2HH2 ARG 19 1HH ARG 19 -6.994 -17.619 -1.408 139 H GLN 20 H GLN 20 -9.180 -10.703 0.995 140 HA GLN 20 HA GLN 20 -11.240 -10.168 1.487 141 2HB GLN 20 2HB GLN 20 -10.136 -7.373 1.994 142 2HG GLN 20 2HG GLN 20 -12.696 -8.470 2.402 143 1HE2 GLN 20 1HE2 GLN 20 -13.729 -9.548 3.903 144 2HE2 GLN 20 2HE2 GLN 20 -13.150 -9.957 5.483 145 H ASN 21 H ASN 21 -10.317 -9.660 -1.375 146 HA ASN 21 HA ASN 21 -11.007 -8.740 -3.224 147 2HB ASN 21 2HB ASN 21 -13.662 -8.285 -3.181 148 1HD2 ASN 21 1HD2 ASN 21 -13.352 -9.381 -5.061 149 2HD2 ASN 21 2HD2 ASN 21 -13.207 -11.104 -5.178 150 H VAL 22 H VAL 22 -10.222 -6.898 -0.892 151 HA VAL 22 HA VAL 22 -11.660 -4.499 -1.798 152 HB VAL 22 HB VAL 22 -10.711 -5.402 0.896 153 1HG1 VAL 22 1HG1 VAL 22 -10.913 -3.086 1.742 154 2HG1 VAL 22 2HG1 VAL 22 -9.574 -3.268 0.584 155 3HG1 VAL 22 3HG1 VAL 22 -11.097 -2.505 0.070 156 1HG2 VAL 22 1HG2 VAL 22 -12.901 -5.497 1.298 157 2HG2 VAL 22 2HG2 VAL 22 -13.075 -3.773 0.892 158 3HG2 VAL 22 3HG2 VAL 22 -13.218 -5.006 -0.383 159 H SER 23 H SER 23 -8.655 -6.237 -1.498 160 HA SER 23 HA SER 23 -7.346 -3.995 -2.744 161 2HB SER 23 2HB SER 23 -5.383 -4.132 -1.234 162 HG SER 23 HG SER 23 -6.534 -2.596 -0.262 163 H ALA 24 H ALA 24 -8.356 -6.924 -3.191 164 HA ALA 24 HA ALA 24 -6.001 -8.466 -3.572 165 1HB ALA 24 1HB ALA 24 -8.375 -9.199 -5.150 166 2HB ALA 24 2HB ALA 24 -7.503 -10.123 -3.904 167 3HB ALA 24 3HB ALA 24 -8.732 -8.929 -3.427 168 H ILE 25 H ILE 25 -5.080 -6.294 -4.683 169 HA ILE 25 HA ILE 25 -5.864 -5.922 -7.388 170 HB ILE 25 HB ILE 25 -3.470 -4.994 -5.802 171 2HG1 ILE 25 2HG1 ILE 25 -5.304 -3.952 -4.836 172 1HG2 ILE 25 1HG2 ILE 25 -2.669 -3.829 -7.570 173 2HG2 ILE 25 2HG2 ILE 25 -3.438 -5.152 -8.479 174 3HG2 ILE 25 3HG2 ILE 25 -4.278 -3.594 -8.295 175 1HD1 ILE 25 1HD1 ILE 25 -5.224 -1.908 -6.981 176 2HD1 ILE 25 2HD1 ILE 25 -4.835 -1.756 -5.252 177 3HD1 ILE 25 3HD1 ILE 25 -3.621 -2.397 -6.384 178 H GLU 26 H GLU 26 -3.514 -7.947 -5.647 179 HA GLU 26 HA GLU 26 -2.053 -8.593 -7.972 180 2HB GLU 26 2HB GLU 26 -0.818 -8.887 -6.007 181 2HG GLU 26 2HG GLU 26 -2.086 -10.639 -4.271 182 HE2 GLU 26 HE GLU 26 -2.862 -7.034 -3.064 183 H ARG 27 H ARG 27 -4.793 -10.054 -6.156 184 HA ARG 27 HA ARG 27 -4.792 -12.433 -7.609 185 2HB ARG 27 2HB ARG 27 -7.043 -11.021 -6.089 186 2HG ARG 27 2HG ARG 27 -7.221 -13.270 -7.802 187 2HD ARG 27 2HD ARG 27 -7.961 -14.519 -5.274 188 HE ARG 27 HE ARG 27 -7.200 -15.416 -7.740 189 1HH1 ARG 27 2HH2 ARG 27 -5.791 -15.932 -4.531 190 2HH1 ARG 27 1HH2 ARG 27 -5.148 -17.491 -4.927 191 2HH2 ARG 27 1HH ARG 27 -5.489 -18.377 -7.127 192 H LYS 28 H LYS 28 -6.730 -9.369 -7.851 193 HA LYS 28 HA LYS 28 -8.310 -10.182 -9.997 194 2HB LYS 28 2HB LYS 28 -8.032 -7.412 -10.201 195 2HG LYS 28 2HG LYS 28 -10.086 -9.053 -9.933 196 2HD LYS 28 2HD LYS 28 -10.964 -8.447 -7.456 197 2HE LYS 28 2HE LYS 28 -9.028 -10.760 -7.936 198 1HZ LYS 28 1HZ LYS 28 -11.420 -10.474 -6.196 199 2HZ LYS 28 2HZ LYS 28 -10.569 -11.850 -6.380 200 H ALA 29 H ALA 29 -5.298 -8.146 -9.960 201 HA ALA 29 HA ALA 29 -4.993 -7.763 -12.619 202 1HB ALA 29 1HB ALA 29 -3.011 -8.275 -10.385 203 2HB ALA 29 2HB ALA 29 -2.471 -7.898 -12.040 204 3HB ALA 29 3HB ALA 29 -3.467 -6.729 -11.141 205 H MET 30 H MET 30 -3.735 -10.614 -10.741 206 HA MET 30 HA MET 30 -2.818 -11.932 -13.007 207 2HB MET 30 2HB MET 30 -3.468 -13.906 -11.083 208 2HG MET 30 2HG MET 30 -0.982 -12.603 -10.359 209 1HE MET 30 1HE MET 30 0.399 -13.919 -12.932 210 2HE MET 30 2HE MET 30 1.303 -14.519 -11.520 211 3HE MET 30 3HE MET 30 0.641 -15.668 -12.709 212 H GLU 31 H GLU 31 -6.029 -11.491 -11.707 213 HA GLU 31 HA GLU 31 -7.076 -13.866 -12.874 214 2HB GLU 31 2HB GLU 31 -9.149 -11.954 -12.311 215 2HG GLU 31 2HG GLU 31 -9.647 -13.544 -10.457 216 HE2 GLU 31 HE GLU 31 -7.916 -15.754 -12.276 217 H ASN 32 H ASN 32 -5.664 -12.624 -14.877 218 HA ASN 32 HA ASN 32 -5.756 -11.700 -16.848 219 2HB ASN 32 2HB ASN 32 -8.101 -12.197 -18.069 220 1HD2 ASN 32 1HD2 ASN 32 -8.461 -14.947 -18.098 221 2HD2 ASN 32 2HD2 ASN 32 -7.000 -15.735 -18.595 222 H ILE 33 H ILE 33 -6.550 -9.940 -14.615 223 HA ILE 33 HA ILE 33 -8.854 -8.522 -14.952 224 HB ILE 33 HB ILE 33 -6.591 -8.369 -13.397 225 2HG1 ILE 33 2HG1 ILE 33 -8.636 -7.984 -12.379 226 1HG2 ILE 33 1HG2 ILE 33 -5.845 -6.033 -13.504 227 2HG2 ILE 33 2HG2 ILE 33 -5.458 -6.925 -14.994 228 3HG2 ILE 33 3HG2 ILE 33 -6.828 -5.789 -14.968 229 1HD1 ILE 33 1HD1 ILE 33 -8.523 -5.801 -11.349 230 2HD1 ILE 33 2HD1 ILE 33 -6.846 -6.316 -11.648 231 3HD1 ILE 33 3HD1 ILE 33 -7.620 -5.132 -12.728 232 H GLU 34 H GLU 34 -9.450 -6.601 -16.095 233 HA GLU 34 HA GLU 34 -7.642 -5.844 -18.223 234 2HB GLU 34 2HB GLU 34 -10.242 -5.870 -19.393 235 2HG GLU 34 2HG GLU 34 -7.632 -6.558 -20.083 236 HE2 GLU 34 HE GLU 34 -7.171 -9.971 -20.246 237 H LYS 35 H LYS 35 -10.886 -5.309 -16.681 238 HA LYS 35 HA LYS 35 -10.377 -2.428 -16.966 239 2HB LYS 35 2HB LYS 35 -13.148 -2.991 -16.499 240 2HG LYS 35 2HG LYS 35 -12.105 -0.996 -17.658 241 2HD LYS 35 2HD LYS 35 -11.702 -3.060 -19.874 242 2HE LYS 35 2HE LYS 35 -10.933 -0.159 -20.149 243 1HZ LYS 35 1HZ LYS 35 -11.840 -0.958 -22.481 244 2HZ LYS 35 2HZ LYS 35 -10.330 -1.348 -22.011 245 H SER 36 H SER 36 -10.050 -4.898 -14.843 246 HA SER 36 HA SER 36 -9.894 -5.031 -12.683 247 2HB SER 36 2HB SER 36 -10.418 -2.420 -11.656 248 HG SER 36 HG SER 36 -7.768 -2.953 -12.378 249 H ARG 37 H ARG 37 -12.613 -4.767 -14.258 250 HA ARG 37 HA ARG 37 -14.743 -4.809 -13.864 251 2HB ARG 37 2HB ARG 37 -15.308 -5.814 -11.426 252 2HG ARG 37 2HG ARG 37 -14.366 -8.093 -12.350 253 2HD ARG 37 2HD ARG 37 -16.117 -6.940 -14.458 254 HE ARG 37 HE ARG 37 -15.936 -9.373 -12.894 255 1HH1 ARG 37 2HH2 ARG 37 -18.245 -7.341 -14.654 256 2HH1 ARG 37 1HH2 ARG 37 -19.340 -8.646 -14.972 257 2HH2 ARG 37 1HH ARG 37 -18.811 -10.843 -14.175 258 H ASN 38 H ASN 38 -13.305 -2.295 -13.138 259 HA ASN 38 HA ASN 38 -13.628 -0.385 -12.160 260 2HB ASN 38 2HB ASN 38 -16.169 0.014 -11.394 261 1HD2 ASN 38 1HD2 ASN 38 -17.078 1.427 -12.729 262 2HD2 ASN 38 2HD2 ASN 38 -16.642 1.698 -14.382 263 H THR 39 H THR 39 -12.860 -2.739 -10.475 264 HA THR 39 HA THR 39 -14.275 -2.537 -7.996 265 HB THR 39 HB THR 39 -11.713 -3.901 -8.957 266 HG1 THR 39 1HG THR 39 -13.441 -5.163 -9.570 267 1HG2 THR 39 1HG2 THR 39 -12.507 -3.349 -6.225 268 2HG2 THR 39 2HG2 THR 39 -12.800 -5.073 -6.558 269 3HG2 THR 39 3HG2 THR 39 -11.175 -4.385 -6.791 270 H LEU 40 H LEU 40 -10.717 -2.178 -8.291 271 HA LEU 40 HA LEU 40 -10.420 -0.565 -6.136 272 2HB LEU 40 2HB LEU 40 -8.668 -1.703 -7.529 273 HG LEU 40 HG LEU 40 -9.173 0.643 -9.306 274 1HD1 LEU 40 1HD1 LEU 40 -7.052 1.342 -8.619 275 2HD1 LEU 40 2HD1 LEU 40 -6.434 -0.323 -8.498 276 3HD1 LEU 40 3HD1 LEU 40 -6.740 0.399 -10.096 277 1HD2 LEU 40 1HD2 LEU 40 -9.249 -2.136 -9.566 278 2HD2 LEU 40 2HD2 LEU 40 -9.354 -0.927 -10.867 279 3HD2 LEU 40 3HD2 LEU 40 -7.779 -1.635 -10.437 280 H ASP 41 H ASP 41 -11.627 0.280 -9.362 281 HA ASP 41 HA ASP 41 -11.239 3.011 -9.183 282 2HB ASP 41 2HB ASP 41 -13.611 1.657 -10.533 283 HD2 ASP 41 HD ASP 41 -14.637 3.702 -10.767 284 H PHE 42 H PHE 42 -14.207 0.965 -8.596 285 HA PHE 42 HA PHE 42 -15.890 2.925 -7.721 286 2HB PHE 42 2HB PHE 42 -15.419 -0.024 -7.089 287 HD1 PHE 42 1HD PHE 42 -16.256 -1.060 -5.218 288 HD2 PHE 42 2HD PHE 42 -18.054 2.567 -6.494 289 HE1 PHE 42 1HE PHE 42 -17.819 -1.144 -3.257 290 HE2 PHE 42 2HE PHE 42 -19.617 2.482 -4.533 291 HZ PHE 42 HZ PHE 42 -19.481 0.627 -2.937 292 H VAL 43 H VAL 43 -13.243 1.278 -5.966 293 HA VAL 43 HA VAL 43 -14.052 2.415 -3.448 294 HB VAL 43 HB VAL 43 -12.424 0.287 -4.371 295 1HG1 VAL 43 1HG1 VAL 43 -10.888 2.158 -2.538 296 2HG1 VAL 43 2HG1 VAL 43 -10.365 0.561 -3.130 297 3HG1 VAL 43 3HG1 VAL 43 -10.542 1.918 -4.269 298 1HG2 VAL 43 1HG2 VAL 43 -13.555 1.279 -1.797 299 2HG2 VAL 43 2HG2 VAL 43 -13.741 -0.296 -2.603 300 3HG2 VAL 43 3HG2 VAL 43 -12.252 0.071 -1.701 301 H LYS 44 H LYS 44 -12.129 3.297 -6.236 302 HA LYS 44 HA LYS 44 -10.362 5.055 -4.905 303 2HB LYS 44 2HB LYS 44 -10.487 3.965 -7.391 304 2HG LYS 44 2HG LYS 44 -12.300 5.814 -7.867 305 2HD LYS 44 2HD LYS 44 -9.847 7.507 -8.403 306 2HE LYS 44 2HE LYS 44 -11.983 9.140 -7.730 307 1HZ LYS 44 1HZ LYS 44 -10.598 9.331 -9.724 308 2HZ LYS 44 2HZ LYS 44 -11.328 8.051 -10.417 309 H SER 45 H SER 45 -13.616 5.382 -6.402 310 HA SER 45 HA SER 45 -13.829 8.068 -6.457 311 2HB SER 45 2HB SER 45 -15.973 6.067 -5.611 312 HG SER 45 HG SER 45 -16.122 8.730 -5.741 313 H LEU 46 H LEU 46 -14.253 5.840 -3.648 314 HA LEU 46 HA LEU 46 -15.329 7.403 -1.770 315 2HB LEU 46 2HB LEU 46 -13.086 6.156 -0.553 316 HG LEU 46 HG LEU 46 -15.877 5.036 -0.926 317 1HD1 LEU 46 1HD1 LEU 46 -15.375 3.379 0.512 318 2HD1 LEU 46 2HD1 LEU 46 -13.706 3.693 -0.021 319 3HD1 LEU 46 3HD1 LEU 46 -14.305 4.405 1.497 320 1HD2 LEU 46 1HD2 LEU 46 -14.766 6.896 1.187 321 2HD2 LEU 46 2HD2 LEU 46 -16.113 7.195 0.062 322 3HD2 LEU 46 3HD2 LEU 46 -16.287 5.988 1.359 323 H LYS 47 H LYS 47 -11.794 7.404 -2.613 324 HA LYS 47 HA LYS 47 -10.223 8.927 -2.319 325 2HB LYS 47 2HB LYS 47 -11.230 11.416 -2.336 326 2HG LYS 47 2HG LYS 47 -10.665 9.365 -4.432 327 2HD LYS 47 2HD LYS 47 -12.635 11.548 -4.833 328 2HE LYS 47 2HE LYS 47 -11.117 11.302 -7.292 329 1HZ LYS 47 1HZ LYS 47 -12.376 13.203 -7.141 330 2HZ LYS 47 2HZ LYS 47 -12.121 13.426 -5.548 331 H SER 48 H SER 48 -10.699 7.634 -0.037 332 HA SER 48 HA SER 48 -11.370 9.523 2.008 333 2HB SER 48 2HB SER 48 -12.005 7.052 2.045 334 HG SER 48 HG SER 48 -9.264 6.724 2.917 335 HA PRO 49 HA PRO 49 -7.234 10.634 2.804 336 2HB PRO 49 2HB PRO 49 -7.883 12.557 3.891 337 2HG PRO 49 2HG PRO 49 -10.044 12.527 4.696 338 2HD PRO 49 2HD PRO 49 -10.978 10.960 3.297 339 H VAL 50 H VAL 50 -5.253 10.054 3.769 340 HA VAL 50 HA VAL 50 -5.441 8.096 5.879 341 HB VAL 50 HB VAL 50 -4.278 7.387 3.177 342 1HG1 VAL 50 1HG1 VAL 50 -4.283 5.055 4.440 343 2HG1 VAL 50 2HG1 VAL 50 -2.928 6.197 4.607 344 3HG1 VAL 50 3HG1 VAL 50 -4.170 6.096 5.879 345 1HG2 VAL 50 1HG2 VAL 50 -6.671 7.293 3.026 346 2HG2 VAL 50 2HG2 VAL 50 -6.071 5.625 3.185 347 3HG2 VAL 50 3HG2 VAL 50 -6.795 6.448 4.588 348 H ARG 51 H ARG 51 -3.283 7.624 6.806 349 HA ARG 51 HA ARG 51 -1.152 9.256 5.831 350 2HB ARG 51 2HB ARG 51 -1.818 10.997 7.214 351 2HG ARG 51 2HG ARG 51 -3.012 10.515 9.457 352 2HD ARG 51 2HD ARG 51 -4.811 9.336 7.424 353 HE ARG 51 HE ARG 51 -5.927 10.601 9.100 354 1HH1 ARG 51 2HH2 ARG 51 -3.591 12.612 7.353 355 2HH1 ARG 51 1HH2 ARG 51 -4.219 14.101 7.977 356 2HH2 ARG 51 1HH ARG 51 -6.080 14.050 9.487 357 H ILE 52 H ILE 52 0.906 8.453 6.529 358 HA ILE 52 HA ILE 52 1.048 6.589 8.693 359 HB ILE 52 HB ILE 52 2.146 5.034 6.676 360 2HG1 ILE 52 2HG1 ILE 52 0.856 6.496 5.062 361 1HG2 ILE 52 1HG2 ILE 52 0.404 3.447 7.272 362 2HG2 ILE 52 2HG2 ILE 52 1.021 4.271 8.723 363 3HG2 ILE 52 3HG2 ILE 52 -0.548 4.745 8.031 364 1HD1 ILE 52 1HD1 ILE 52 0.152 3.532 5.263 365 2HD1 ILE 52 2HD1 ILE 52 -0.096 4.538 3.815 366 3HD1 ILE 52 3HD1 ILE 52 1.551 4.231 4.414 367 H LEU 53 H LEU 53 3.247 6.174 9.316 368 HA LEU 53 HA LEU 53 5.066 8.134 8.134 369 2HB LEU 53 2HB LEU 53 4.734 6.900 10.825 370 HG LEU 53 HG LEU 53 7.362 7.748 9.664 371 1HD1 LEU 53 1HD1 LEU 53 6.199 8.937 12.036 372 2HD1 LEU 53 2HD1 LEU 53 7.672 8.017 12.430 373 3HD1 LEU 53 3HD1 LEU 53 7.729 9.306 11.203 374 1HD2 LEU 53 1HD2 LEU 53 7.458 5.507 10.063 375 2HD2 LEU 53 2HD2 LEU 53 7.994 6.105 11.652 376 3HD2 LEU 53 3HD2 LEU 53 6.309 5.579 11.420 377 H CYS 54 H CYS 54 7.203 7.546 7.490 378 HA CYS 54 HA CYS 54 7.425 4.676 6.945 379 2HB CYS 54 2HB CYS 54 8.654 6.984 5.399 380 HG CYS 54 HG CYS 54 9.461 4.066 5.808 381 H ARG 55 H ARG 55 9.191 3.611 7.834 382 HA ARG 55 HA ARG 55 11.184 5.344 9.062 383 2HB ARG 55 2HB ARG 55 11.453 3.082 10.535 384 2HG ARG 55 2HG ARG 55 9.175 4.297 11.708 385 2HD ARG 55 2HD ARG 55 11.060 5.663 12.918 386 HE ARG 55 HE ARG 55 11.720 2.847 13.260 387 1HH1 ARG 55 2HH2 ARG 55 9.172 5.251 13.785 388 2HH1 ARG 55 1HH2 ARG 55 8.433 4.369 15.080 389 2HH2 ARG 55 1HH ARG 55 9.378 2.273 15.760 390 H ARG 56 H ARG 56 13.142 3.480 9.733 391 HA ARG 56 HA ARG 56 14.484 3.144 7.414 392 2HB ARG 56 2HB ARG 56 15.479 1.078 9.013 393 2HG ARG 56 2HG ARG 56 16.254 3.784 9.937 394 2HD ARG 56 2HD ARG 56 18.173 2.349 8.267 395 HE ARG 56 HE ARG 56 18.235 3.787 10.647 396 1HH1 ARG 56 2HH2 ARG 56 19.451 0.613 9.644 397 2HH1 ARG 56 1HH2 ARG 56 20.779 0.633 10.757 398 2HH2 ARG 56 1HH ARG 56 21.074 2.524 12.198 399 H GLY 57 H GLY 57 14.466 1.639 5.741 400 1HA GLY 57 1HA GLY 57 12.375 -0.079 5.304 401 2HA GLY 57 2HA GLY 57 13.954 -0.202 4.553 402 H ASP 58 H ASP 58 15.400 -0.617 7.149 403 HA ASP 58 HA ASP 58 15.333 -3.367 7.161 404 2HB ASP 58 2HB ASP 58 16.185 -2.036 9.692 405 HD2 ASP 58 HD ASP 58 18.149 -3.252 10.428 406 H THR 59 H THR 59 13.233 -1.004 8.599 407 HA THR 59 HA THR 59 12.141 -3.034 10.436 408 HB THR 59 HB THR 59 13.168 -0.455 10.990 409 HG1 THR 59 1HG THR 59 12.933 -1.733 12.785 410 1HG2 THR 59 1HG2 THR 59 10.172 -0.467 11.525 411 2HG2 THR 59 2HG2 THR 59 11.318 0.888 11.666 412 3HG2 THR 59 3HG2 THR 59 10.819 0.308 10.059 413 H LEU 60 H LEU 60 11.719 -2.002 7.420 414 HA LEU 60 HA LEU 60 9.176 -0.950 7.269 415 2HB LEU 60 2HB LEU 60 10.071 -2.944 5.246 416 HG LEU 60 HG LEU 60 8.134 -1.399 4.820 417 1HD1 LEU 60 1HD1 LEU 60 10.044 0.566 5.712 418 2HD1 LEU 60 2HD1 LEU 60 9.484 0.952 4.067 419 3HD1 LEU 60 3HD1 LEU 60 8.303 0.740 5.382 420 1HD2 LEU 60 1HD2 LEU 60 9.131 -2.379 2.926 421 2HD2 LEU 60 2HD2 LEU 60 9.022 -0.642 2.556 422 3HD2 LEU 60 3HD2 LEU 60 10.578 -1.350 3.048 423 H ASP 61 H ASP 61 10.272 -4.362 7.619 424 HA ASP 61 HA ASP 61 7.899 -5.600 7.187 425 2HB ASP 61 2HB ASP 61 10.091 -6.727 7.612 426 HD2 ASP 61 HD ASP 61 11.519 -5.381 8.780 427 H GLU 62 H GLU 62 9.278 -4.246 10.269 428 HA GLU 62 HA GLU 62 6.981 -4.919 11.763 429 2HB GLU 62 2HB GLU 62 9.522 -3.383 12.244 430 2HG GLU 62 2HG GLU 62 6.927 -2.992 13.704 431 HE2 GLU 62 HE GLU 62 7.710 -1.704 15.759 432 H ILE 63 H ILE 63 8.220 -1.965 10.121 433 HA ILE 63 HA ILE 63 6.356 -0.177 11.148 434 HB ILE 63 HB ILE 63 8.514 -0.105 9.441 435 2HG1 ILE 63 2HG1 ILE 63 7.967 2.395 9.380 436 1HG2 ILE 63 1HG2 ILE 63 6.718 -0.616 7.626 437 2HG2 ILE 63 2HG2 ILE 63 6.275 1.095 7.837 438 3HG2 ILE 63 3HG2 ILE 63 7.927 0.659 7.339 439 1HD1 ILE 63 1HD1 ILE 63 5.391 1.614 9.863 440 2HD1 ILE 63 2HD1 ILE 63 5.961 1.879 11.529 441 3HD1 ILE 63 3HD1 ILE 63 6.040 3.201 10.340 442 H ILE 64 H ILE 64 6.101 -2.729 8.717 443 HA ILE 64 HA ILE 64 3.840 -1.767 7.383 444 HB ILE 64 HB ILE 64 5.075 -4.474 7.779 445 2HG1 ILE 64 2HG1 ILE 64 5.846 -2.448 6.198 446 1HG2 ILE 64 1HG2 ILE 64 2.787 -5.048 7.637 447 2HG2 ILE 64 2HG2 ILE 64 2.474 -3.827 6.379 448 3HG2 ILE 64 3HG2 ILE 64 3.451 -5.267 6.001 449 1HD1 ILE 64 1HD1 ILE 64 6.150 -5.342 6.240 450 2HD1 ILE 64 2HD1 ILE 64 6.189 -4.745 4.564 451 3HD1 ILE 64 3HD1 ILE 64 7.332 -4.099 5.764 452 H LYS 65 H LYS 65 4.187 -4.032 10.197 453 HA LYS 65 HA LYS 65 1.446 -4.392 10.560 454 2HB LYS 65 2HB LYS 65 3.262 -5.827 11.481 455 2HG LYS 65 2HG LYS 65 3.861 -3.299 12.919 456 2HD LYS 65 2HD LYS 65 2.726 -4.893 14.660 457 2HE LYS 65 2HE LYS 65 4.764 -6.631 13.587 458 1HZ LYS 65 1HZ LYS 65 5.248 -6.911 16.325 459 2HZ LYS 65 2HZ LYS 65 6.338 -6.565 15.166 460 H ARG 66 H ARG 66 3.701 -1.820 11.560 461 HA ARG 66 HA ARG 66 1.909 -0.704 13.414 462 2HB ARG 66 2HB ARG 66 3.515 1.372 12.994 463 2HG ARG 66 2HG ARG 66 5.446 -0.065 14.125 464 2HD ARG 66 2HD ARG 66 2.826 0.905 15.117 465 HE ARG 66 HE ARG 66 3.414 -1.580 16.112 466 1HH1 ARG 66 2HH2 ARG 66 3.636 1.650 17.551 467 2HH1 ARG 66 1HH2 ARG 66 3.361 1.086 19.165 468 2HH2 ARG 66 1HH ARG 66 3.019 -1.255 19.548 469 H LEU 67 H LEU 67 2.579 -0.323 9.921 470 HA LEU 67 HA LEU 67 1.254 2.101 9.531 471 2HB LEU 67 2HB LEU 67 1.054 1.212 7.154 472 HG LEU 67 HG LEU 67 3.631 1.568 8.618 473 1HD1 LEU 67 1HD1 LEU 67 3.350 -0.026 6.151 474 2HD1 LEU 67 2HD1 LEU 67 4.558 1.279 6.076 475 3HD1 LEU 67 3HD1 LEU 67 4.669 0.035 7.345 476 1HD2 LEU 67 1HD2 LEU 67 3.870 3.231 6.634 477 2HD2 LEU 67 2HD2 LEU 67 2.127 2.942 6.408 478 3HD2 LEU 67 3HD2 LEU 67 2.729 3.593 7.952 479 H LEU 68 H LEU 68 0.100 -1.327 9.347 480 HA LEU 68 HA LEU 68 -2.432 -0.921 8.485 481 2HB LEU 68 2HB LEU 68 -2.807 -3.044 9.107 482 HG LEU 68 HG LEU 68 0.116 -2.964 9.907 483 1HD1 LEU 68 1HD1 LEU 68 -1.847 -5.181 9.501 484 2HD1 LEU 68 2HD1 LEU 68 -0.161 -5.428 8.986 485 3HD1 LEU 68 3HD1 LEU 68 -0.522 -5.018 10.679 486 1HD2 LEU 68 1HD2 LEU 68 -1.092 -3.599 7.202 487 2HD2 LEU 68 2HD2 LEU 68 -0.300 -2.066 7.638 488 3HD2 LEU 68 3HD2 LEU 68 0.635 -3.580 7.631 489 H GLU 69 H GLU 69 -1.250 -0.665 11.904 490 HA GLU 69 HA GLU 69 -3.685 -0.044 13.001 491 2HB GLU 69 2HB GLU 69 -2.360 0.918 14.880 492 2HG GLU 69 2HG GLU 69 -0.526 -1.150 14.715 493 HE2 GLU 69 HE GLU 69 -2.474 -2.575 17.152 494 H GLU 70 H GLU 70 -1.564 1.852 10.956 495 HA GLU 70 HA GLU 70 -2.781 4.322 11.795 496 2HB GLU 70 2HB GLU 70 -1.239 5.299 10.015 497 2HG GLU 70 2HG GLU 70 0.861 4.057 11.377 498 HE2 GLU 70 HE GLU 70 1.534 6.828 11.363 499 H SER 71 H SER 71 -2.693 2.082 8.974 500 HA SER 71 HA SER 71 -4.593 3.763 7.608 501 2HB SER 71 2HB SER 71 -4.322 2.056 5.763 502 HG SER 71 HG SER 71 -1.953 3.254 6.909 503 H ASN 72 H ASN 72 -4.306 0.225 8.445 504 HA ASN 72 HA ASN 72 -6.723 -0.637 7.893 505 2HB ASN 72 2HB ASN 72 -5.754 -1.310 10.675 506 1HD2 ASN 72 1HD2 ASN 72 -7.358 -2.653 11.116 507 2HD2 ASN 72 2HD2 ASN 72 -7.861 -4.005 10.157 508 H LYS 73 H LYS 73 -5.779 1.473 10.644 509 HA LYS 73 HA LYS 73 -8.076 1.305 12.169 510 2HB LYS 73 2HB LYS 73 -7.172 3.942 12.397 511 2HG LYS 73 2HG LYS 73 -7.587 2.538 14.322 512 2HD LYS 73 2HD LYS 73 -5.273 0.790 14.254 513 2HE LYS 73 2HE LYS 73 -8.274 0.543 14.479 514 1HZ LYS 73 1HZ LYS 73 -6.678 -1.437 13.298 515 2HZ LYS 73 2HZ LYS 73 -7.066 -1.971 14.786 516 H GLU 74 H GLU 74 -7.274 3.568 9.449 517 HA GLU 74 HA GLU 74 -10.055 4.375 9.472 518 2HB GLU 74 2HB GLU 74 -8.284 6.132 9.428 519 2HG GLU 74 2HG GLU 74 -7.699 5.559 6.548 520 HE2 GLU 74 HE GLU 74 -6.698 8.172 8.776 521 H GLY 75 H GLY 75 -8.457 1.812 8.296 522 1HA GLY 75 1HA GLY 75 -9.934 1.840 5.732 523 2HA GLY 75 2HA GLY 75 -8.318 1.181 5.888 524 H ILE 76 H ILE 76 -9.574 -0.783 4.991 525 HA ILE 76 HA ILE 76 -11.107 -2.144 7.057 526 HB ILE 76 HB ILE 76 -10.762 -2.420 4.107 527 2HG1 ILE 76 2HG1 ILE 76 -13.094 -2.227 4.040 528 1HG2 ILE 76 1HG2 ILE 76 -10.260 -4.664 4.994 529 2HG2 ILE 76 2HG2 ILE 76 -11.807 -4.648 5.876 530 3HG2 ILE 76 3HG2 ILE 76 -11.797 -4.614 4.096 531 1HD1 ILE 76 1HD1 ILE 76 -13.060 -2.856 7.026 532 2HD1 ILE 76 2HD1 ILE 76 -14.502 -2.332 6.125 533 3HD1 ILE 76 3HD1 ILE 76 -13.721 -3.883 5.731 534 H HIS 77 H HIS 77 -10.610 -4.525 7.421 535 HA HIS 77 HA HIS 77 -8.058 -4.776 8.411 536 2HB HIS 77 2HB HIS 77 -9.128 -7.365 7.779 537 HD1 HIS 77 1HD HIS 77 -7.021 -7.467 9.545 538 HD2 HIS 77 2HD HIS 77 -10.664 -5.978 10.996 539 HE1 HIS 77 1HE HIS 77 -6.879 -7.587 12.090 540 H VAL 78 H VAL 78 -6.310 -4.399 7.082 541 HA VAL 78 HA VAL 78 -6.000 -6.307 4.885 542 HB VAL 78 HB VAL 78 -5.573 -3.318 4.779 543 1HG1 VAL 78 1HG1 VAL 78 -3.875 -5.122 3.636 544 2HG1 VAL 78 2HG1 VAL 78 -5.077 -4.915 2.340 545 3HG1 VAL 78 3HG1 VAL 78 -4.211 -3.499 2.986 546 1HG2 VAL 78 1HG2 VAL 78 -7.333 -3.200 3.300 547 2HG2 VAL 78 2HG2 VAL 78 -7.148 -4.890 2.769 548 3HG2 VAL 78 3HG2 VAL 78 -7.884 -4.528 4.349 549 H ILE 79 H ILE 79 -3.979 -7.240 4.791 550 HA ILE 79 HA ILE 79 -2.076 -6.249 6.793 551 HB ILE 79 HB ILE 79 -1.161 -8.564 6.702 552 2HG1 ILE 79 2HG1 ILE 79 -2.206 -9.036 4.415 553 1HG2 ILE 79 1HG2 ILE 79 -3.937 -7.944 7.668 554 2HG2 ILE 79 2HG2 ILE 79 -3.244 -9.569 7.889 555 3HG2 ILE 79 3HG2 ILE 79 -2.429 -8.151 8.591 556 1HD1 ILE 79 1HD1 ILE 79 -2.792 -11.474 5.182 557 2HD1 ILE 79 2HD1 ILE 79 -1.131 -10.882 5.427 558 3HD1 ILE 79 3HD1 ILE 79 -2.275 -10.918 6.791 559 H HIS 80 H HIS 80 -2.114 -4.736 4.536 560 HA HIS 80 HA HIS 80 -0.220 -5.863 2.672 561 2HB HIS 80 2HB HIS 80 -0.531 -3.555 1.590 562 HD1 HIS 80 1HD HIS 80 -1.433 -6.749 1.383 563 HD2 HIS 80 2HD HIS 80 -3.746 -3.313 0.715 564 HE1 HIS 80 1HE HIS 80 -3.356 -7.464 -0.135 565 H ASP 81 H ASP 81 1.679 -4.346 1.993 566 HA ASP 81 HA ASP 81 2.800 -3.241 4.449 567 2HB ASP 81 2HB ASP 81 4.185 -5.088 4.071 568 HD2 ASP 81 HD ASP 81 3.942 -7.019 1.263 569 H SER 82 H SER 82 4.650 -1.577 3.872 570 HA SER 82 HA SER 82 3.592 0.433 2.363 571 2HB SER 82 2HB SER 82 6.538 -0.056 2.987 572 HG SER 82 HG SER 82 5.609 2.547 3.117 573 H ILE 83 H ILE 83 5.535 -2.372 1.420 574 HA ILE 83 HA ILE 83 6.414 -1.333 -1.062 575 HB ILE 83 HB ILE 83 6.097 -4.206 -0.195 576 2HG1 ILE 83 2HG1 ILE 83 7.370 -3.015 1.488 577 1HG2 ILE 83 1HG2 ILE 83 6.650 -4.527 -2.351 578 2HG2 ILE 83 2HG2 ILE 83 7.271 -2.870 -2.553 579 3HG2 ILE 83 3HG2 ILE 83 8.288 -4.116 -1.791 580 1HD1 ILE 83 1HD1 ILE 83 8.235 -5.252 0.163 581 2HD1 ILE 83 2HD1 ILE 83 9.629 -4.170 -0.077 582 3HD1 ILE 83 3HD1 ILE 83 9.072 -4.552 1.570 583 H THR 84 H THR 84 3.606 -3.330 0.012 584 HA THR 84 HA THR 84 2.587 -3.530 -2.665 585 HB THR 84 HB THR 84 1.943 -4.495 0.095 586 HG1 THR 84 1HG THR 84 1.355 -5.634 -2.514 587 1HG2 THR 84 1HG2 THR 84 -0.266 -3.596 -0.358 588 2HG2 THR 84 2HG2 THR 84 -0.160 -4.041 -2.078 589 3HG2 THR 84 3HG2 THR 84 -0.324 -5.309 -0.840 590 H LEU 85 H LEU 85 2.171 -1.360 0.124 591 HA LEU 85 HA LEU 85 -0.222 -0.191 -0.699 592 2HB LEU 85 2HB LEU 85 0.947 1.808 0.631 593 HG LEU 85 HG LEU 85 -0.947 0.755 1.616 594 1HD1 LEU 85 1HD1 LEU 85 -1.144 -1.446 2.292 595 2HD1 LEU 85 2HD1 LEU 85 -0.113 -1.590 0.849 596 3HD1 LEU 85 3HD1 LEU 85 0.613 -1.664 2.472 597 1HD2 LEU 85 1HD2 LEU 85 0.587 1.930 3.155 598 2HD2 LEU 85 2HD2 LEU 85 -0.328 0.628 3.952 599 3HD2 LEU 85 3HD2 LEU 85 1.381 0.379 3.520 600 H ALA 86 H ALA 86 3.210 0.450 -1.559 601 HA ALA 86 HA ALA 86 2.716 2.807 -2.991 602 1HB ALA 86 1HB ALA 86 4.930 1.366 -4.101 603 2HB ALA 86 2HB ALA 86 4.959 2.739 -2.967 604 3HB ALA 86 3HB ALA 86 4.906 1.071 -2.346 605 H PHE 87 H PHE 87 2.773 -0.681 -3.923 606 HA PHE 87 HA PHE 87 2.353 -0.146 -6.669 607 2HB PHE 87 2HB PHE 87 1.428 -2.696 -5.328 608 HD1 PHE 87 1HD PHE 87 4.716 -2.467 -6.841 609 HD2 PHE 87 2HD PHE 87 0.601 -3.157 -7.616 610 HE1 PHE 87 1HE PHE 87 5.303 -3.472 -9.064 611 HE2 PHE 87 2HE PHE 87 1.188 -4.162 -9.840 612 HZ PHE 87 HZ PHE 87 3.532 -4.308 -10.537 613 H LEU 88 H LEU 88 0.189 -1.273 -3.976 614 HA LEU 88 HA LEU 88 -2.114 -1.447 -5.520 615 2HB LEU 88 2HB LEU 88 -3.125 -0.924 -3.111 616 HG LEU 88 HG LEU 88 -3.396 -3.120 -3.967 617 1HD1 LEU 88 1HD1 LEU 88 -1.297 -4.712 -3.738 618 2HD1 LEU 88 2HD1 LEU 88 -1.567 -3.727 -5.195 619 3HD1 LEU 88 3HD1 LEU 88 -0.409 -3.185 -3.957 620 1HD2 LEU 88 1HD2 LEU 88 -2.651 -4.556 -1.991 621 2HD2 LEU 88 2HD2 LEU 88 -1.935 -3.068 -1.327 622 3HD2 LEU 88 3HD2 LEU 88 -3.686 -3.152 -1.636 623 H ILE 89 H ILE 89 -0.785 1.290 -3.555 624 HA ILE 89 HA ILE 89 -2.892 3.039 -4.117 625 HB ILE 89 HB ILE 89 -0.021 3.491 -3.315 626 2HG1 ILE 89 2HG1 ILE 89 -1.659 2.233 -1.793 627 1HG2 ILE 89 1HG2 ILE 89 -2.257 5.452 -3.769 628 2HG2 ILE 89 2HG2 ILE 89 -0.992 5.766 -2.555 629 3HG2 ILE 89 3HG2 ILE 89 -0.550 5.543 -4.266 630 1HD1 ILE 89 1HD1 ILE 89 -0.879 3.465 0.207 631 2HD1 ILE 89 2HD1 ILE 89 0.437 3.306 -0.979 632 3HD1 ILE 89 3HD1 ILE 89 -0.429 4.852 -0.814 633 H ARG 90 H ARG 90 0.325 2.538 -5.706 634 HA ARG 90 HA ARG 90 0.379 4.482 -7.465 635 2HB ARG 90 2HB ARG 90 0.956 2.177 -9.048 636 2HG ARG 90 2HG ARG 90 3.032 3.284 -7.176 637 2HD ARG 90 2HD ARG 90 3.498 3.604 -10.031 638 HE ARG 90 HE ARG 90 4.930 2.713 -7.763 639 1HH1 ARG 90 2HH2 ARG 90 4.631 1.800 -11.174 640 2HH1 ARG 90 1HH2 ARG 90 6.237 1.160 -11.272 641 2HH2 ARG 90 1HH ARG 90 7.642 1.210 -9.330 642 H GLU 91 H GLU 91 -1.831 1.666 -7.536 643 HA GLU 91 HA GLU 91 -2.767 2.213 -10.145 644 2HB GLU 91 2HB GLU 91 -4.729 0.678 -8.859 645 2HG GLU 91 2HG GLU 91 -2.446 -0.914 -9.805 646 HE2 GLU 91 HE GLU 91 -3.721 -0.924 -12.398 647 H LYS 92 H LYS 92 -3.896 2.900 -6.787 648 HA LYS 92 HA LYS 92 -6.226 4.275 -7.804 649 2HB LYS 92 2HB LYS 92 -6.518 4.725 -5.279 650 2HG LYS 92 2HG LYS 92 -7.517 2.806 -6.804 651 2HD LYS 92 2HD LYS 92 -5.110 1.571 -6.032 652 2HE LYS 92 2HE LYS 92 -6.909 1.210 -3.885 653 1HZ LYS 92 1HZ LYS 92 -6.802 -1.211 -5.606 654 2HZ LYS 92 2HZ LYS 92 -7.335 -1.199 -4.067 655 H ALA 93 H ALA 93 -3.007 4.985 -7.772 656 HA ALA 93 HA ALA 93 -3.394 7.701 -8.219 657 1HB ALA 93 1HB ALA 93 -2.180 8.555 -6.152 658 2HB ALA 93 2HB ALA 93 -3.846 7.991 -5.881 659 3HB ALA 93 3HB ALA 93 -2.471 6.958 -5.421 660 H SER 94 H SER 94 -2.145 6.805 -10.023 661 HA SER 94 HA SER 94 0.451 5.806 -9.449 662 2HB SER 94 2HB SER 94 -0.602 6.727 -12.151 663 HG SER 94 HG SER 94 1.597 5.276 -11.243 664 H HIS 95 H HIS 95 -0.780 8.820 -9.093 665 HA HIS 95 HA HIS 95 1.300 10.264 -10.478 666 2HB HIS 95 2HB HIS 95 0.157 12.259 -9.542 667 HD1 HIS 95 1HD HIS 95 -3.013 10.448 -9.925 668 HD2 HIS 95 2HD HIS 95 -0.079 12.022 -12.476 669 HE1 HIS 95 1HE HIS 95 -4.081 10.594 -12.238 670 H ARG 96 H ARG 96 0.094 10.646 -7.086 671 HA ARG 96 HA ARG 96 2.890 10.787 -6.318 672 2HB ARG 96 2HB ARG 96 2.227 12.209 -4.505 673 2HG ARG 96 2HG ARG 96 0.022 13.274 -6.094 674 2HD ARG 96 2HD ARG 96 1.828 14.468 -4.641 675 HE ARG 96 HE ARG 96 3.955 13.956 -5.516 676 1HH1 ARG 96 2HH2 ARG 96 1.816 15.007 -8.138 677 2HH1 ARG 96 1HH2 ARG 96 3.094 15.126 -9.301 678 2HH2 ARG 96 1HH ARG 96 5.335 14.595 -8.638 679 H ILE 97 H ILE 97 3.644 8.876 -5.455 680 HA ILE 97 HA ILE 97 1.759 7.348 -3.797 681 HB ILE 97 HB ILE 97 4.112 6.129 -5.196 682 2HG1 ILE 97 2HG1 ILE 97 1.783 7.292 -6.491 683 1HG2 ILE 97 1HG2 ILE 97 2.027 4.336 -5.167 684 2HG2 ILE 97 2HG2 ILE 97 3.352 4.415 -3.982 685 3HG2 ILE 97 3HG2 ILE 97 1.802 5.221 -3.640 686 1HD1 ILE 97 1HD1 ILE 97 3.146 6.559 -8.522 687 2HD1 ILE 97 2HD1 ILE 97 4.006 7.623 -7.383 688 3HD1 ILE 97 3HD1 ILE 97 4.330 5.873 -7.383 689 H VAL 98 H VAL 98 3.101 5.843 -2.209 690 HA VAL 98 HA VAL 98 4.891 7.677 -0.818 691 HB VAL 98 HB VAL 98 3.073 6.892 0.484 692 1HG1 VAL 98 1HG1 VAL 98 3.069 4.243 0.882 693 2HG1 VAL 98 2HG1 VAL 98 2.124 5.019 -0.412 694 3HG1 VAL 98 3HG1 VAL 98 3.693 4.264 -0.785 695 1HG2 VAL 98 1HG2 VAL 98 4.503 6.781 2.191 696 2HG2 VAL 98 2HG2 VAL 98 4.677 5.037 1.882 697 3HG2 VAL 98 3HG2 VAL 98 5.800 6.191 1.124 698 H HIS 99 H HIS 99 7.037 7.175 -0.323 699 HA HIS 99 HA HIS 99 8.053 4.854 -1.786 700 2HB HIS 99 2HB HIS 99 10.095 6.713 -0.931 701 HD1 HIS 99 1HD HIS 99 8.065 5.516 -3.954 702 HD2 HIS 99 2HD HIS 99 12.008 6.463 -2.878 703 HE1 HIS 99 1HE HIS 99 9.520 4.910 -5.961 704 H ARG 100 H ARG 100 10.535 4.535 -0.569 705 HA ARG 100 HA ARG 100 9.991 4.311 2.248 706 2HB ARG 100 2HB ARG 100 9.203 2.145 1.528 707 2HG ARG 100 2HG ARG 100 11.706 1.291 0.171 708 2HD ARG 100 2HD ARG 100 8.946 1.155 -1.033 709 HE ARG 100 HE ARG 100 10.521 -1.256 -0.876 710 1HH1 ARG 100 2HH2 ARG 100 10.415 1.871 -2.538 711 2HH1 ARG 100 1HH2 ARG 100 11.275 1.301 -3.930 712 2HH2 ARG 100 1HH ARG 100 11.993 -0.985 -4.010 713 H VAL 101 H VAL 101 11.806 5.101 3.269 714 HA VAL 101 HA VAL 101 14.356 4.802 1.841 715 HB VAL 101 HB VAL 101 13.648 7.097 1.984 716 1HG1 VAL 101 1HG1 VAL 101 12.091 7.174 3.751 717 2HG1 VAL 101 2HG1 VAL 101 13.248 6.491 4.919 718 3HG1 VAL 101 3HG1 VAL 101 13.466 8.153 4.320 719 1HG2 VAL 101 1HG2 VAL 101 15.669 7.942 2.615 720 2HG2 VAL 101 2HG2 VAL 101 15.682 7.064 4.163 721 3HG2 VAL 101 3HG2 VAL 101 16.093 6.213 2.655 722 H VAL 102 H VAL 102 16.239 4.249 3.093 723 HA VAL 102 HA VAL 102 15.593 3.185 5.752 724 HB VAL 102 HB VAL 102 17.550 1.830 3.933 725 1HG1 VAL 102 1HG1 VAL 102 16.120 -0.046 5.410 726 2HG1 VAL 102 2HG1 VAL 102 17.735 0.598 5.793 727 3HG1 VAL 102 3HG1 VAL 102 16.287 1.336 6.519 728 1HG2 VAL 102 1HG2 VAL 102 15.749 1.764 2.457 729 2HG2 VAL 102 2HG2 VAL 102 15.546 0.259 3.384 730 3HG2 VAL 102 3HG2 VAL 102 14.546 1.681 3.766 731 H LYS 103 H LYS 103 16.406 5.549 6.097 732 HA LYS 103 HA LYS 103 19.078 5.333 7.016 733 2HB LYS 103 2HB LYS 103 19.131 7.627 5.248 734 2HG LYS 103 2HG LYS 103 21.110 5.950 4.405 735 2HD LYS 103 2HD LYS 103 21.055 8.234 5.841 736 2HE LYS 103 2HE LYS 103 22.455 6.493 7.843 737 1HZ LYS 103 1HZ LYS 103 21.699 8.267 9.280 738 2HZ LYS 103 2HZ LYS 103 22.348 8.961 7.956 739 H SER 104 H SER 104 16.290 7.426 6.107 740 HA SER 104 HA SER 104 16.621 8.669 8.719 741 2HB SER 104 2HB SER 104 15.701 10.133 6.209 742 HG SER 104 HG SER 104 16.046 12.004 7.528 743 H ASP 105 H ASP 105 14.382 10.026 9.138 744 HA ASP 105 HA ASP 105 12.327 8.034 8.685 745 2HB ASP 105 2HB ASP 105 12.451 10.404 10.610 746 HD2 ASP 105 HD ASP 105 9.823 8.518 12.301 747 H PHE 106 H PHE 106 10.391 8.599 7.566 748 HA PHE 106 HA PHE 106 9.925 11.393 6.960 749 2HB PHE 106 2HB PHE 106 9.599 9.704 4.575 750 HD1 PHE 106 1HD PHE 106 9.015 12.516 5.089 751 HD2 PHE 106 2HD PHE 106 12.620 10.703 3.777 752 HE1 PHE 106 1HE PHE 106 9.687 14.661 3.971 753 HE2 PHE 106 2HE PHE 106 13.291 12.847 2.658 754 HZ PHE 106 HZ PHE 106 11.817 14.801 2.769 755 H GLU 107 H GLU 107 7.744 11.858 6.816 756 HA GLU 107 HA GLU 107 6.011 9.533 7.037 757 2HB GLU 107 2HB GLU 107 4.354 11.160 8.005 758 2HG GLU 107 2HG GLU 107 7.071 11.333 9.383 759 HE2 GLU 107 HE GLU 107 4.367 11.154 12.117 760 H ILE 108 H ILE 108 4.105 9.356 5.723 761 HA ILE 108 HA ILE 108 3.825 11.360 3.623 762 HB ILE 108 HB ILE 108 3.700 8.516 2.780 763 2HG1 ILE 108 2HG1 ILE 108 6.252 9.943 3.505 764 1HG2 ILE 108 1HG2 ILE 108 4.159 9.361 0.668 765 2HG2 ILE 108 2HG2 ILE 108 3.173 10.647 1.405 766 3HG2 ILE 108 3HG2 ILE 108 4.942 10.825 1.307 767 1HD1 ILE 108 1HD1 ILE 108 4.854 7.882 4.695 768 2HD1 ILE 108 2HD1 ILE 108 5.963 6.990 3.625 769 3HD1 ILE 108 3HD1 ILE 108 6.612 8.120 4.838 770 H GLY 109 H GLY 109 1.695 11.649 2.929 771 1HA GLY 109 1HA GLY 109 -0.345 9.762 3.763 772 2HA GLY 109 2HA GLY 109 -0.377 11.304 4.594 773 H VAL 110 H VAL 110 -2.545 10.523 2.998 774 HA VAL 110 HA VAL 110 -2.424 12.600 0.968 775 HB VAL 110 HB VAL 110 -2.151 9.870 0.338 776 1HG1 VAL 110 1HG1 VAL 110 -4.117 9.374 -1.010 777 2HG1 VAL 110 2HG1 VAL 110 -4.594 9.645 0.683 778 3HG1 VAL 110 3HG1 VAL 110 -4.867 10.915 -0.533 779 1HG2 VAL 110 1HG2 VAL 110 -1.462 12.098 -0.844 780 2HG2 VAL 110 2HG2 VAL 110 -1.802 10.649 -1.822 781 3HG2 VAL 110 3HG2 VAL 110 -3.030 11.930 -1.673 782 H THR 111 H THR 111 -4.726 13.015 0.099 783 HA THR 111 HA THR 111 -6.628 12.540 2.301 784 HB THR 111 HB THR 111 -7.538 14.784 1.706 785 HG1 THR 111 1HG THR 111 -6.477 15.874 -0.057 786 1HG2 THR 111 1HG2 THR 111 -4.551 14.543 2.216 787 2HG2 THR 111 2HG2 THR 111 -5.277 16.145 1.940 788 3HG2 THR 111 3HG2 THR 111 -5.821 15.146 3.309 789 H ARG 112 H ARG 112 -5.949 12.338 -1.150 790 HA ARG 112 HA ARG 112 -8.396 10.857 -1.395 791 2HB ARG 112 2HB ARG 112 -9.505 12.333 -2.736 792 2HG ARG 112 2HG ARG 112 -7.159 14.070 -1.879 793 2HD ARG 112 2HD ARG 112 -8.268 14.767 -4.148 794 HE ARG 112 HE ARG 112 -10.629 14.542 -2.654 795 1HH1 ARG 112 2HH2 ARG 112 -9.026 17.117 -4.487 796 2HH1 ARG 112 1HH2 ARG 112 -10.506 17.919 -4.894 797 2HH2 ARG 112 1HH ARG 112 -12.585 17.008 -4.122 798 H ASP 113 H ASP 113 -5.504 12.254 -3.092 799 HA ASP 113 HA ASP 113 -4.183 10.031 -3.598 800 2HB ASP 113 2HB ASP 113 -6.616 10.055 -5.223 801 HD2 ASP 113 HD ASP 113 -6.779 9.545 -7.382 802 H GLY 114 H GLY 114 -5.505 13.103 -4.727 803 1HA GLY 114 1HA GLY 114 -3.540 13.643 -6.737 804 2HA GLY 114 2HA GLY 114 -4.691 14.762 -6.033 805 H GLU 115 H GLU 115 -4.219 15.547 -3.733 806 HA GLU 115 HA GLU 115 -1.493 16.348 -3.678 807 2HB GLU 115 2HB GLU 115 -3.865 16.918 -1.854 808 2HG GLU 115 2HG GLU 115 -0.962 17.783 -1.705 809 HE2 GLU 115 HE GLU 115 -2.704 19.955 -2.744 810 H ILE 116 H ILE 116 -0.029 16.060 -1.809 811 HA ILE 116 HA ILE 116 -0.739 13.788 -0.111 812 HB ILE 116 HB ILE 116 1.250 12.632 -0.542 813 2HG1 ILE 116 2HG1 ILE 116 2.190 15.221 -1.647 814 1HG2 ILE 116 1HG2 ILE 116 -0.662 12.931 -2.454 815 2HG2 ILE 116 2HG2 ILE 116 0.807 13.337 -3.371 816 3HG2 ILE 116 3HG2 ILE 116 0.683 11.769 -2.536 817 1HD1 ILE 116 1HD1 ILE 116 3.956 14.818 -0.243 818 2HD1 ILE 116 2HD1 ILE 116 2.840 13.655 0.513 819 3HD1 ILE 116 3HD1 ILE 116 4.036 13.094 -0.680 820 H ILE 117 H ILE 117 0.927 13.599 1.749 821 HA ILE 117 HA ILE 117 1.963 16.255 2.419 822 HB ILE 117 HB ILE 117 1.154 15.841 4.762 823 2HG1 ILE 117 2HG1 ILE 117 0.113 13.425 3.475 824 1HG2 ILE 117 1HG2 ILE 117 -1.383 16.109 3.431 825 2HG2 ILE 117 2HG2 ILE 117 -0.390 17.344 4.243 826 3HG2 ILE 117 3HG2 ILE 117 -0.123 16.977 2.522 827 1HD1 ILE 117 1HD1 ILE 117 -0.167 12.859 5.973 828 2HD1 ILE 117 2HD1 ILE 117 1.492 13.205 5.426 829 3HD1 ILE 117 3HD1 ILE 117 0.567 14.446 6.307 830 H VAL 118 H VAL 118 3.923 16.248 3.535 831 HA VAL 118 HA VAL 118 4.972 13.608 4.243 832 HB VAL 118 HB VAL 118 5.755 14.197 1.996 833 1HG1 VAL 118 1HG1 VAL 118 5.889 16.450 1.680 834 2HG1 VAL 118 2HG1 VAL 118 6.431 16.766 3.345 835 3HG1 VAL 118 3HG1 VAL 118 7.586 16.159 2.134 836 1HG2 VAL 118 1HG2 VAL 118 8.257 14.120 2.537 837 2HG2 VAL 118 2HG2 VAL 118 7.772 14.170 4.249 838 3HG2 VAL 118 3HG2 VAL 118 7.242 12.824 3.213 839 H ASP 119 H ASP 119 6.702 13.697 5.864 840 HA ASP 119 HA ASP 119 7.446 16.130 7.000 841 2HB ASP 119 2HB ASP 119 5.666 14.520 8.850 842 HD2 ASP 119 HD ASP 119 5.912 17.850 7.963 843 H LEU 120 H LEU 120 9.438 15.626 7.943 844 HA LEU 120 HA LEU 120 10.082 12.848 8.319 845 2HB LEU 120 2HB LEU 120 12.340 13.776 8.842 846 HG LEU 120 HG LEU 120 11.165 13.596 6.338 847 1HD1 LEU 120 1HD1 LEU 120 11.386 16.341 6.841 848 2HD1 LEU 120 2HD1 LEU 120 12.763 15.944 5.785 849 3HD1 LEU 120 3HD1 LEU 120 11.105 15.543 5.275 850 1HD2 LEU 120 1HD2 LEU 120 13.927 13.843 7.416 851 2HD2 LEU 120 2HD2 LEU 120 13.167 12.538 6.472 852 3HD2 LEU 120 3HD2 LEU 120 13.714 14.023 5.658 853 H ASN 121 H ASN 121 8.037 13.264 10.015 854 HA ASN 121 HA ASN 121 7.428 13.044 12.083 855 2HB ASN 121 2HB ASN 121 10.401 12.486 12.420 856 1HD2 ASN 121 1HD2 ASN 121 11.317 12.731 14.299 857 2HD2 ASN 121 2HD2 ASN 121 10.544 12.832 15.845 858 H SER 122 H SER 122 6.987 14.486 13.860 859 HA SER 122 HA SER 122 6.847 16.478 14.751 860 2HB SER 122 2HB SER 122 9.437 17.213 15.460 861 HG SER 122 HG SER 122 7.461 16.623 16.810 Start of MODEL 5 1 H MET 1 H MET 1 -0.841 -12.325 -18.585 2 HA MET 1 HA MET 1 0.394 -10.968 -20.156 3 2HB MET 1 2HB MET 1 -0.555 -9.199 -17.854 4 2HG MET 1 2HG MET 1 -1.670 -8.776 -20.545 5 1HE MET 1 1HE MET 1 0.102 -5.072 -20.234 6 2HE MET 1 2HE MET 1 0.401 -6.558 -21.168 7 3HE MET 1 3HE MET 1 -1.201 -5.783 -21.217 8 H ARG 2 H ARG 2 1.160 -10.225 -16.681 9 HA ARG 2 HA ARG 2 3.882 -10.090 -17.216 10 2HB ARG 2 2HB ARG 2 3.390 -7.383 -16.311 11 2HG ARG 2 2HG ARG 2 4.587 -8.628 -18.822 12 2HD ARG 2 2HD ARG 2 4.872 -5.712 -17.994 13 HE ARG 2 HE ARG 2 6.179 -7.279 -19.932 14 1HH1 ARG 2 2HH2 ARG 2 4.289 -4.282 -19.902 15 2HH1 ARG 2 1HH2 ARG 2 5.098 -3.612 -21.280 16 2HH2 ARG 2 1HH ARG 2 6.833 -4.872 -22.350 17 H GLU 3 H GLU 3 5.129 -9.540 -15.190 18 HA GLU 3 HA GLU 3 3.372 -9.664 -12.862 19 2HB GLU 3 2HB GLU 3 4.513 -11.828 -13.246 20 2HG GLU 3 2HG GLU 3 7.050 -10.145 -12.989 21 HE2 GLU 3 HE GLU 3 8.347 -13.046 -14.134 22 H ARG 4 H ARG 4 4.047 -8.474 -10.975 23 HA ARG 4 HA ARG 4 6.457 -7.227 -10.720 24 2HB ARG 4 2HB ARG 4 4.575 -5.012 -11.425 25 2HG ARG 4 2HG ARG 4 7.423 -5.455 -12.386 26 2HD ARG 4 2HD ARG 4 5.515 -3.157 -12.071 27 HE ARG 4 HE ARG 4 8.200 -3.025 -10.991 28 1HH1 ARG 4 2HH2 ARG 4 5.847 -1.167 -12.880 29 2HH1 ARG 4 1HH2 ARG 4 6.515 0.368 -12.433 30 2HH2 ARG 4 1HH ARG 4 8.415 0.443 -10.975 31 H GLY 5 H GLY 5 6.383 -5.522 -8.905 32 1HA GLY 5 1HA GLY 5 5.586 -4.723 -6.954 33 2HA GLY 5 2HA GLY 5 3.955 -5.047 -7.508 34 H TRP 6 H TRP 6 5.078 -5.496 -4.809 35 HA TRP 6 HA TRP 6 5.384 -7.099 -3.270 36 2HB TRP 6 2HB TRP 6 3.308 -7.613 -2.754 37 HD1 TRP 6 HD TRP 6 2.555 -5.044 -3.803 38 HE1 TRP 6 1HE TRP 6 0.666 -4.394 -5.529 39 HE3 TRP 6 3HE TRP 6 2.104 -9.676 -5.853 40 HZ2 TRP 6 2HZ TRP 6 -0.772 -5.858 -7.511 41 HZ3 TRP 6 3HZ TRP 6 0.434 -9.980 -7.679 42 HH2 TRP 6 HH TRP 6 -0.976 -8.165 -8.511 43 H SER 7 H SER 7 7.285 -7.478 -5.214 44 HA SER 7 HA SER 7 7.100 -10.015 -6.408 45 2HB SER 7 2HB SER 7 8.516 -8.268 -7.368 46 HG SER 7 HG SER 7 9.633 -7.059 -6.002 47 H GLN 8 H GLN 8 6.352 -10.883 -4.091 48 HA GLN 8 HA GLN 8 6.799 -11.884 -2.178 49 2HB GLN 8 2HB GLN 8 9.093 -13.410 -3.269 50 2HG GLN 8 2HG GLN 8 6.696 -14.942 -3.127 51 1HE2 GLN 8 1HE2 GLN 8 8.097 -16.597 -3.128 52 2HE2 GLN 8 2HE2 GLN 8 9.196 -16.982 -1.845 53 H LYS 9 H LYS 9 7.868 -9.460 -1.799 54 HA LYS 9 HA LYS 9 10.657 -9.429 -1.396 55 2HB LYS 9 2HB LYS 9 9.085 -7.562 0.232 56 2HG LYS 9 2HG LYS 9 11.555 -7.578 -0.950 57 2HD LYS 9 2HD LYS 9 9.585 -6.349 -2.893 58 2HE LYS 9 2HE LYS 9 12.422 -5.587 -3.276 59 1HZ LYS 9 1HZ LYS 9 9.775 -4.546 -3.763 60 2HZ LYS 9 2HZ LYS 9 10.846 -3.391 -3.351 61 H LYS 10 H LYS 10 8.016 -9.302 1.101 62 HA LYS 10 HA LYS 10 9.588 -11.196 2.674 63 2HB LYS 10 2HB LYS 10 8.551 -9.329 4.515 64 2HG LYS 10 2HG LYS 10 11.419 -9.507 3.500 65 2HD LYS 10 2HD LYS 10 10.035 -8.479 5.929 66 2HE LYS 10 2HE LYS 10 11.651 -10.740 6.303 67 1HZ LYS 10 1HZ LYS 10 13.587 -9.614 7.462 68 2HZ LYS 10 2HZ LYS 10 13.668 -9.604 5.836 69 H ILE 11 H ILE 11 6.784 -9.243 3.731 70 HA ILE 11 HA ILE 11 5.338 -11.646 4.267 71 HB ILE 11 HB ILE 11 4.398 -8.785 4.440 72 2HG1 ILE 11 2HG1 ILE 11 6.510 -9.005 5.644 73 1HG2 ILE 11 1HG2 ILE 11 2.923 -9.709 6.216 74 2HG2 ILE 11 2HG2 ILE 11 2.582 -10.352 4.592 75 3HG2 ILE 11 3HG2 ILE 11 3.473 -11.342 5.773 76 1HD1 ILE 11 1HD1 ILE 11 4.528 -7.717 6.636 77 2HD1 ILE 11 2HD1 ILE 11 4.220 -9.148 7.649 78 3HD1 ILE 11 3HD1 ILE 11 5.754 -8.260 7.807 79 H ALA 12 H ALA 12 6.023 -10.118 1.418 80 HA ALA 12 HA ALA 12 3.721 -9.617 0.095 81 1HB ALA 12 1HB ALA 12 5.568 -9.268 -1.218 82 2HB ALA 12 2HB ALA 12 6.403 -10.723 -0.620 83 3HB ALA 12 3HB ALA 12 5.118 -10.871 -1.844 84 H ARG 13 H ARG 13 5.091 -12.812 1.002 85 HA ARG 13 HA ARG 13 3.506 -14.390 -0.532 86 2HB ARG 13 2HB ARG 13 3.773 -15.567 2.118 87 2HG ARG 13 2HG ARG 13 5.887 -16.278 0.243 88 2HD ARG 13 2HD ARG 13 4.098 -18.339 0.151 89 HE ARG 13 HE ARG 13 6.380 -17.734 1.760 90 1HH1 ARG 13 2HH2 ARG 13 3.552 -19.869 1.803 91 2HH1 ARG 13 1HH2 ARG 13 4.330 -21.087 2.756 92 2HH2 ARG 13 1HH ARG 13 6.598 -20.756 3.459 93 H GLU 14 H GLU 14 2.907 -13.333 2.907 94 HA GLU 14 HA GLU 14 0.438 -14.477 3.155 95 2HB GLU 14 2HB GLU 14 0.496 -11.967 4.593 96 2HG GLU 14 2HG GLU 14 0.666 -14.915 5.166 97 HE2 GLU 14 HE GLU 14 0.336 -12.919 8.136 98 H LEU 15 H LEU 15 1.429 -11.418 1.606 99 HA LEU 15 HA LEU 15 -1.109 -10.256 1.446 100 2HB LEU 15 2HB LEU 15 0.408 -9.472 -0.795 101 HG LEU 15 HG LEU 15 -0.162 -8.296 1.894 102 1HD1 LEU 15 1HD1 LEU 15 1.334 -6.351 0.508 103 2HD1 LEU 15 2HD1 LEU 15 1.736 -7.159 2.042 104 3HD1 LEU 15 3HD1 LEU 15 2.315 -7.836 0.501 105 1HD2 LEU 15 1HD2 LEU 15 -0.616 -7.454 -0.976 106 2HD2 LEU 15 2HD2 LEU 15 -1.825 -7.949 0.233 107 3HD2 LEU 15 3HD2 LEU 15 -0.955 -6.407 0.424 108 H LYS 16 H LYS 16 0.748 -12.270 -0.936 109 HA LYS 16 HA LYS 16 -1.170 -12.320 -2.904 110 2HB LYS 16 2HB LYS 16 -0.054 -14.670 -3.339 111 2HG LYS 16 2HG LYS 16 0.937 -11.869 -3.627 112 2HD LYS 16 2HD LYS 16 2.763 -14.254 -3.531 113 2HE LYS 16 2HE LYS 16 4.273 -12.832 -5.159 114 1HZ LYS 16 1HZ LYS 16 3.804 -14.484 -6.603 115 2HZ LYS 16 2HZ LYS 16 2.685 -15.018 -5.545 116 H THR 17 H THR 17 -0.943 -14.156 0.155 117 HA THR 17 HA THR 17 -3.127 -15.888 -0.551 118 HB THR 17 HB THR 17 -1.489 -15.342 1.973 119 HG1 THR 17 1HG THR 17 -0.486 -16.518 0.203 120 1HG2 THR 17 1HG2 THR 17 -3.551 -16.209 2.864 121 2HG2 THR 17 2HG2 THR 17 -3.800 -17.268 1.455 122 3HG2 THR 17 3HG2 THR 17 -2.521 -17.643 2.635 123 H THR 18 H THR 18 -2.718 -12.713 0.925 124 HA THR 18 HA THR 18 -5.390 -12.769 2.047 125 HB THR 18 HB THR 18 -2.987 -11.486 2.663 126 HG1 THR 18 1HG THR 18 -5.708 -10.547 3.204 127 1HG2 THR 18 1HG2 THR 18 -4.936 -9.290 1.902 128 2HG2 THR 18 2HG2 THR 18 -3.196 -9.167 2.252 129 3HG2 THR 18 3HG2 THR 18 -3.745 -9.843 0.699 130 H ARG 19 H ARG 19 -6.720 -10.625 1.567 131 HA ARG 19 HA ARG 19 -6.590 -9.359 -0.790 132 2HB ARG 19 2HB ARG 19 -6.762 -11.329 -2.130 133 2HG ARG 19 2HG ARG 19 -9.173 -12.265 -0.527 134 2HD ARG 19 2HD ARG 19 -7.265 -13.523 -2.544 135 HE ARG 19 HE ARG 19 -8.482 -14.870 -0.330 136 1HH1 ARG 19 2HH2 ARG 19 -8.148 -15.201 -3.843 137 2HH1 ARG 19 1HH2 ARG 19 -8.302 -16.926 -3.820 138 2HH2 ARG 19 1HH ARG 19 -8.618 -18.049 -1.725 139 H GLN 20 H GLN 20 -8.811 -11.260 1.332 140 HA GLN 20 HA GLN 20 -10.819 -10.827 2.107 141 2HB GLN 20 2HB GLN 20 -9.562 -8.094 2.619 142 2HG GLN 20 2HG GLN 20 -12.149 -9.165 3.279 143 1HE2 GLN 20 1HE2 GLN 20 -12.375 -7.707 5.789 144 2HE2 GLN 20 2HE2 GLN 20 -11.832 -8.758 7.053 145 H ASN 21 H ASN 21 -10.620 -10.389 -0.775 146 HA ASN 21 HA ASN 21 -11.647 -9.462 -2.452 147 2HB ASN 21 2HB ASN 21 -14.088 -8.982 -2.148 148 1HD2 ASN 21 1HD2 ASN 21 -15.665 -10.595 -0.898 149 2HD2 ASN 21 2HD2 ASN 21 -15.184 -12.258 -0.969 150 H VAL 22 H VAL 22 -10.075 -7.670 -0.509 151 HA VAL 22 HA VAL 22 -11.489 -5.139 -0.789 152 HB VAL 22 HB VAL 22 -9.060 -6.073 0.728 153 1HG1 VAL 22 1HG1 VAL 22 -9.428 -3.492 1.572 154 2HG1 VAL 22 2HG1 VAL 22 -8.184 -4.021 0.414 155 3HG1 VAL 22 3HG1 VAL 22 -9.722 -3.346 -0.178 156 1HG2 VAL 22 1HG2 VAL 22 -11.859 -5.708 1.326 157 2HG2 VAL 22 2HG2 VAL 22 -10.564 -6.383 2.345 158 3HG2 VAL 22 3HG2 VAL 22 -10.875 -4.630 2.346 159 H SER 23 H SER 23 -11.175 -5.731 -3.271 160 HA SER 23 HA SER 23 -10.375 -4.681 -5.059 161 2HB SER 23 2HB SER 23 -7.718 -4.045 -3.758 162 HG SER 23 HG SER 23 -8.587 -1.967 -5.080 163 H ALA 24 H ALA 24 -8.194 -6.652 -2.993 164 HA ALA 24 HA ALA 24 -6.557 -8.098 -3.564 165 1HB ALA 24 1HB ALA 24 -8.542 -9.362 -5.426 166 2HB ALA 24 2HB ALA 24 -7.579 -10.093 -4.121 167 3HB ALA 24 3HB ALA 24 -9.019 -9.124 -3.729 168 H ILE 25 H ILE 25 -5.893 -5.883 -4.945 169 HA ILE 25 HA ILE 25 -5.971 -5.899 -7.673 170 HB ILE 25 HB ILE 25 -3.945 -4.912 -5.689 171 2HG1 ILE 25 2HG1 ILE 25 -6.267 -3.893 -5.947 172 1HG2 ILE 25 1HG2 ILE 25 -3.841 -4.497 -8.690 173 2HG2 ILE 25 2HG2 ILE 25 -2.801 -3.713 -7.477 174 3HG2 ILE 25 3HG2 ILE 25 -2.704 -5.472 -7.728 175 1HD1 ILE 25 1HD1 ILE 25 -4.683 -2.521 -4.845 176 2HD1 ILE 25 2HD1 ILE 25 -3.670 -2.365 -6.301 177 3HD1 ILE 25 3HD1 ILE 25 -5.226 -1.506 -6.203 178 H GLU 26 H GLU 26 -4.306 -8.090 -5.503 179 HA GLU 26 HA GLU 26 -2.374 -8.912 -7.385 180 2HB GLU 26 2HB GLU 26 -1.936 -10.742 -5.774 181 2HG GLU 26 2HG GLU 26 -1.550 -8.067 -5.308 182 HE2 GLU 26 HE GLU 26 -1.684 -7.088 -2.655 183 H ARG 27 H ARG 27 -5.394 -10.476 -6.082 184 HA ARG 27 HA ARG 27 -5.296 -12.598 -7.844 185 2HB ARG 27 2HB ARG 27 -7.953 -12.476 -7.309 186 2HG ARG 27 2HG ARG 27 -7.198 -13.271 -4.857 187 2HD ARG 27 2HD ARG 27 -7.580 -14.543 -7.342 188 HE ARG 27 HE ARG 27 -5.447 -15.349 -7.847 189 1HH1 ARG 27 2HH2 ARG 27 -5.875 -15.436 -4.331 190 2HH1 ARG 27 1HH2 ARG 27 -4.376 -16.255 -4.044 191 2HH2 ARG 27 1HH ARG 27 -2.977 -16.829 -5.904 192 H LYS 28 H LYS 28 -6.625 -9.291 -8.094 193 HA LYS 28 HA LYS 28 -8.230 -9.744 -10.359 194 2HB LYS 28 2HB LYS 28 -7.855 -7.155 -10.553 195 2HG LYS 28 2HG LYS 28 -9.370 -6.875 -8.480 196 2HD LYS 28 2HD LYS 28 -9.848 -8.406 -10.957 197 2HE LYS 28 2HE LYS 28 -12.276 -8.909 -9.836 198 1HZ LYS 28 1HZ LYS 28 -11.673 -11.112 -10.077 199 2HZ LYS 28 2HZ LYS 28 -10.469 -10.437 -10.942 200 H ALA 29 H ALA 29 -4.992 -8.106 -10.075 201 HA ALA 29 HA ALA 29 -4.467 -7.852 -12.729 202 1HB ALA 29 1HB ALA 29 -2.478 -8.622 -10.557 203 2HB ALA 29 2HB ALA 29 -2.124 -7.752 -12.070 204 3HB ALA 29 3HB ALA 29 -3.117 -6.981 -10.809 205 H MET 30 H MET 30 -4.146 -10.766 -10.647 206 HA MET 30 HA MET 30 -2.909 -12.262 -12.709 207 2HB MET 30 2HB MET 30 -4.301 -13.811 -10.607 208 2HG MET 30 2HG MET 30 -1.612 -13.958 -10.049 209 1HE MET 30 1HE MET 30 -1.253 -16.498 -9.707 210 2HE MET 30 2HE MET 30 -1.157 -17.501 -11.175 211 3HE MET 30 3HE MET 30 -0.254 -15.970 -11.082 212 H GLU 31 H GLU 31 -6.200 -11.432 -11.832 213 HA GLU 31 HA GLU 31 -7.329 -13.704 -13.134 214 2HB GLU 31 2HB GLU 31 -9.359 -11.795 -12.829 215 2HG GLU 31 2HG GLU 31 -9.786 -13.082 -10.644 216 HE2 GLU 31 HE GLU 31 -11.385 -14.262 -11.262 217 H ASN 32 H ASN 32 -5.574 -12.574 -14.932 218 HA ASN 32 HA ASN 32 -5.350 -11.644 -16.888 219 2HB ASN 32 2HB ASN 32 -7.622 -11.881 -18.349 220 1HD2 ASN 32 1HD2 ASN 32 -8.001 -14.873 -17.716 221 2HD2 ASN 32 2HD2 ASN 32 -6.615 -15.644 -18.411 222 H ILE 33 H ILE 33 -6.171 -9.808 -14.755 223 HA ILE 33 HA ILE 33 -8.279 -8.169 -15.265 224 HB ILE 33 HB ILE 33 -6.119 -8.216 -13.561 225 2HG1 ILE 33 2HG1 ILE 33 -8.191 -7.627 -12.698 226 1HG2 ILE 33 1HG2 ILE 33 -4.771 -6.899 -15.128 227 2HG2 ILE 33 2HG2 ILE 33 -6.011 -5.621 -15.123 228 3HG2 ILE 33 3HG2 ILE 33 -5.114 -5.997 -13.633 229 1HD1 ILE 33 1HD1 ILE 33 -6.770 -4.939 -12.961 230 2HD1 ILE 33 2HD1 ILE 33 -7.949 -5.399 -11.710 231 3HD1 ILE 33 3HD1 ILE 33 -6.352 -6.184 -11.760 232 H GLU 34 H GLU 34 -8.920 -6.993 -16.982 233 HA GLU 34 HA GLU 34 -7.193 -5.305 -18.337 234 2HB GLU 34 2HB GLU 34 -8.008 -7.636 -20.103 235 2HG GLU 34 2HG GLU 34 -5.894 -5.438 -20.285 236 HE2 GLU 34 HE GLU 34 -4.499 -8.099 -21.115 237 H LYS 35 H LYS 35 -10.160 -7.321 -18.356 238 HA LYS 35 HA LYS 35 -11.612 -4.957 -19.282 239 2HB LYS 35 2HB LYS 35 -13.080 -6.864 -20.469 240 2HG LYS 35 2HG LYS 35 -10.937 -5.009 -21.307 241 2HD LYS 35 2HD LYS 35 -11.704 -6.812 -23.538 242 2HE LYS 35 2HE LYS 35 -8.927 -5.913 -22.679 243 1HZ LYS 35 1HZ LYS 35 -8.847 -5.800 -25.223 244 2HZ LYS 35 2HZ LYS 35 -8.874 -7.292 -24.571 245 H SER 36 H SER 36 -10.978 -6.402 -16.644 246 HA SER 36 HA SER 36 -13.771 -6.627 -15.876 247 2HB SER 36 2HB SER 36 -12.057 -8.372 -14.271 248 HG SER 36 HG SER 36 -14.037 -9.181 -14.178 249 H ARG 37 H ARG 37 -12.042 -4.329 -15.716 250 HA ARG 37 HA ARG 37 -10.950 -4.290 -13.092 251 2HB ARG 37 2HB ARG 37 -10.174 -2.082 -13.649 252 2HG ARG 37 2HG ARG 37 -10.383 -3.222 -16.443 253 2HD ARG 37 2HD ARG 37 -7.707 -2.775 -15.669 254 HE ARG 37 HE ARG 37 -9.410 -1.849 -17.671 255 1HH1 ARG 37 2HH2 ARG 37 -6.936 -0.355 -15.621 256 2HH1 ARG 37 1HH2 ARG 37 -6.514 0.849 -16.793 257 2HH2 ARG 37 1HH ARG 37 -7.656 0.885 -18.901 258 H ASN 38 H ASN 38 -11.794 -1.348 -12.758 259 HA ASN 38 HA ASN 38 -13.547 -0.133 -12.148 260 2HB ASN 38 2HB ASN 38 -15.376 -2.551 -11.911 261 1HD2 ASN 38 1HD2 ASN 38 -16.862 -0.992 -14.072 262 2HD2 ASN 38 2HD2 ASN 38 -17.681 0.279 -13.227 263 H THR 39 H THR 39 -11.933 -2.653 -10.734 264 HA THR 39 HA THR 39 -13.376 -2.848 -8.251 265 HB THR 39 HB THR 39 -10.675 -3.858 -9.278 266 HG1 THR 39 1HG THR 39 -12.036 -5.504 -9.881 267 1HG2 THR 39 1HG2 THR 39 -10.898 -5.459 -7.297 268 2HG2 THR 39 2HG2 THR 39 -10.494 -3.788 -6.837 269 3HG2 THR 39 3HG2 THR 39 -12.161 -4.383 -6.654 270 H LEU 40 H LEU 40 -9.867 -2.191 -8.443 271 HA LEU 40 HA LEU 40 -9.760 -0.680 -6.192 272 2HB LEU 40 2HB LEU 40 -7.845 -1.604 -7.400 273 HG LEU 40 HG LEU 40 -6.731 -0.392 -9.171 274 1HD1 LEU 40 1HD1 LEU 40 -8.079 -1.043 -11.034 275 2HD1 LEU 40 2HD1 LEU 40 -8.352 -2.217 -9.724 276 3HD1 LEU 40 3HD1 LEU 40 -9.568 -0.960 -10.062 277 1HD2 LEU 40 1HD2 LEU 40 -9.026 1.304 -9.916 278 2HD2 LEU 40 2HD2 LEU 40 -8.181 1.781 -8.425 279 3HD2 LEU 40 3HD2 LEU 40 -7.279 1.641 -9.953 280 H ASP 41 H ASP 41 -11.066 0.188 -9.334 281 HA ASP 41 HA ASP 41 -10.829 2.965 -8.974 282 2HB ASP 41 2HB ASP 41 -12.888 1.475 -10.662 283 HD2 ASP 41 HD ASP 41 -13.640 4.124 -12.438 284 H PHE 42 H PHE 42 -13.585 0.582 -8.770 285 HA PHE 42 HA PHE 42 -15.586 2.240 -8.009 286 2HB PHE 42 2HB PHE 42 -14.724 -0.603 -7.301 287 HD1 PHE 42 1HD PHE 42 -18.193 0.546 -7.551 288 HD2 PHE 42 2HD PHE 42 -15.125 -0.742 -4.918 289 HE1 PHE 42 1HE PHE 42 -19.891 0.225 -5.731 290 HE2 PHE 42 2HE PHE 42 -16.823 -1.062 -3.096 291 HZ PHE 42 HZ PHE 42 -19.185 -0.574 -3.525 292 H VAL 43 H VAL 43 -12.961 0.866 -5.964 293 HA VAL 43 HA VAL 43 -14.106 1.935 -3.565 294 HB VAL 43 HB VAL 43 -12.180 0.012 -4.294 295 1HG1 VAL 43 1HG1 VAL 43 -10.992 2.226 -2.591 296 2HG1 VAL 43 2HG1 VAL 43 -10.299 0.597 -2.768 297 3HG1 VAL 43 3HG1 VAL 43 -10.420 1.670 -4.182 298 1HG2 VAL 43 1HG2 VAL 43 -12.142 -0.083 -1.601 299 2HG2 VAL 43 2HG2 VAL 43 -13.583 0.935 -1.837 300 3HG2 VAL 43 3HG2 VAL 43 -13.505 -0.681 -2.579 301 H LYS 44 H LYS 44 -11.682 2.882 -6.015 302 HA LYS 44 HA LYS 44 -10.382 4.868 -4.631 303 2HB LYS 44 2HB LYS 44 -10.834 5.629 -7.385 304 2HG LYS 44 2HG LYS 44 -8.352 4.199 -6.540 305 2HD LYS 44 2HD LYS 44 -7.298 6.213 -7.503 306 2HE LYS 44 2HE LYS 44 -9.663 5.270 -9.196 307 1HZ LYS 44 1HZ LYS 44 -7.041 6.300 -10.115 308 2HZ LYS 44 2HZ LYS 44 -8.368 6.028 -11.018 309 H SER 45 H SER 45 -13.638 4.815 -6.084 310 HA SER 45 HA SER 45 -14.170 7.450 -6.253 311 2HB SER 45 2HB SER 45 -15.985 5.206 -5.270 312 HG SER 45 HG SER 45 -17.721 6.540 -5.760 313 H LEU 46 H LEU 46 -14.359 5.331 -3.320 314 HA LEU 46 HA LEU 46 -15.474 6.944 -1.503 315 2HB LEU 46 2HB LEU 46 -13.192 5.855 -0.238 316 HG LEU 46 HG LEU 46 -15.936 4.615 -0.594 317 1HD1 LEU 46 1HD1 LEU 46 -15.096 3.663 1.765 318 2HD1 LEU 46 2HD1 LEU 46 -14.815 2.823 0.220 319 3HD1 LEU 46 3HD1 LEU 46 -13.523 3.812 0.944 320 1HD2 LEU 46 1HD2 LEU 46 -16.665 5.723 1.315 321 2HD2 LEU 46 2HD2 LEU 46 -15.011 6.117 1.844 322 3HD2 LEU 46 3HD2 LEU 46 -15.727 6.970 0.456 323 H LYS 47 H LYS 47 -11.929 7.001 -2.313 324 HA LYS 47 HA LYS 47 -10.420 8.600 -2.140 325 2HB LYS 47 2HB LYS 47 -11.719 11.044 -2.199 326 2HG LYS 47 2HG LYS 47 -11.109 9.225 -4.574 327 2HD LYS 47 2HD LYS 47 -10.340 11.685 -5.354 328 2HE LYS 47 2HE LYS 47 -12.807 10.103 -5.633 329 1HZ LYS 47 1HZ LYS 47 -14.008 12.032 -5.064 330 2HZ LYS 47 2HZ LYS 47 -12.954 13.054 -5.767 331 H SER 48 H SER 48 -10.753 7.438 0.199 332 HA SER 48 HA SER 48 -11.495 9.424 2.145 333 2HB SER 48 2HB SER 48 -12.167 7.026 2.412 334 HG SER 48 HG SER 48 -9.461 6.636 2.017 335 HA PRO 49 HA PRO 49 -7.371 10.612 2.878 336 2HB PRO 49 2HB PRO 49 -8.037 12.560 3.910 337 2HG PRO 49 2HG PRO 49 -10.187 12.522 4.742 338 2HD PRO 49 2HD PRO 49 -11.114 10.897 3.406 339 H VAL 50 H VAL 50 -5.373 10.043 3.768 340 HA VAL 50 HA VAL 50 -5.514 8.147 5.954 341 HB VAL 50 HB VAL 50 -4.134 7.372 3.389 342 1HG1 VAL 50 1HG1 VAL 50 -3.250 6.208 5.266 343 2HG1 VAL 50 2HG1 VAL 50 -4.870 5.911 5.939 344 3HG1 VAL 50 3HG1 VAL 50 -4.357 5.078 4.452 345 1HG2 VAL 50 1HG2 VAL 50 -6.466 7.532 2.808 346 2HG2 VAL 50 2HG2 VAL 50 -6.056 5.813 3.008 347 3HG2 VAL 50 3HG2 VAL 50 -6.946 6.670 4.289 348 H ARG 51 H ARG 51 -3.272 7.647 6.784 349 HA ARG 51 HA ARG 51 -1.209 9.347 5.825 350 2HB ARG 51 2HB ARG 51 -2.242 9.780 8.673 351 2HG ARG 51 2HG ARG 51 -0.044 11.069 7.000 352 2HD ARG 51 2HD ARG 51 -1.727 12.617 8.435 353 HE ARG 51 HE ARG 51 -1.513 11.869 10.663 354 1HH1 ARG 51 2HH2 ARG 51 1.698 12.267 9.219 355 2HH1 ARG 51 1HH2 ARG 51 2.534 12.091 10.726 356 2HH2 ARG 51 1HH ARG 51 1.273 11.721 12.731 357 H ILE 52 H ILE 52 0.866 8.601 6.539 358 HA ILE 52 HA ILE 52 1.098 6.833 8.751 359 HB ILE 52 HB ILE 52 2.077 5.099 6.876 360 2HG1 ILE 52 2HG1 ILE 52 0.704 6.669 5.238 361 1HG2 ILE 52 1HG2 ILE 52 0.464 4.962 9.011 362 2HG2 ILE 52 2HG2 ILE 52 -0.740 4.692 7.728 363 3HG2 ILE 52 3HG2 ILE 52 0.675 3.619 7.862 364 1HD1 ILE 52 1HD1 ILE 52 1.897 4.355 4.875 365 2HD1 ILE 52 2HD1 ILE 52 0.250 3.685 4.972 366 3HD1 ILE 52 3HD1 ILE 52 0.655 4.873 3.710 367 H LEU 53 H LEU 53 3.316 6.465 9.302 368 HA LEU 53 HA LEU 53 5.088 8.304 7.881 369 2HB LEU 53 2HB LEU 53 4.778 7.398 10.677 370 HG LEU 53 HG LEU 53 7.485 7.937 9.457 371 1HD1 LEU 53 1HD1 LEU 53 6.691 9.526 11.429 372 2HD1 LEU 53 2HD1 LEU 53 7.139 8.114 12.416 373 3HD1 LEU 53 3HD1 LEU 53 8.346 8.872 11.349 374 1HD2 LEU 53 1HD2 LEU 53 7.716 5.763 9.853 375 2HD2 LEU 53 2HD2 LEU 53 7.684 6.149 11.590 376 3HD2 LEU 53 3HD2 LEU 53 6.182 5.692 10.751 377 H CYS 54 H CYS 54 7.203 7.642 7.214 378 HA CYS 54 HA CYS 54 7.348 4.744 6.833 379 2HB CYS 54 2HB CYS 54 8.552 6.991 5.186 380 HG CYS 54 HG CYS 54 10.369 5.496 4.710 381 H ARG 55 H ARG 55 9.016 3.666 7.861 382 HA ARG 55 HA ARG 55 11.075 5.374 9.008 383 2HB ARG 55 2HB ARG 55 11.316 3.261 10.602 384 2HG ARG 55 2HG ARG 55 8.851 4.296 11.550 385 2HD ARG 55 2HD ARG 55 11.293 5.878 12.173 386 HE ARG 55 HE ARG 55 9.901 4.190 14.151 387 1HH1 ARG 55 2HH2 ARG 55 9.994 7.330 12.511 388 2HH1 ARG 55 1HH2 ARG 55 9.062 8.134 13.730 389 2HH2 ARG 55 1HH ARG 55 8.294 6.891 15.630 390 H ARG 56 H ARG 56 12.989 3.490 9.736 391 HA ARG 56 HA ARG 56 14.332 3.063 7.429 392 2HB ARG 56 2HB ARG 56 15.233 1.010 9.141 393 2HG ARG 56 2HG ARG 56 16.258 3.656 9.896 394 2HD ARG 56 2HD ARG 56 18.106 2.356 8.226 395 HE ARG 56 HE ARG 56 18.213 1.524 11.004 396 1HH1 ARG 56 2HH2 ARG 56 18.487 4.368 8.910 397 2HH1 ARG 56 1HH2 ARG 56 19.483 5.246 10.022 398 2HH2 ARG 56 1HH ARG 56 20.082 4.234 12.111 399 H GLY 57 H GLY 57 14.282 1.516 5.799 400 1HA GLY 57 1HA GLY 57 12.168 -0.175 5.402 401 2HA GLY 57 2HA GLY 57 13.750 -0.360 4.673 402 H ASP 58 H ASP 58 15.205 -0.754 7.234 403 HA ASP 58 HA ASP 58 15.084 -3.479 7.354 404 2HB ASP 58 2HB ASP 58 15.875 -2.109 9.880 405 HD2 ASP 58 HD ASP 58 18.908 -3.560 8.149 406 H THR 59 H THR 59 13.029 -1.025 8.765 407 HA THR 59 HA THR 59 11.834 -3.026 10.570 408 HB THR 59 HB THR 59 12.926 -0.491 11.148 409 HG1 THR 59 1HG THR 59 12.357 -1.378 13.113 410 1HG2 THR 59 1HG2 THR 59 9.908 -0.362 11.539 411 2HG2 THR 59 2HG2 THR 59 11.107 0.937 11.748 412 3HG2 THR 59 3HG2 THR 59 10.669 0.385 10.113 413 H LEU 60 H LEU 60 11.498 -2.003 7.540 414 HA LEU 60 HA LEU 60 9.001 -0.880 7.311 415 2HB LEU 60 2HB LEU 60 9.928 -2.971 5.383 416 HG LEU 60 HG LEU 60 7.950 -1.529 4.840 417 1HD1 LEU 60 1HD1 LEU 60 8.344 0.822 4.230 418 2HD1 LEU 60 2HD1 LEU 60 8.622 0.518 5.961 419 3HD1 LEU 60 3HD1 LEU 60 10.005 0.698 4.855 420 1HD2 LEU 60 1HD2 LEU 60 8.465 -1.834 2.699 421 2HD2 LEU 60 2HD2 LEU 60 9.780 -0.636 2.769 422 3HD2 LEU 60 3HD2 LEU 60 10.088 -2.324 3.241 423 H ASP 61 H ASP 61 9.955 -4.311 7.817 424 HA ASP 61 HA ASP 61 7.504 -5.437 7.377 425 2HB ASP 61 2HB ASP 61 9.637 -6.683 7.758 426 HD2 ASP 61 HD ASP 61 11.129 -5.255 10.728 427 H GLU 62 H GLU 62 9.006 -4.095 10.402 428 HA GLU 62 HA GLU 62 6.730 -4.670 11.969 429 2HB GLU 62 2HB GLU 62 9.328 -3.201 12.357 430 2HG GLU 62 2HG GLU 62 6.784 -2.708 13.863 431 HE2 GLU 62 HE GLU 62 7.454 -3.446 16.826 432 H ILE 63 H ILE 63 8.025 -1.784 10.249 433 HA ILE 63 HA ILE 63 6.280 0.098 11.288 434 HB ILE 63 HB ILE 63 8.337 0.023 9.460 435 2HG1 ILE 63 2HG1 ILE 63 7.878 2.544 9.344 436 1HG2 ILE 63 1HG2 ILE 63 7.447 1.198 7.462 437 2HG2 ILE 63 2HG2 ILE 63 6.899 -0.490 7.600 438 3HG2 ILE 63 3HG2 ILE 63 5.797 0.841 8.028 439 1HD1 ILE 63 1HD1 ILE 63 5.943 2.029 11.597 440 2HD1 ILE 63 2HD1 ILE 63 6.115 3.465 10.560 441 3HD1 ILE 63 3HD1 ILE 63 5.328 2.000 9.927 442 H ILE 64 H ILE 64 5.765 -2.550 9.022 443 HA ILE 64 HA ILE 64 3.466 -1.518 7.780 444 HB ILE 64 HB ILE 64 4.630 -4.261 8.150 445 2HG1 ILE 64 2HG1 ILE 64 5.418 -2.309 6.509 446 1HG2 ILE 64 1HG2 ILE 64 2.724 -4.591 6.205 447 2HG2 ILE 64 2HG2 ILE 64 2.586 -5.132 7.895 448 3HG2 ILE 64 3HG2 ILE 64 1.877 -3.577 7.398 449 1HD1 ILE 64 1HD1 ILE 64 5.685 -5.141 6.643 450 2HD1 ILE 64 2HD1 ILE 64 5.376 -4.749 4.936 451 3HD1 ILE 64 3HD1 ILE 64 6.744 -3.995 5.788 452 H LYS 65 H LYS 65 3.964 -3.657 10.660 453 HA LYS 65 HA LYS 65 1.235 -3.974 11.195 454 2HB LYS 65 2HB LYS 65 3.156 -5.376 12.043 455 2HG LYS 65 2HG LYS 65 3.802 -2.830 13.330 456 2HD LYS 65 2HD LYS 65 3.893 -5.206 15.210 457 2HE LYS 65 2HE LYS 65 3.525 -2.360 16.083 458 1HZ LYS 65 1HZ LYS 65 4.666 -4.817 17.068 459 2HZ LYS 65 2HZ LYS 65 5.602 -3.522 17.382 460 H ARG 66 H ARG 66 3.599 -1.418 11.963 461 HA ARG 66 HA ARG 66 1.914 -0.201 13.866 462 2HB ARG 66 2HB ARG 66 3.578 1.803 13.347 463 2HG ARG 66 2HG ARG 66 5.498 0.179 14.383 464 2HD ARG 66 2HD ARG 66 2.996 1.352 15.639 465 HE ARG 66 HE ARG 66 4.832 -0.556 16.925 466 1HH1 ARG 66 2HH2 ARG 66 2.574 2.127 17.435 467 2HH1 ARG 66 1HH2 ARG 66 2.291 1.737 19.098 468 2HH2 ARG 66 1HH ARG 66 3.409 -0.148 20.068 469 H LEU 67 H LEU 67 2.505 0.079 10.347 470 HA LEU 67 HA LEU 67 1.083 2.515 10.040 471 2HB LEU 67 2HB LEU 67 1.111 1.718 7.590 472 HG LEU 67 HG LEU 67 3.941 1.671 8.353 473 1HD1 LEU 67 1HD1 LEU 67 2.132 3.125 6.482 474 2HD1 LEU 67 2HD1 LEU 67 3.669 3.903 6.931 475 3HD1 LEU 67 3HD1 LEU 67 3.675 2.290 6.180 476 1HD2 LEU 67 1HD2 LEU 67 2.231 3.984 9.311 477 2HD2 LEU 67 2HD2 LEU 67 3.136 2.840 10.330 478 3HD2 LEU 67 3HD2 LEU 67 4.010 3.956 9.255 479 H LEU 68 H LEU 68 0.283 -0.986 9.767 480 HA LEU 68 HA LEU 68 -2.184 -0.840 8.645 481 2HB LEU 68 2HB LEU 68 -0.699 -2.802 9.600 482 HG LEU 68 HG LEU 68 -1.467 -2.187 12.020 483 1HD1 LEU 68 1HD1 LEU 68 -3.959 -3.372 10.828 484 2HD1 LEU 68 2HD1 LEU 68 -3.571 -3.621 12.548 485 3HD1 LEU 68 3HD1 LEU 68 -3.769 -1.970 11.909 486 1HD2 LEU 68 1HD2 LEU 68 -0.413 -4.112 12.338 487 2HD2 LEU 68 2HD2 LEU 68 -1.946 -4.967 12.040 488 3HD2 LEU 68 3HD2 LEU 68 -0.822 -4.658 10.695 489 H GLU 69 H GLU 69 -1.278 -0.220 12.082 490 HA GLU 69 HA GLU 69 -3.803 0.030 13.080 491 2HB GLU 69 2HB GLU 69 -2.772 1.354 14.884 492 2HG GLU 69 2HG GLU 69 -0.433 -0.181 14.771 493 HE2 GLU 69 HE GLU 69 -1.396 -0.965 17.548 494 H GLU 70 H GLU 70 -2.006 2.156 10.926 495 HA GLU 70 HA GLU 70 -3.854 4.317 11.440 496 2HB GLU 70 2HB GLU 70 -2.371 5.657 10.005 497 2HG GLU 70 2HG GLU 70 -0.081 4.834 11.245 498 HE2 GLU 70 HE GLU 70 0.188 7.117 12.427 499 H SER 71 H SER 71 -2.832 2.012 8.868 500 HA SER 71 HA SER 71 -4.738 3.115 7.047 501 2HB SER 71 2HB SER 71 -3.841 0.610 6.072 502 HG SER 71 HG SER 71 -3.554 2.054 4.517 503 H ASN 72 H ASN 72 -4.180 -0.236 8.375 504 HA ASN 72 HA ASN 72 -6.411 -1.426 7.653 505 2HB ASN 72 2HB ASN 72 -5.879 -1.834 10.559 506 1HD2 ASN 72 1HD2 ASN 72 -6.317 -3.864 11.039 507 2HD2 ASN 72 2HD2 ASN 72 -6.560 -5.162 9.919 508 H LYS 73 H LYS 73 -6.063 1.187 10.036 509 HA LYS 73 HA LYS 73 -8.581 0.825 11.288 510 2HB LYS 73 2HB LYS 73 -7.811 3.491 11.622 511 2HG LYS 73 2HG LYS 73 -6.528 1.979 13.632 512 2HD LYS 73 2HD LYS 73 -8.194 3.917 13.826 513 2HE LYS 73 2HE LYS 73 -9.931 1.967 12.632 514 1HZ LYS 73 1HZ LYS 73 -10.624 1.126 14.693 515 2HZ LYS 73 2HZ LYS 73 -10.508 2.553 15.469 516 H GLU 74 H GLU 74 -7.339 3.098 8.745 517 HA GLU 74 HA GLU 74 -9.919 4.156 8.326 518 2HB GLU 74 2HB GLU 74 -8.848 5.325 6.406 519 2HG GLU 74 2HG GLU 74 -7.129 6.543 7.679 520 HE2 GLU 74 HE GLU 74 -9.258 6.385 10.839 521 H GLY 75 H GLY 75 -7.953 1.534 6.911 522 1HA GLY 75 1HA GLY 75 -10.022 1.063 4.868 523 2HA GLY 75 2HA GLY 75 -8.383 0.443 4.861 524 H ILE 76 H ILE 76 -9.664 -1.643 4.428 525 HA ILE 76 HA ILE 76 -10.887 -2.729 6.830 526 HB ILE 76 HB ILE 76 -10.843 -3.438 3.930 527 2HG1 ILE 76 2HG1 ILE 76 -13.218 -3.401 4.147 528 1HG2 ILE 76 1HG2 ILE 76 -10.190 -5.512 5.091 529 2HG2 ILE 76 2HG2 ILE 76 -11.636 -5.379 6.119 530 3HG2 ILE 76 3HG2 ILE 76 -11.811 -5.620 4.364 531 1HD1 ILE 76 1HD1 ILE 76 -14.069 -4.229 6.093 532 2HD1 ILE 76 2HD1 ILE 76 -12.596 -3.826 7.008 533 3HD1 ILE 76 3HD1 ILE 76 -13.838 -2.581 6.725 534 H HIS 77 H HIS 77 -10.254 -5.003 7.493 535 HA HIS 77 HA HIS 77 -7.648 -5.070 8.270 536 2HB HIS 77 2HB HIS 77 -9.232 -7.583 7.749 537 HD1 HIS 77 1HD HIS 77 -9.184 -8.254 10.841 538 HD2 HIS 77 2HD HIS 77 -5.870 -7.086 8.549 539 HE1 HIS 77 1HE HIS 77 -7.124 -9.127 12.067 540 H VAL 78 H VAL 78 -5.994 -4.739 6.817 541 HA VAL 78 HA VAL 78 -5.757 -6.782 4.727 542 HB VAL 78 HB VAL 78 -5.091 -3.850 4.409 543 1HG1 VAL 78 1HG1 VAL 78 -4.996 -6.217 2.520 544 2HG1 VAL 78 2HG1 VAL 78 -4.948 -4.525 1.970 545 3HG1 VAL 78 3HG1 VAL 78 -3.658 -5.156 3.022 546 1HG2 VAL 78 1HG2 VAL 78 -7.161 -4.779 2.631 547 2HG2 VAL 78 2HG2 VAL 78 -7.636 -5.085 4.319 548 3HG2 VAL 78 3HG2 VAL 78 -7.197 -3.439 3.802 549 H ILE 79 H ILE 79 -3.624 -7.514 4.336 550 HA ILE 79 HA ILE 79 -1.705 -6.589 6.358 551 HB ILE 79 HB ILE 79 -0.892 -8.742 6.575 552 2HG1 ILE 79 2HG1 ILE 79 -0.442 -9.620 4.512 553 1HG2 ILE 79 1HG2 ILE 79 -3.318 -8.303 7.372 554 2HG2 ILE 79 2HG2 ILE 79 -3.776 -9.424 6.069 555 3HG2 ILE 79 3HG2 ILE 79 -2.692 -9.969 7.372 556 1HD1 ILE 79 1HD1 ILE 79 -1.872 -11.256 6.027 557 2HD1 ILE 79 2HD1 ILE 79 -3.107 -11.025 4.767 558 3HD1 ILE 79 3HD1 ILE 79 -1.516 -11.700 4.340 559 H HIS 80 H HIS 80 -1.857 -4.958 4.209 560 HA HIS 80 HA HIS 80 -0.035 -5.921 2.192 561 2HB HIS 80 2HB HIS 80 -1.581 -4.666 1.115 562 HD1 HIS 80 1HD HIS 80 -1.298 -3.208 4.595 563 HD2 HIS 80 2HD HIS 80 -3.781 -2.922 1.227 564 HE1 HIS 80 1HE HIS 80 -3.366 -1.912 5.340 565 H ASP 81 H ASP 81 2.103 -5.255 1.908 566 HA ASP 81 HA ASP 81 3.259 -4.105 4.264 567 2HB ASP 81 2HB ASP 81 5.429 -4.538 2.951 568 HD2 ASP 81 HD ASP 81 6.343 -6.939 3.482 569 H SER 82 H SER 82 5.006 -2.322 3.927 570 HA SER 82 HA SER 82 3.881 -0.115 2.791 571 2HB SER 82 2HB SER 82 6.810 0.026 2.779 572 HG SER 82 HG SER 82 5.115 1.742 3.263 573 H ILE 83 H ILE 83 5.805 -2.703 1.342 574 HA ILE 83 HA ILE 83 6.522 -1.210 -0.986 575 HB ILE 83 HB ILE 83 6.523 -4.200 -0.599 576 2HG1 ILE 83 2HG1 ILE 83 7.663 -3.222 1.304 577 1HG2 ILE 83 1HG2 ILE 83 8.687 -2.982 -2.130 578 2HG2 ILE 83 2HG2 ILE 83 7.604 -4.334 -2.542 579 3HG2 ILE 83 3HG2 ILE 83 7.083 -2.657 -2.831 580 1HD1 ILE 83 1HD1 ILE 83 8.894 -4.902 -0.656 581 2HD1 ILE 83 2HD1 ILE 83 10.143 -3.774 -0.078 582 3HD1 ILE 83 3HD1 ILE 83 9.267 -4.801 1.082 583 H THR 84 H THR 84 3.858 -3.354 0.049 584 HA THR 84 HA THR 84 2.760 -3.484 -2.614 585 HB THR 84 HB THR 84 2.159 -4.567 0.141 586 HG1 THR 84 1HG THR 84 3.404 -5.748 -1.460 587 1HG2 THR 84 1HG2 THR 84 -0.110 -4.355 -0.217 588 2HG2 THR 84 2HG2 THR 84 0.119 -3.884 -1.918 589 3HG2 THR 84 3HG2 THR 84 0.139 -5.604 -1.461 590 H LEU 85 H LEU 85 2.348 -1.526 0.333 591 HA LEU 85 HA LEU 85 -0.118 -0.422 -0.271 592 2HB LEU 85 2HB LEU 85 1.281 1.590 0.988 593 HG LEU 85 HG LEU 85 -0.783 0.733 1.903 594 1HD1 LEU 85 1HD1 LEU 85 -1.013 -1.502 1.667 595 2HD1 LEU 85 2HD1 LEU 85 0.711 -1.828 1.970 596 3HD1 LEU 85 3HD1 LEU 85 -0.388 -1.512 3.334 597 1HD2 LEU 85 1HD2 LEU 85 1.656 0.922 3.568 598 2HD2 LEU 85 2HD2 LEU 85 0.120 1.816 3.660 599 3HD2 LEU 85 3HD2 LEU 85 0.238 0.178 4.346 600 H ALA 86 H ALA 86 3.204 0.487 -1.336 601 HA ALA 86 HA ALA 86 2.457 2.834 -2.656 602 1HB ALA 86 1HB ALA 86 4.659 1.692 -4.008 603 2HB ALA 86 2HB ALA 86 4.704 2.876 -2.681 604 3HB ALA 86 3HB ALA 86 4.789 1.135 -2.324 605 H PHE 87 H PHE 87 2.583 -0.619 -3.676 606 HA PHE 87 HA PHE 87 1.975 -0.045 -6.380 607 2HB PHE 87 2HB PHE 87 1.251 -2.644 -4.991 608 HD1 PHE 87 1HD PHE 87 0.228 -3.332 -7.073 609 HD2 PHE 87 2HD PHE 87 4.282 -2.085 -6.968 610 HE1 PHE 87 1HE PHE 87 0.586 -4.305 -9.360 611 HE2 PHE 87 2HE PHE 87 4.641 -3.059 -9.254 612 HZ PHE 87 HZ PHE 87 2.790 -4.157 -10.423 613 H LEU 88 H LEU 88 0.026 -1.353 -3.603 614 HA LEU 88 HA LEU 88 -2.364 -1.524 -5.017 615 2HB LEU 88 2HB LEU 88 -3.239 -1.190 -2.523 616 HG LEU 88 HG LEU 88 -3.500 -3.339 -3.472 617 1HD1 LEU 88 1HD1 LEU 88 -1.314 -4.847 -3.523 618 2HD1 LEU 88 2HD1 LEU 88 -1.785 -3.813 -4.894 619 3HD1 LEU 88 3HD1 LEU 88 -0.532 -3.265 -3.754 620 1HD2 LEU 88 1HD2 LEU 88 -3.653 -4.035 -1.362 621 2HD2 LEU 88 2HD2 LEU 88 -2.012 -4.692 -1.567 622 3HD2 LEU 88 3HD2 LEU 88 -2.242 -3.077 -0.854 623 H ILE 89 H ILE 89 -0.752 1.192 -3.335 624 HA ILE 89 HA ILE 89 -3.025 2.896 -3.514 625 HB ILE 89 HB ILE 89 -0.118 3.305 -2.852 626 2HG1 ILE 89 2HG1 ILE 89 -1.753 2.120 -1.275 627 1HG2 ILE 89 1HG2 ILE 89 -1.021 5.312 -4.023 628 2HG2 ILE 89 2HG2 ILE 89 -2.270 5.434 -2.761 629 3HG2 ILE 89 3HG2 ILE 89 -0.551 5.605 -2.333 630 1HD1 ILE 89 1HD1 ILE 89 -1.016 3.749 0.669 631 2HD1 ILE 89 2HD1 ILE 89 0.225 2.848 -0.234 632 3HD1 ILE 89 3HD1 ILE 89 -0.087 4.558 -0.616 633 H ARG 90 H ARG 90 0.025 2.438 -5.397 634 HA ARG 90 HA ARG 90 -0.068 4.484 -7.065 635 2HB ARG 90 2HB ARG 90 0.489 2.400 -8.840 636 2HG ARG 90 2HG ARG 90 2.440 3.290 -6.680 637 2HD ARG 90 2HD ARG 90 3.137 3.248 -9.583 638 HE ARG 90 HE ARG 90 4.476 2.688 -7.008 639 1HH1 ARG 90 2HH2 ARG 90 4.738 2.681 -10.542 640 2HH1 ARG 90 1HH2 ARG 90 6.470 2.672 -10.537 641 2HH2 ARG 90 1HH ARG 90 7.638 2.669 -8.445 642 H GLU 91 H GLU 91 -2.142 1.538 -7.199 643 HA GLU 91 HA GLU 91 -3.298 2.113 -9.661 644 2HB GLU 91 2HB GLU 91 -5.212 0.681 -8.165 645 2HG GLU 91 2HG GLU 91 -4.008 -1.332 -9.255 646 HE2 GLU 91 HE GLU 91 -5.597 1.638 -11.325 647 H LYS 92 H LYS 92 -4.142 3.011 -6.281 648 HA LYS 92 HA LYS 92 -6.503 4.411 -7.216 649 2HB LYS 92 2HB LYS 92 -6.836 4.845 -4.776 650 2HG LYS 92 2HG LYS 92 -7.290 2.534 -6.217 651 2HD LYS 92 2HD LYS 92 -5.272 1.958 -4.116 652 2HE LYS 92 2HE LYS 92 -7.215 -0.261 -4.361 653 1HZ LYS 92 1HZ LYS 92 -5.977 -0.739 -2.564 654 2HZ LYS 92 2HZ LYS 92 -5.291 0.737 -2.535 655 H ALA 93 H ALA 93 -3.261 4.995 -7.337 656 HA ALA 93 HA ALA 93 -3.579 7.729 -7.792 657 1HB ALA 93 1HB ALA 93 -3.738 7.430 -5.160 658 2HB ALA 93 2HB ALA 93 -1.966 7.315 -5.287 659 3HB ALA 93 3HB ALA 93 -2.807 8.772 -5.868 660 H SER 94 H SER 94 -2.504 6.793 -9.680 661 HA SER 94 HA SER 94 0.075 5.672 -9.307 662 2HB SER 94 2HB SER 94 -1.256 4.896 -11.173 663 HG SER 94 HG SER 94 -1.256 6.934 -12.902 664 H HIS 95 H HIS 95 -1.027 8.762 -8.910 665 HA HIS 95 HA HIS 95 1.136 10.061 -10.333 666 2HB HIS 95 2HB HIS 95 -0.053 12.093 -9.095 667 HD1 HIS 95 1HD HIS 95 -1.027 9.548 -11.770 668 HD2 HIS 95 2HD HIS 95 -1.065 13.689 -11.108 669 HE1 HIS 95 1HE HIS 95 -1.712 10.620 -13.983 670 H ARG 96 H ARG 96 -0.162 10.713 -7.023 671 HA ARG 96 HA ARG 96 2.599 10.813 -6.158 672 2HB ARG 96 2HB ARG 96 1.842 12.216 -4.347 673 2HG ARG 96 2HG ARG 96 -0.228 13.135 -6.295 674 2HD ARG 96 2HD ARG 96 2.237 14.334 -4.955 675 HE ARG 96 HE ARG 96 0.991 15.258 -7.353 676 1HH1 ARG 96 2HH2 ARG 96 1.956 16.500 -4.178 677 2HH1 ARG 96 1HH2 ARG 96 2.178 18.123 -4.742 678 2HH2 ARG 96 1HH ARG 96 1.776 18.628 -7.050 679 H ILE 97 H ILE 97 3.344 8.904 -5.279 680 HA ILE 97 HA ILE 97 1.445 7.397 -3.617 681 HB ILE 97 HB ILE 97 3.785 6.155 -5.024 682 2HG1 ILE 97 2HG1 ILE 97 1.486 7.338 -6.316 683 1HG2 ILE 97 1HG2 ILE 97 1.767 4.327 -4.956 684 2HG2 ILE 97 2HG2 ILE 97 3.034 4.492 -3.717 685 3HG2 ILE 97 3HG2 ILE 97 1.445 5.257 -3.473 686 1HD1 ILE 97 1HD1 ILE 97 2.772 6.914 -8.287 687 2HD1 ILE 97 2HD1 ILE 97 3.975 7.231 -7.014 688 3HD1 ILE 97 3HD1 ILE 97 3.638 5.559 -7.524 689 H VAL 98 H VAL 98 2.763 5.909 -2.006 690 HA VAL 98 HA VAL 98 4.588 7.734 -0.652 691 HB VAL 98 HB VAL 98 2.743 7.004 0.657 692 1HG1 VAL 98 1HG1 VAL 98 1.755 5.108 -0.081 693 2HG1 VAL 98 2HG1 VAL 98 3.291 4.386 -0.613 694 3HG1 VAL 98 3HG1 VAL 98 2.823 4.319 1.103 695 1HG2 VAL 98 1HG2 VAL 98 4.907 5.182 1.673 696 2HG2 VAL 98 2HG2 VAL 98 5.200 6.935 1.578 697 3HG2 VAL 98 3HG2 VAL 98 3.857 6.309 2.564 698 H HIS 99 H HIS 99 6.753 7.435 -0.737 699 HA HIS 99 HA HIS 99 7.713 5.038 -2.009 700 2HB HIS 99 2HB HIS 99 8.767 6.940 -2.826 701 HD1 HIS 99 1HD HIS 99 7.674 9.218 -2.190 702 HD2 HIS 99 2HD HIS 99 10.440 7.789 0.623 703 HE1 HIS 99 1HE HIS 99 8.155 11.161 -0.608 704 H ARG 100 H ARG 100 9.950 4.203 -0.949 705 HA ARG 100 HA ARG 100 9.606 4.085 1.914 706 2HB ARG 100 2HB ARG 100 8.535 2.047 1.531 707 2HG ARG 100 2HG ARG 100 9.815 0.606 -0.486 708 2HD ARG 100 2HD ARG 100 7.318 2.290 -0.315 709 HE ARG 100 HE ARG 100 7.343 2.535 -2.632 710 1HH1 ARG 100 2HH2 ARG 100 8.914 -0.538 -1.829 711 2HH1 ARG 100 1HH2 ARG 100 9.120 -1.008 -3.483 712 2HH2 ARG 100 1HH ARG 100 8.348 0.450 -5.222 713 H VAL 101 H VAL 101 11.574 5.069 2.421 714 HA VAL 101 HA VAL 101 13.948 4.020 1.053 715 HB VAL 101 HB VAL 101 13.769 6.328 0.681 716 1HG1 VAL 101 1HG1 VAL 101 13.642 7.840 2.884 717 2HG1 VAL 101 2HG1 VAL 101 12.186 7.268 2.035 718 3HG1 VAL 101 3HG1 VAL 101 12.759 6.418 3.490 719 1HG2 VAL 101 1HG2 VAL 101 15.667 7.304 1.971 720 2HG2 VAL 101 2HG2 VAL 101 15.633 5.878 3.034 721 3HG2 VAL 101 3HG2 VAL 101 16.017 5.691 1.306 722 H VAL 102 H VAL 102 15.812 3.438 2.322 723 HA VAL 102 HA VAL 102 15.169 2.992 5.154 724 HB VAL 102 HB VAL 102 14.987 0.932 3.827 725 1HG1 VAL 102 1HG1 VAL 102 16.884 1.805 2.211 726 2HG1 VAL 102 2HG1 VAL 102 17.948 0.929 3.339 727 3HG1 VAL 102 3HG1 VAL 102 16.649 0.061 2.486 728 1HG2 VAL 102 1HG2 VAL 102 17.488 0.468 5.370 729 2HG2 VAL 102 2HG2 VAL 102 16.139 1.232 6.246 730 3HG2 VAL 102 3HG2 VAL 102 15.910 -0.350 5.462 731 H LYS 103 H LYS 103 16.246 4.960 5.728 732 HA LYS 103 HA LYS 103 18.940 4.663 6.297 733 2HB LYS 103 2HB LYS 103 18.749 6.754 4.171 734 2HG LYS 103 2HG LYS 103 20.772 6.077 5.759 735 2HD LYS 103 2HD LYS 103 20.391 3.689 4.140 736 2HE LYS 103 2HE LYS 103 22.885 5.337 3.648 737 1HZ LYS 103 1HZ LYS 103 24.193 3.536 3.829 738 2HZ LYS 103 2HZ LYS 103 22.979 2.713 4.538 739 H SER 104 H SER 104 16.177 6.819 5.558 740 HA SER 104 HA SER 104 16.844 8.219 8.018 741 2HB SER 104 2HB SER 104 15.544 10.076 6.266 742 HG SER 104 HG SER 104 17.054 10.714 7.876 743 H ASP 105 H ASP 105 14.740 9.753 8.529 744 HA ASP 105 HA ASP 105 12.520 7.895 8.333 745 2HB ASP 105 2HB ASP 105 12.848 10.330 10.148 746 HD2 ASP 105 HD ASP 105 10.651 10.648 9.940 747 H PHE 106 H PHE 106 10.569 8.566 7.319 748 HA PHE 106 HA PHE 106 10.220 11.376 6.723 749 2HB PHE 106 2HB PHE 106 9.698 9.623 4.390 750 HD1 PHE 106 1HD PHE 106 8.944 12.338 4.655 751 HD2 PHE 106 2HD PHE 106 12.735 10.780 3.556 752 HE1 PHE 106 1HE PHE 106 9.465 14.467 3.431 753 HE2 PHE 106 2HE PHE 106 13.256 12.909 2.333 754 HZ PHE 106 HZ PHE 106 11.614 14.727 2.285 755 H GLU 107 H GLU 107 8.057 11.956 6.672 756 HA GLU 107 HA GLU 107 6.225 9.733 7.061 757 2HB GLU 107 2HB GLU 107 4.700 11.485 8.033 758 2HG GLU 107 2HG GLU 107 7.353 11.848 9.417 759 HE2 GLU 107 HE GLU 107 5.434 12.473 12.087 760 H ILE 108 H ILE 108 4.216 9.631 5.878 761 HA ILE 108 HA ILE 108 3.966 11.531 3.678 762 HB ILE 108 HB ILE 108 3.572 8.655 3.039 763 2HG1 ILE 108 2HG1 ILE 108 6.256 9.934 3.513 764 1HG2 ILE 108 1HG2 ILE 108 4.862 10.767 1.329 765 2HG2 ILE 108 2HG2 ILE 108 3.937 9.325 0.847 766 3HG2 ILE 108 3HG2 ILE 108 3.097 10.725 1.557 767 1HD1 ILE 108 1HD1 ILE 108 6.601 8.133 4.890 768 2HD1 ILE 108 2HD1 ILE 108 4.823 8.055 4.913 769 3HD1 ILE 108 3HD1 ILE 108 5.745 7.015 3.801 770 H GLY 109 H GLY 109 1.818 11.906 3.032 771 1HA GLY 109 1HA GLY 109 -0.287 10.288 4.237 772 2HA GLY 109 2HA GLY 109 -0.180 11.953 4.771 773 H VAL 110 H VAL 110 -2.466 10.985 3.413 774 HA VAL 110 HA VAL 110 -2.450 12.777 1.159 775 HB VAL 110 HB VAL 110 -1.991 10.015 0.770 776 1HG1 VAL 110 1HG1 VAL 110 -4.479 9.785 1.081 777 2HG1 VAL 110 2HG1 VAL 110 -4.693 10.818 -0.353 778 3HG1 VAL 110 3HG1 VAL 110 -3.872 9.245 -0.503 779 1HG2 VAL 110 1HG2 VAL 110 -1.279 12.070 -0.576 780 2HG2 VAL 110 2HG2 VAL 110 -1.741 10.621 -1.502 781 3HG2 VAL 110 3HG2 VAL 110 -2.880 11.982 -1.351 782 H THR 111 H THR 111 -4.730 13.076 0.316 783 HA THR 111 HA THR 111 -6.633 12.562 2.507 784 HB THR 111 HB THR 111 -7.667 14.714 1.809 785 HG1 THR 111 1HG THR 111 -6.925 15.617 -0.115 786 1HG2 THR 111 1HG2 THR 111 -5.144 15.985 1.745 787 2HG2 THR 111 2HG2 THR 111 -6.120 15.673 3.202 788 3HG2 THR 111 3HG2 THR 111 -4.867 14.510 2.704 789 H ARG 112 H ARG 112 -5.890 12.202 -0.911 790 HA ARG 112 HA ARG 112 -8.276 10.608 -1.107 791 2HB ARG 112 2HB ARG 112 -9.385 11.947 -2.585 792 2HG ARG 112 2HG ARG 112 -7.110 13.820 -1.817 793 2HD ARG 112 2HD ARG 112 -8.200 14.319 -4.139 794 HE ARG 112 HE ARG 112 -10.582 14.142 -2.609 795 1HH1 ARG 112 2HH2 ARG 112 -9.071 16.414 -4.870 796 2HH1 ARG 112 1HH2 ARG 112 -10.581 17.051 -5.431 797 2HH2 ARG 112 1HH ARG 112 -12.627 16.196 -4.523 798 H ASP 113 H ASP 113 -5.412 11.984 -2.877 799 HA ASP 113 HA ASP 113 -4.016 9.741 -3.162 800 2HB ASP 113 2HB ASP 113 -5.336 8.395 -4.465 801 HD2 ASP 113 HD ASP 113 -7.744 8.551 -4.275 802 H GLY 114 H GLY 114 -5.351 12.703 -4.572 803 1HA GLY 114 1HA GLY 114 -3.245 13.159 -6.466 804 2HA GLY 114 2HA GLY 114 -4.501 14.276 -5.966 805 H GLU 115 H GLU 115 -4.273 15.231 -3.675 806 HA GLU 115 HA GLU 115 -1.610 16.203 -3.470 807 2HB GLU 115 2HB GLU 115 -3.211 17.867 -3.058 808 2HG GLU 115 2HG GLU 115 -4.928 17.192 -1.024 809 HE2 GLU 115 HE GLU 115 -5.301 18.872 -3.602 810 H ILE 116 H ILE 116 -0.063 15.755 -1.879 811 HA ILE 116 HA ILE 116 -0.873 13.847 0.191 812 HB ILE 116 HB ILE 116 0.727 12.331 -0.300 813 2HG1 ILE 116 2HG1 ILE 116 2.829 12.810 -1.533 814 1HG2 ILE 116 1HG2 ILE 116 0.425 11.683 -2.464 815 2HG2 ILE 116 2HG2 ILE 116 -0.843 12.927 -2.356 816 3HG2 ILE 116 3HG2 ILE 116 0.719 13.312 -3.118 817 1HD1 ILE 116 1HD1 ILE 116 2.409 15.749 -1.155 818 2HD1 ILE 116 2HD1 ILE 116 3.358 14.884 -2.389 819 3HD1 ILE 116 3HD1 ILE 116 1.590 15.004 -2.549 820 H ILE 117 H ILE 117 1.028 13.698 1.894 821 HA ILE 117 HA ILE 117 2.240 16.347 2.177 822 HB ILE 117 HB ILE 117 1.665 16.128 4.656 823 2HG1 ILE 117 2HG1 ILE 117 0.564 13.698 3.820 824 1HG2 ILE 117 1HG2 ILE 117 0.195 17.188 2.407 825 2HG2 ILE 117 2HG2 ILE 117 -0.912 16.740 3.727 826 3HG2 ILE 117 3HG2 ILE 117 0.432 17.866 4.036 827 1HD1 ILE 117 1HD1 ILE 117 0.331 13.363 6.093 828 2HD1 ILE 117 2HD1 ILE 117 1.345 14.825 6.159 829 3HD1 ILE 117 3HD1 ILE 117 -0.419 14.957 6.356 830 H VAL 118 H VAL 118 4.242 16.362 3.315 831 HA VAL 118 HA VAL 118 5.256 13.723 4.060 832 HB VAL 118 HB VAL 118 7.453 14.733 2.936 833 1HG1 VAL 118 1HG1 VAL 118 6.307 12.525 2.523 834 2HG1 VAL 118 2HG1 VAL 118 5.337 13.337 1.271 835 3HG1 VAL 118 3HG1 VAL 118 7.105 13.236 1.099 836 1HG2 VAL 118 1HG2 VAL 118 6.929 15.803 0.787 837 2HG2 VAL 118 2HG2 VAL 118 5.201 15.832 1.217 838 3HG2 VAL 118 3HG2 VAL 118 6.369 16.792 2.157 839 H ASP 119 H ASP 119 7.063 13.826 5.583 840 HA ASP 119 HA ASP 119 7.989 16.275 6.528 841 2HB ASP 119 2HB ASP 119 6.228 14.890 8.568 842 HD2 ASP 119 HD ASP 119 5.234 17.856 8.452 843 H LEU 120 H LEU 120 10.011 15.687 7.337 844 HA LEU 120 HA LEU 120 10.480 12.907 7.929 845 2HB LEU 120 2HB LEU 120 12.835 13.666 8.147 846 HG LEU 120 HG LEU 120 11.477 13.344 5.799 847 1HD1 LEU 120 1HD1 LEU 120 11.034 15.338 4.900 848 2HD1 LEU 120 2HD1 LEU 120 12.104 16.193 6.036 849 3HD1 LEU 120 3HD1 LEU 120 12.780 15.439 4.572 850 1HD2 LEU 120 1HD2 LEU 120 13.666 13.216 4.733 851 2HD2 LEU 120 2HD2 LEU 120 14.400 14.091 6.099 852 3HD2 LEU 120 3HD2 LEU 120 13.701 12.473 6.350 853 H ASN 121 H ASN 121 8.626 13.675 9.730 854 HA ASN 121 HA ASN 121 8.172 13.790 11.846 855 2HB ASN 121 2HB ASN 121 9.937 11.896 11.887 856 1HD2 ASN 121 1HD2 ASN 121 11.966 11.602 11.409 857 2HD2 ASN 121 2HD2 ASN 121 13.320 12.552 11.922 858 H SER 122 H SER 122 8.193 15.370 13.586 859 HA SER 122 HA SER 122 9.731 17.693 12.957 860 2HB SER 122 2HB SER 122 8.150 17.698 15.465 861 HG SER 122 HG SER 122 7.090 19.369 13.739 Start of MODEL 6 1 H MET 1 H MET 1 13.336 -0.818 -16.970 2 HA MET 1 HA MET 1 12.328 1.327 -16.404 3 2HB MET 1 2HB MET 1 10.065 0.773 -15.001 4 2HG MET 1 2HG MET 1 9.760 0.794 -18.012 5 1HE MET 1 1HE MET 1 7.340 4.074 -17.176 6 2HE MET 1 2HE MET 1 8.984 4.193 -16.505 7 3HE MET 1 3HE MET 1 8.744 3.635 -18.179 8 H ARG 2 H ARG 2 10.897 -1.155 -14.216 9 HA ARG 2 HA ARG 2 13.191 -1.382 -12.640 10 2HB ARG 2 2HB ARG 2 11.095 0.009 -11.016 11 2HG ARG 2 2HG ARG 2 13.610 -0.802 -10.473 12 2HD ARG 2 2HD ARG 2 14.902 1.529 -10.458 13 HE ARG 2 HE ARG 2 15.097 0.413 -13.130 14 1HH1 ARG 2 2HH2 ARG 2 15.690 -0.336 -9.718 15 2HH1 ARG 2 1HH2 ARG 2 16.917 -1.510 -10.060 16 2HH2 ARG 2 1HH ARG 2 17.504 -1.964 -12.339 17 H GLU 3 H GLU 3 12.967 -3.355 -11.604 18 HA GLU 3 HA GLU 3 10.313 -4.476 -11.572 19 2HB GLU 3 2HB GLU 3 11.961 -6.462 -10.620 20 2HG GLU 3 2HG GLU 3 12.210 -6.248 -13.530 21 HE2 GLU 3 HE GLU 3 10.189 -9.093 -11.509 22 H ARG 4 H ARG 4 9.083 -4.716 -9.736 23 HA ARG 4 HA ARG 4 10.070 -5.262 -7.264 24 2HB ARG 4 2HB ARG 4 9.182 -2.396 -7.101 25 2HG ARG 4 2HG ARG 4 10.156 -4.209 -5.285 26 2HD ARG 4 2HD ARG 4 12.532 -2.533 -5.234 27 HE ARG 4 HE ARG 4 12.762 -4.612 -4.118 28 1HH1 ARG 4 2HH2 ARG 4 12.074 -5.127 -7.554 29 2HH1 ARG 4 1HH2 ARG 4 12.472 -6.812 -7.510 30 2HH2 ARG 4 1HH ARG 4 13.183 -7.795 -5.443 31 H GLY 5 H GLY 5 8.283 -4.809 -5.487 32 1HA GLY 5 1HA GLY 5 5.886 -3.977 -5.450 33 2HA GLY 5 2HA GLY 5 5.658 -5.050 -6.817 34 H TRP 6 H TRP 6 4.223 -6.513 -5.827 35 HA TRP 6 HA TRP 6 5.182 -7.819 -3.391 36 2HB TRP 6 2HB TRP 6 3.062 -7.376 -2.849 37 HD1 TRP 6 HD TRP 6 2.208 -5.054 -3.929 38 HE1 TRP 6 1HE TRP 6 0.599 -4.377 -5.907 39 HE3 TRP 6 3HE TRP 6 2.072 -9.655 -6.087 40 HZ2 TRP 6 2HZ TRP 6 -0.525 -5.811 -8.105 41 HZ3 TRP 6 3HZ TRP 6 0.695 -9.932 -8.146 42 HH2 TRP 6 HH TRP 6 -0.576 -8.104 -9.155 43 H SER 7 H SER 7 6.771 -8.421 -5.547 44 HA SER 7 HA SER 7 5.682 -10.688 -6.902 45 2HB SER 7 2HB SER 7 7.143 -9.331 -8.215 46 HG SER 7 HG SER 7 9.331 -9.731 -6.395 47 H GLN 8 H GLN 8 8.175 -9.962 -4.386 48 HA GLN 8 HA GLN 8 7.720 -12.239 -2.962 49 2HB GLN 8 2HB GLN 8 10.357 -12.805 -4.191 50 2HG GLN 8 2HG GLN 8 7.883 -14.332 -3.327 51 1HE2 GLN 8 1HE2 GLN 8 7.693 -16.496 -3.737 52 2HE2 GLN 8 2HE2 GLN 8 8.514 -17.315 -5.023 53 H LYS 9 H LYS 9 7.926 -9.966 -1.848 54 HA LYS 9 HA LYS 9 10.642 -9.134 -1.391 55 2HB LYS 9 2HB LYS 9 8.345 -8.076 0.200 56 2HG LYS 9 2HG LYS 9 10.804 -7.239 0.223 57 2HD LYS 9 2HD LYS 9 10.106 -5.599 -2.180 58 2HE LYS 9 2HE LYS 9 12.707 -6.479 -2.431 59 1HZ LYS 9 1HZ LYS 9 12.565 -4.322 -0.586 60 2HZ LYS 9 2HZ LYS 9 12.995 -4.280 -2.156 61 H LYS 10 H LYS 10 8.006 -9.839 0.995 62 HA LYS 10 HA LYS 10 9.581 -11.883 2.230 63 2HB LYS 10 2HB LYS 10 9.145 -9.339 3.816 64 2HG LYS 10 2HG LYS 10 10.991 -11.699 4.360 65 2HD LYS 10 2HD LYS 10 10.083 -10.493 6.739 66 2HE LYS 10 2HE LYS 10 12.574 -9.296 6.048 67 1HZ LYS 10 1HZ LYS 10 13.356 -11.284 7.425 68 2HZ LYS 10 2HZ LYS 10 12.281 -10.297 8.150 69 H ILE 11 H ILE 11 7.214 -9.502 3.583 70 HA ILE 11 HA ILE 11 5.576 -11.575 4.561 71 HB ILE 11 HB ILE 11 4.925 -8.653 4.164 72 2HG1 ILE 11 2HG1 ILE 11 6.994 -8.786 5.378 73 1HG2 ILE 11 1HG2 ILE 11 3.715 -10.831 5.876 74 2HG2 ILE 11 2HG2 ILE 11 3.457 -9.096 6.180 75 3HG2 ILE 11 3HG2 ILE 11 2.924 -9.818 4.644 76 1HD1 ILE 11 1HD1 ILE 11 5.127 -8.626 7.707 77 2HD1 ILE 11 2HD1 ILE 11 6.355 -7.464 7.151 78 3HD1 ILE 11 3HD1 ILE 11 4.771 -7.540 6.343 79 H ALA 12 H ALA 12 6.126 -10.514 1.410 80 HA ALA 12 HA ALA 12 3.797 -10.189 0.148 81 1HB ALA 12 1HB ALA 12 5.629 -10.224 -1.260 82 2HB ALA 12 2HB ALA 12 6.322 -11.678 -0.500 83 3HB ALA 12 3HB ALA 12 4.945 -11.829 -1.618 84 H ARG 13 H ARG 13 5.016 -13.233 1.607 85 HA ARG 13 HA ARG 13 3.199 -14.936 0.490 86 2HB ARG 13 2HB ARG 13 5.079 -15.783 1.785 87 2HG ARG 13 2HG ARG 13 3.800 -14.804 4.353 88 2HD ARG 13 2HD ARG 13 5.772 -16.567 4.079 89 HE ARG 13 HE ARG 13 7.004 -14.251 2.953 90 1HH1 ARG 13 2HH2 ARG 13 7.700 -16.755 5.360 91 2HH1 ARG 13 1HH2 ARG 13 9.416 -16.659 5.146 92 2HH2 ARG 13 1HH ARG 13 10.316 -15.104 3.560 93 H GLU 14 H GLU 14 3.025 -13.146 3.655 94 HA GLU 14 HA GLU 14 0.521 -14.066 4.350 95 2HB GLU 14 2HB GLU 14 1.084 -11.309 5.231 96 2HG GLU 14 2HG GLU 14 0.770 -14.047 6.520 97 HE2 GLU 14 HE GLU 14 2.951 -12.515 8.889 98 H LEU 15 H LEU 15 1.565 -11.532 2.102 99 HA LEU 15 HA LEU 15 -0.930 -10.191 1.994 100 2HB LEU 15 2HB LEU 15 0.175 -9.440 -0.273 101 HG LEU 15 HG LEU 15 0.046 -8.129 1.966 102 1HD1 LEU 15 1HD1 LEU 15 1.550 -9.024 3.429 103 2HD1 LEU 15 2HD1 LEU 15 2.727 -9.428 2.157 104 3HD1 LEU 15 3HD1 LEU 15 2.558 -7.746 2.710 105 1HD2 LEU 15 1HD2 LEU 15 2.421 -7.190 0.471 106 2HD2 LEU 15 2HD2 LEU 15 0.963 -7.507 -0.500 107 3HD2 LEU 15 3HD2 LEU 15 0.896 -6.359 0.859 108 H LYS 16 H LYS 16 0.692 -12.693 -0.065 109 HA LYS 16 HA LYS 16 -1.304 -12.908 -1.957 110 2HB LYS 16 2HB LYS 16 0.974 -14.543 -1.015 111 2HG LYS 16 2HG LYS 16 -1.304 -15.733 -2.669 112 2HD LYS 16 2HD LYS 16 1.149 -17.240 -1.759 113 2HE LYS 16 2HE LYS 16 -0.780 -17.410 -4.120 114 1HZ LYS 16 1HZ LYS 16 1.862 -18.229 -4.071 115 2HZ LYS 16 2HZ LYS 16 1.011 -19.594 -3.811 116 H THR 17 H THR 17 -1.070 -14.211 1.357 117 HA THR 17 HA THR 17 -3.375 -15.901 1.010 118 HB THR 17 HB THR 17 -1.603 -15.065 3.357 119 HG1 THR 17 1HG THR 17 -0.711 -17.068 2.815 120 1HG2 THR 17 1HG2 THR 17 -3.338 -17.478 3.584 121 2HG2 THR 17 2HG2 THR 17 -2.901 -16.282 4.827 122 3HG2 THR 17 3HG2 THR 17 -4.219 -15.934 3.681 123 H THR 18 H THR 18 -2.710 -12.567 1.961 124 HA THR 18 HA THR 18 -5.159 -12.173 3.341 125 HB THR 18 HB THR 18 -2.815 -10.838 3.211 126 HG1 THR 18 1HG THR 18 -4.327 -8.956 3.868 127 1HG2 THR 18 1HG2 THR 18 -4.439 -8.820 1.762 128 2HG2 THR 18 2HG2 THR 18 -2.697 -9.165 1.637 129 3HG2 THR 18 3HG2 THR 18 -3.866 -10.143 0.718 130 H ARG 19 H ARG 19 -6.352 -9.948 2.263 131 HA ARG 19 HA ARG 19 -7.564 -9.175 0.599 132 2HB ARG 19 2HB ARG 19 -5.805 -10.679 -0.909 133 2HG ARG 19 2HG ARG 19 -8.623 -11.679 -1.539 134 2HD ARG 19 2HD ARG 19 -6.052 -11.637 -3.033 135 HE ARG 19 HE ARG 19 -7.385 -14.226 -2.458 136 1HH1 ARG 19 2HH2 ARG 19 -5.065 -12.431 -4.447 137 2HH1 ARG 19 1HH2 ARG 19 -4.280 -13.856 -5.038 138 2HH2 ARG 19 1HH ARG 19 -5.052 -16.007 -4.314 139 H GLN 20 H GLN 20 -9.774 -9.303 0.882 140 HA GLN 20 HA GLN 20 -10.902 -11.987 1.000 141 2HB GLN 20 2HB GLN 20 -12.292 -9.955 2.647 142 2HG GLN 20 2HG GLN 20 -11.659 -12.050 4.288 143 1HE2 GLN 20 1HE2 GLN 20 -13.545 -12.260 5.194 144 2HE2 GLN 20 2HE2 GLN 20 -15.092 -12.319 4.416 145 H ASN 21 H ASN 21 -10.957 -10.964 -1.422 146 HA ASN 21 HA ASN 21 -12.338 -10.538 -3.053 147 2HB ASN 21 2HB ASN 21 -14.745 -9.626 -1.614 148 1HD2 ASN 21 1HD2 ASN 21 -16.540 -11.191 -2.107 149 2HD2 ASN 21 2HD2 ASN 21 -16.532 -11.966 -3.657 150 H VAL 22 H VAL 22 -10.834 -8.508 -1.254 151 HA VAL 22 HA VAL 22 -12.407 -6.101 -1.699 152 HB VAL 22 HB VAL 22 -11.158 -6.730 0.457 153 1HG1 VAL 22 1HG1 VAL 22 -8.935 -6.936 0.460 154 2HG1 VAL 22 2HG1 VAL 22 -8.978 -6.842 -1.317 155 3HG1 VAL 22 3HG1 VAL 22 -8.733 -5.365 -0.353 156 1HG2 VAL 22 1HG2 VAL 22 -11.586 -4.196 -0.880 157 2HG2 VAL 22 2HG2 VAL 22 -11.749 -4.613 0.843 158 3HG2 VAL 22 3HG2 VAL 22 -10.169 -4.109 0.195 159 H SER 23 H SER 23 -9.721 -4.596 -1.846 160 HA SER 23 HA SER 23 -9.716 -4.106 -4.496 161 2HB SER 23 2HB SER 23 -8.554 -2.577 -3.119 162 HG SER 23 HG SER 23 -7.018 -3.123 -1.618 163 H ALA 24 H ALA 24 -7.274 -6.168 -2.737 164 HA ALA 24 HA ALA 24 -5.763 -7.600 -3.585 165 1HB ALA 24 1HB ALA 24 -8.115 -8.853 -5.008 166 2HB ALA 24 2HB ALA 24 -6.804 -9.637 -4.095 167 3HB ALA 24 3HB ALA 24 -8.085 -8.754 -3.231 168 H ILE 25 H ILE 25 -5.304 -5.429 -5.034 169 HA ILE 25 HA ILE 25 -5.904 -5.417 -7.711 170 HB ILE 25 HB ILE 25 -3.499 -4.448 -6.178 171 2HG1 ILE 25 2HG1 ILE 25 -5.763 -3.464 -5.705 172 1HG2 ILE 25 1HG2 ILE 25 -3.010 -4.937 -8.626 173 2HG2 ILE 25 2HG2 ILE 25 -4.170 -3.643 -9.009 174 3HG2 ILE 25 3HG2 ILE 25 -2.709 -3.277 -8.062 175 1HD1 ILE 25 1HD1 ILE 25 -4.974 -1.051 -6.181 176 2HD1 ILE 25 2HD1 ILE 25 -3.889 -2.063 -5.198 177 3HD1 ILE 25 3HD1 ILE 25 -3.534 -1.787 -6.921 178 H GLU 26 H GLU 26 -3.731 -7.512 -5.880 179 HA GLU 26 HA GLU 26 -2.249 -8.338 -8.132 180 2HB GLU 26 2HB GLU 26 -1.372 -8.503 -5.824 181 2HG GLU 26 2HG GLU 26 -3.357 -10.788 -5.445 182 HE2 GLU 26 HE GLU 26 -1.976 -8.535 -2.986 183 H ARG 27 H ARG 27 -4.978 -9.773 -6.217 184 HA ARG 27 HA ARG 27 -5.163 -12.077 -7.707 185 2HB ARG 27 2HB ARG 27 -7.590 -10.707 -6.484 186 2HG ARG 27 2HG ARG 27 -7.001 -13.495 -5.772 187 2HD ARG 27 2HD ARG 27 -9.306 -12.088 -7.203 188 HE ARG 27 HE ARG 27 -9.865 -14.317 -7.672 189 1HH1 ARG 27 2HH2 ARG 27 -8.592 -14.117 -4.371 190 2HH1 ARG 27 1HH2 ARG 27 -9.006 -15.752 -3.980 191 2HH2 ARG 27 1HH ARG 27 -10.076 -17.120 -5.632 192 H LYS 28 H LYS 28 -6.732 -8.842 -8.068 193 HA LYS 28 HA LYS 28 -8.445 -9.575 -10.164 194 2HB LYS 28 2HB LYS 28 -7.995 -6.884 -10.501 195 2HG LYS 28 2HG LYS 28 -10.064 -8.492 -9.703 196 2HD LYS 28 2HD LYS 28 -10.008 -6.617 -7.389 197 2HE LYS 28 2HE LYS 28 -10.789 -8.893 -6.314 198 1HZ LYS 28 1HZ LYS 28 -12.848 -8.383 -8.132 199 2HZ LYS 28 2HZ LYS 28 -12.732 -7.835 -6.603 200 H ALA 29 H ALA 29 -5.297 -7.750 -10.241 201 HA ALA 29 HA ALA 29 -5.007 -7.607 -12.941 202 1HB ALA 29 1HB ALA 29 -3.529 -6.505 -11.336 203 2HB ALA 29 2HB ALA 29 -2.896 -8.079 -10.798 204 3HB ALA 29 3HB ALA 29 -2.563 -7.504 -12.448 205 H MET 30 H MET 30 -4.177 -10.355 -10.746 206 HA MET 30 HA MET 30 -3.108 -11.899 -12.842 207 2HB MET 30 2HB MET 30 -3.781 -13.722 -10.886 208 2HG MET 30 2HG MET 30 -1.588 -13.164 -9.799 209 1HE MET 30 1HE MET 30 0.210 -14.091 -10.267 210 2HE MET 30 2HE MET 30 -0.118 -15.503 -11.299 211 3HE MET 30 3HE MET 30 1.065 -14.277 -11.817 212 H GLU 31 H GLU 31 -6.345 -11.169 -11.770 213 HA GLU 31 HA GLU 31 -7.463 -13.597 -12.752 214 2HB GLU 31 2HB GLU 31 -9.534 -11.706 -12.501 215 2HG GLU 31 2HG GLU 31 -9.063 -12.924 -9.950 216 HE2 GLU 31 HE GLU 31 -11.224 -15.302 -10.849 217 H ASN 32 H ASN 32 -5.885 -12.609 -14.783 218 HA ASN 32 HA ASN 32 -5.837 -11.890 -16.838 219 2HB ASN 32 2HB ASN 32 -8.197 -12.360 -18.091 220 1HD2 ASN 32 1HD2 ASN 32 -8.077 -14.123 -19.386 221 2HD2 ASN 32 2HD2 ASN 32 -6.822 -15.314 -19.316 222 H ILE 33 H ILE 33 -6.618 -9.877 -14.833 223 HA ILE 33 HA ILE 33 -8.824 -8.377 -15.441 224 HB ILE 33 HB ILE 33 -6.640 -8.206 -13.761 225 2HG1 ILE 33 2HG1 ILE 33 -8.780 -7.685 -12.963 226 1HG2 ILE 33 1HG2 ILE 33 -5.757 -5.948 -14.005 227 2HG2 ILE 33 2HG2 ILE 33 -5.389 -6.931 -15.443 228 3HG2 ILE 33 3HG2 ILE 33 -6.696 -5.724 -15.500 229 1HD1 ILE 33 1HD1 ILE 33 -8.531 -5.557 -11.898 230 2HD1 ILE 33 2HD1 ILE 33 -6.870 -6.145 -12.154 231 3HD1 ILE 33 3HD1 ILE 33 -7.556 -4.914 -13.241 232 H GLU 34 H GLU 34 -9.488 -7.184 -17.152 233 HA GLU 34 HA GLU 34 -7.789 -5.646 -18.680 234 2HB GLU 34 2HB GLU 34 -8.516 -8.311 -19.973 235 2HG GLU 34 2HG GLU 34 -7.619 -5.661 -21.096 236 HE2 GLU 34 HE GLU 34 -5.555 -5.821 -22.453 237 H LYS 35 H LYS 35 -10.774 -7.614 -18.461 238 HA LYS 35 HA LYS 35 -12.196 -5.367 -19.709 239 2HB LYS 35 2HB LYS 35 -13.374 -8.085 -19.928 240 2HG LYS 35 2HG LYS 35 -13.228 -5.506 -21.491 241 2HD LYS 35 2HD LYS 35 -14.576 -7.704 -22.917 242 2HE LYS 35 2HE LYS 35 -13.565 -5.193 -23.524 243 1HZ LYS 35 1HZ LYS 35 -11.675 -5.468 -24.858 244 2HZ LYS 35 2HZ LYS 35 -11.309 -6.409 -23.581 245 H SER 36 H SER 36 -11.579 -5.411 -16.975 246 HA SER 36 HA SER 36 -14.259 -5.769 -15.941 247 2HB SER 36 2HB SER 36 -12.999 -6.561 -13.735 248 HG SER 36 HG SER 36 -14.480 -7.822 -15.290 249 H ARG 37 H ARG 37 -11.298 -5.168 -14.017 250 HA ARG 37 HA ARG 37 -10.708 -3.490 -12.779 251 2HB ARG 37 2HB ARG 37 -10.317 -1.361 -13.901 252 2HG ARG 37 2HG ARG 37 -10.246 -3.768 -15.760 253 2HD ARG 37 2HD ARG 37 -10.426 -1.727 -17.178 254 HE ARG 37 HE ARG 37 -9.101 -0.363 -15.210 255 1HH1 ARG 37 2HH2 ARG 37 -8.237 -1.043 -18.579 256 2HH1 ARG 37 1HH2 ARG 37 -7.295 0.400 -18.758 257 2HH2 ARG 37 1HH ARG 37 -7.086 1.904 -16.904 258 H ASN 38 H ASN 38 -11.665 -0.713 -12.665 259 HA ASN 38 HA ASN 38 -13.362 0.545 -12.042 260 2HB ASN 38 2HB ASN 38 -15.339 -1.712 -11.709 261 1HD2 ASN 38 1HD2 ASN 38 -17.378 -0.984 -11.785 262 2HD2 ASN 38 2HD2 ASN 38 -17.847 0.668 -12.015 263 H THR 39 H THR 39 -11.914 -2.071 -10.569 264 HA THR 39 HA THR 39 -13.393 -2.163 -8.112 265 HB THR 39 HB THR 39 -10.694 -3.254 -9.058 266 HG1 THR 39 1HG THR 39 -12.483 -4.322 -10.001 267 1HG2 THR 39 1HG2 THR 39 -11.794 -3.086 -6.358 268 2HG2 THR 39 2HG2 THR 39 -11.793 -4.779 -6.907 269 3HG2 THR 39 3HG2 THR 39 -10.276 -3.847 -6.891 270 H LEU 40 H LEU 40 -9.869 -1.658 -8.140 271 HA LEU 40 HA LEU 40 -9.782 -0.104 -5.936 272 2HB LEU 40 2HB LEU 40 -7.854 -1.090 -7.047 273 HG LEU 40 HG LEU 40 -6.663 0.011 -8.833 274 1HD1 LEU 40 1HD1 LEU 40 -7.985 -0.660 -10.706 275 2HD1 LEU 40 2HD1 LEU 40 -8.345 -1.769 -9.362 276 3HD1 LEU 40 3HD1 LEU 40 -9.495 -0.478 -9.783 277 1HD2 LEU 40 1HD2 LEU 40 -7.095 2.047 -9.660 278 2HD2 LEU 40 2HD2 LEU 40 -8.850 1.758 -9.736 279 3HD2 LEU 40 3HD2 LEU 40 -8.095 2.254 -8.202 280 H ASP 41 H ASP 41 -10.857 0.800 -9.177 281 HA ASP 41 HA ASP 41 -10.558 3.547 -8.877 282 2HB ASP 41 2HB ASP 41 -12.731 2.112 -10.469 283 HD2 ASP 41 HD ASP 41 -10.379 4.628 -10.603 284 H PHE 42 H PHE 42 -13.470 1.360 -8.597 285 HA PHE 42 HA PHE 42 -15.286 3.233 -7.770 286 2HB PHE 42 2HB PHE 42 -14.779 0.264 -7.303 287 HD1 PHE 42 1HD PHE 42 -17.917 2.247 -7.108 288 HD2 PHE 42 2HD PHE 42 -15.288 -0.436 -5.132 289 HE1 PHE 42 1HE PHE 42 -19.585 1.979 -5.252 290 HE2 PHE 42 2HE PHE 42 -16.957 -0.704 -3.276 291 HZ PHE 42 HZ PHE 42 -19.084 0.507 -3.358 292 H VAL 43 H VAL 43 -12.690 1.622 -5.932 293 HA VAL 43 HA VAL 43 -13.743 2.500 -3.404 294 HB VAL 43 HB VAL 43 -11.849 0.609 -4.379 295 1HG1 VAL 43 1HG1 VAL 43 -10.106 2.273 -3.969 296 2HG1 VAL 43 2HG1 VAL 43 -10.703 2.515 -2.310 297 3HG1 VAL 43 3HG1 VAL 43 -9.998 0.951 -2.783 298 1HG2 VAL 43 1HG2 VAL 43 -12.635 1.141 -1.500 299 2HG2 VAL 43 2HG2 VAL 43 -13.703 0.340 -2.677 300 3HG2 VAL 43 3HG2 VAL 43 -12.146 -0.403 -2.238 301 H LYS 44 H LYS 44 -11.572 3.664 -5.937 302 HA LYS 44 HA LYS 44 -10.153 5.499 -4.332 303 2HB LYS 44 2HB LYS 44 -9.683 4.522 -6.726 304 2HG LYS 44 2HG LYS 44 -11.860 6.242 -7.303 305 2HD LYS 44 2HD LYS 44 -10.420 7.668 -9.067 306 2HE LYS 44 2HE LYS 44 -11.838 8.267 -6.757 307 1HZ LYS 44 1HZ LYS 44 -10.060 8.508 -5.291 308 2HZ LYS 44 2HZ LYS 44 -9.024 9.068 -6.416 309 H SER 45 H SER 45 -13.286 5.552 -6.043 310 HA SER 45 HA SER 45 -13.684 8.261 -6.059 311 2HB SER 45 2HB SER 45 -15.726 6.027 -5.672 312 HG SER 45 HG SER 45 -16.995 7.778 -5.434 313 H LEU 46 H LEU 46 -14.270 5.805 -3.482 314 HA LEU 46 HA LEU 46 -15.740 7.113 -1.682 315 2HB LEU 46 2HB LEU 46 -13.547 6.006 -0.249 316 HG LEU 46 HG LEU 46 -16.084 4.562 -1.040 317 1HD1 LEU 46 1HD1 LEU 46 -14.837 4.211 1.626 318 2HD1 LEU 46 2HD1 LEU 46 -15.608 3.025 0.544 319 3HD1 LEU 46 3HD1 LEU 46 -13.937 3.554 0.237 320 1HD2 LEU 46 1HD2 LEU 46 -15.854 6.994 0.438 321 2HD2 LEU 46 2HD2 LEU 46 -17.302 6.015 0.104 322 3HD2 LEU 46 3HD2 LEU 46 -16.325 5.692 1.557 323 H LYS 47 H LYS 47 -12.190 7.618 -2.200 324 HA LYS 47 HA LYS 47 -10.896 9.357 -1.777 325 2HB LYS 47 2HB LYS 47 -13.549 10.796 -1.600 326 2HG LYS 47 2HG LYS 47 -11.234 12.495 -2.096 327 2HD LYS 47 2HD LYS 47 -13.796 12.669 -0.938 328 2HE LYS 47 2HE LYS 47 -12.643 14.020 1.208 329 1HZ LYS 47 1HZ LYS 47 -14.637 12.692 1.368 330 2HZ LYS 47 2HZ LYS 47 -13.835 11.301 1.105 331 H SER 48 H SER 48 -10.671 7.691 0.144 332 HA SER 48 HA SER 48 -11.468 9.006 2.605 333 2HB SER 48 2HB SER 48 -11.979 6.542 2.202 334 HG SER 48 HG SER 48 -10.375 5.185 1.817 335 HA PRO 49 HA PRO 49 -7.306 10.284 3.042 336 2HB PRO 49 2HB PRO 49 -7.940 12.256 4.049 337 2HG PRO 49 2HG PRO 49 -10.087 12.261 4.891 338 2HD PRO 49 2HD PRO 49 -11.042 10.628 3.583 339 H VAL 50 H VAL 50 -5.307 9.758 4.006 340 HA VAL 50 HA VAL 50 -5.455 7.900 6.205 341 HB VAL 50 HB VAL 50 -4.301 7.057 3.540 342 1HG1 VAL 50 1HG1 VAL 50 -3.286 5.361 4.590 343 2HG1 VAL 50 2HG1 VAL 50 -3.608 6.232 6.109 344 3HG1 VAL 50 3HG1 VAL 50 -4.740 4.980 5.544 345 1HG2 VAL 50 1HG2 VAL 50 -6.698 7.010 3.362 346 2HG2 VAL 50 2HG2 VAL 50 -6.130 5.337 3.584 347 3HG2 VAL 50 3HG2 VAL 50 -6.854 6.219 4.950 348 H ARG 51 H ARG 51 -3.465 7.762 7.342 349 HA ARG 51 HA ARG 51 -1.299 9.289 6.187 350 2HB ARG 51 2HB ARG 51 -2.095 11.024 7.545 351 2HG ARG 51 2HG ARG 51 -2.832 10.153 10.052 352 2HD ARG 51 2HD ARG 51 -4.752 10.156 7.682 353 HE ARG 51 HE ARG 51 -6.117 9.925 9.584 354 1HH1 ARG 51 2HH2 ARG 51 -3.654 12.398 10.198 355 2HH1 ARG 51 1HH2 ARG 51 -4.381 12.931 11.676 356 2HH2 ARG 51 1HH ARG 51 -6.392 11.878 12.444 357 H ILE 52 H ILE 52 0.709 8.337 6.608 358 HA ILE 52 HA ILE 52 0.999 6.619 8.905 359 HB ILE 52 HB ILE 52 1.990 4.979 6.917 360 2HG1 ILE 52 2HG1 ILE 52 0.578 6.486 5.352 361 1HG2 ILE 52 1HG2 ILE 52 0.726 4.526 9.111 362 2HG2 ILE 52 2HG2 ILE 52 -0.749 4.619 8.120 363 3HG2 ILE 52 3HG2 ILE 52 0.492 3.397 7.756 364 1HD1 ILE 52 1HD1 ILE 52 0.003 3.491 5.357 365 2HD1 ILE 52 2HD1 ILE 52 0.032 4.581 3.950 366 3HD1 ILE 52 3HD1 ILE 52 1.543 4.196 4.811 367 H LEU 53 H LEU 53 3.216 6.269 9.453 368 HA LEU 53 HA LEU 53 4.964 8.183 8.115 369 2HB LEU 53 2HB LEU 53 4.822 6.965 10.837 370 HG LEU 53 HG LEU 53 7.332 7.978 9.528 371 1HD1 LEU 53 1HD1 LEU 53 6.738 9.550 11.378 372 2HD1 LEU 53 2HD1 LEU 53 6.797 8.170 12.502 373 3HD1 LEU 53 3HD1 LEU 53 8.264 8.667 11.623 374 1HD2 LEU 53 1HD2 LEU 53 6.443 5.520 10.708 375 2HD2 LEU 53 2HD2 LEU 53 7.978 5.889 9.885 376 3HD2 LEU 53 3HD2 LEU 53 7.820 6.158 11.638 377 H CYS 54 H CYS 54 7.085 7.589 7.391 378 HA CYS 54 HA CYS 54 7.274 4.715 6.853 379 2HB CYS 54 2HB CYS 54 8.168 7.098 5.216 380 HG CYS 54 HG CYS 54 8.541 3.919 4.460 381 H ARG 55 H ARG 55 9.010 3.667 7.787 382 HA ARG 55 HA ARG 55 11.066 5.408 8.890 383 2HB ARG 55 2HB ARG 55 11.439 3.129 10.306 384 2HG ARG 55 2HG ARG 55 9.190 4.240 11.606 385 2HD ARG 55 2HD ARG 55 11.613 5.772 12.134 386 HE ARG 55 HE ARG 55 9.685 4.566 13.662 387 1HH1 ARG 55 2HH2 ARG 55 13.203 4.160 13.561 388 2HH1 ARG 55 1HH2 ARG 55 13.325 3.718 15.230 389 2HH2 ARG 55 1HH ARG 55 11.337 3.618 16.567 390 H ARG 56 H ARG 56 13.085 3.569 9.443 391 HA ARG 56 HA ARG 56 14.335 3.305 7.061 392 2HB ARG 56 2HB ARG 56 15.540 1.301 8.493 393 2HG ARG 56 2HG ARG 56 15.993 3.971 9.713 394 2HD ARG 56 2HD ARG 56 18.234 3.313 8.261 395 HE ARG 56 HE ARG 56 17.430 3.027 11.006 396 1HH1 ARG 56 2HH2 ARG 56 19.908 1.878 8.750 397 2HH1 ARG 56 1HH2 ARG 56 21.085 1.602 9.990 398 2HH2 ARG 56 1HH ARG 56 20.520 2.070 12.271 399 H GLY 57 H GLY 57 14.227 1.857 5.350 400 1HA GLY 57 1HA GLY 57 12.179 0.105 4.957 401 2HA GLY 57 2HA GLY 57 13.740 0.000 4.170 402 H ASP 58 H ASP 58 15.103 -0.355 6.914 403 HA ASP 58 HA ASP 58 15.199 -3.111 6.839 404 2HB ASP 58 2HB ASP 58 15.873 -1.297 9.202 405 HD2 ASP 58 HD ASP 58 18.388 -3.448 10.137 406 H THR 59 H THR 59 13.273 -0.752 8.737 407 HA THR 59 HA THR 59 12.051 -2.946 10.255 408 HB THR 59 HB THR 59 13.017 -0.397 10.970 409 HG1 THR 59 1HG THR 59 11.774 -1.099 12.962 410 1HG2 THR 59 1HG2 THR 59 9.994 -0.425 11.346 411 2HG2 THR 59 2HG2 THR 59 11.132 0.914 11.633 412 3HG2 THR 59 3HG2 THR 59 10.728 0.429 9.968 413 H LEU 60 H LEU 60 11.657 -1.792 7.282 414 HA LEU 60 HA LEU 60 9.133 -0.765 7.075 415 2HB LEU 60 2HB LEU 60 10.174 -2.802 5.134 416 HG LEU 60 HG LEU 60 8.048 -1.460 4.675 417 1HD1 LEU 60 1HD1 LEU 60 8.189 0.823 4.073 418 2HD1 LEU 60 2HD1 LEU 60 9.016 0.672 5.641 419 3HD1 LEU 60 3HD1 LEU 60 9.967 0.815 4.143 420 1HD2 LEU 60 1HD2 LEU 60 10.394 -1.883 2.936 421 2HD2 LEU 60 2HD2 LEU 60 8.696 -2.374 2.728 422 3HD2 LEU 60 3HD2 LEU 60 9.197 -0.715 2.326 423 H ASP 61 H ASP 61 10.173 -4.172 7.550 424 HA ASP 61 HA ASP 61 7.755 -5.360 7.089 425 2HB ASP 61 2HB ASP 61 9.892 -6.577 7.452 426 HD2 ASP 61 HD ASP 61 11.147 -4.582 9.566 427 H GLU 62 H GLU 62 9.224 -4.073 10.160 428 HA GLU 62 HA GLU 62 6.947 -4.698 11.695 429 2HB GLU 62 2HB GLU 62 9.514 -3.187 12.123 430 2HG GLU 62 2HG GLU 62 6.955 -2.770 13.625 431 HE2 GLU 62 HE GLU 62 8.125 -4.232 16.448 432 H ILE 63 H ILE 63 8.191 -1.764 10.023 433 HA ILE 63 HA ILE 63 6.436 0.085 11.085 434 HB ILE 63 HB ILE 63 8.460 0.050 9.230 435 2HG1 ILE 63 2HG1 ILE 63 7.947 2.556 9.093 436 1HG2 ILE 63 1HG2 ILE 63 7.726 0.809 7.148 437 2HG2 ILE 63 2HG2 ILE 63 6.611 -0.523 7.535 438 3HG2 ILE 63 3HG2 ILE 63 6.087 1.165 7.744 439 1HD1 ILE 63 1HD1 ILE 63 6.084 2.152 11.393 440 2HD1 ILE 63 2HD1 ILE 63 6.113 3.439 10.165 441 3HD1 ILE 63 3HD1 ILE 63 5.401 1.854 9.776 442 H ILE 64 H ILE 64 5.952 -2.479 8.675 443 HA ILE 64 HA ILE 64 3.574 -1.478 7.581 444 HB ILE 64 HB ILE 64 4.793 -4.220 7.792 445 2HG1 ILE 64 2HG1 ILE 64 5.567 -2.150 6.270 446 1HG2 ILE 64 1HG2 ILE 64 3.085 -4.960 6.141 447 2HG2 ILE 64 2HG2 ILE 64 2.421 -4.609 7.755 448 3HG2 ILE 64 3HG2 ILE 64 2.203 -3.441 6.429 449 1HD1 ILE 64 1HD1 ILE 64 6.943 -3.748 5.438 450 2HD1 ILE 64 2HD1 ILE 64 5.970 -4.946 6.323 451 3HD1 ILE 64 3HD1 ILE 64 5.588 -4.568 4.626 452 H LYS 65 H LYS 65 4.272 -3.621 10.401 453 HA LYS 65 HA LYS 65 1.597 -4.176 10.989 454 2HB LYS 65 2HB LYS 65 3.313 -4.104 13.332 455 2HG LYS 65 2HG LYS 65 2.607 -6.622 11.853 456 2HD LYS 65 2HD LYS 65 2.215 -5.680 14.734 457 2HE LYS 65 2HE LYS 65 1.140 -7.930 13.304 458 1HZ LYS 65 1HZ LYS 65 3.373 -8.571 15.130 459 2HZ LYS 65 2HZ LYS 65 2.128 -9.607 14.960 460 H ARG 66 H ARG 66 3.797 -1.488 11.916 461 HA ARG 66 HA ARG 66 1.961 -0.401 13.737 462 2HB ARG 66 2HB ARG 66 3.486 1.693 13.419 463 2HG ARG 66 2HG ARG 66 5.575 0.190 14.238 464 2HD ARG 66 2HD ARG 66 3.082 1.149 15.546 465 HE ARG 66 HE ARG 66 2.986 -0.693 16.980 466 1HH1 ARG 66 2HH2 ARG 66 6.387 0.002 16.274 467 2HH1 ARG 66 1HH2 ARG 66 6.989 -1.171 17.397 468 2HH2 ARG 66 1HH ARG 66 5.438 -2.478 18.673 469 H LEU 67 H LEU 67 2.631 -0.030 10.244 470 HA LEU 67 HA LEU 67 1.172 2.338 9.862 471 2HB LEU 67 2HB LEU 67 1.098 1.418 7.455 472 HG LEU 67 HG LEU 67 3.939 1.336 7.947 473 1HD1 LEU 67 1HD1 LEU 67 3.392 2.146 5.883 474 2HD1 LEU 67 2HD1 LEU 67 1.967 3.033 6.478 475 3HD1 LEU 67 3HD1 LEU 67 3.601 3.681 6.761 476 1HD2 LEU 67 1HD2 LEU 67 3.260 2.365 10.126 477 2HD2 LEU 67 2HD2 LEU 67 4.305 3.389 9.115 478 3HD2 LEU 67 3HD2 LEU 67 2.559 3.719 9.207 479 H LEU 68 H LEU 68 0.293 -1.160 9.512 480 HA LEU 68 HA LEU 68 -2.258 -0.865 8.611 481 2HB LEU 68 2HB LEU 68 -0.736 -2.935 9.236 482 HG LEU 68 HG LEU 68 -1.283 -2.573 11.756 483 1HD1 LEU 68 1HD1 LEU 68 -3.555 -2.295 11.936 484 2HD1 LEU 68 2HD1 LEU 68 -3.918 -3.476 10.655 485 3HD1 LEU 68 3HD1 LEU 68 -3.407 -4.038 12.265 486 1HD2 LEU 68 1HD2 LEU 68 -0.394 -4.677 10.359 487 2HD2 LEU 68 2HD2 LEU 68 -0.701 -4.734 12.112 488 3HD2 LEU 68 3HD2 LEU 68 -1.913 -5.372 10.975 489 H GLU 69 H GLU 69 -1.040 -0.608 11.996 490 HA GLU 69 HA GLU 69 -3.504 -0.393 13.195 491 2HB GLU 69 2HB GLU 69 -2.289 0.587 15.091 492 2HG GLU 69 2HG GLU 69 -0.049 -1.012 14.630 493 HE2 GLU 69 HE GLU 69 -0.085 -2.415 16.188 494 H GLU 70 H GLU 70 -1.733 1.859 11.173 495 HA GLU 70 HA GLU 70 -3.319 4.076 12.122 496 2HB GLU 70 2HB GLU 70 -1.895 5.443 10.627 497 2HG GLU 70 2HG GLU 70 0.423 4.326 11.580 498 HE2 GLU 70 HE GLU 70 0.786 5.534 14.001 499 H SER 71 H SER 71 -2.832 1.989 9.233 500 HA SER 71 HA SER 71 -4.851 3.448 7.809 501 2HB SER 71 2HB SER 71 -4.372 1.752 6.000 502 HG SER 71 HG SER 71 -1.795 2.571 6.860 503 H ASN 72 H ASN 72 -4.312 -0.065 8.634 504 HA ASN 72 HA ASN 72 -6.648 -1.095 8.038 505 2HB ASN 72 2HB ASN 72 -5.707 -1.743 10.829 506 1HD2 ASN 72 1HD2 ASN 72 -7.363 -3.128 11.071 507 2HD2 ASN 72 2HD2 ASN 72 -7.644 -4.532 10.097 508 H LYS 73 H LYS 73 -5.918 1.080 10.795 509 HA LYS 73 HA LYS 73 -8.249 0.710 12.264 510 2HB LYS 73 2HB LYS 73 -7.414 3.413 12.509 511 2HG LYS 73 2HG LYS 73 -6.067 1.704 14.386 512 2HD LYS 73 2HD LYS 73 -7.731 3.925 14.433 513 2HE LYS 73 2HE LYS 73 -9.569 3.170 16.053 514 1HZ LYS 73 1HZ LYS 73 -9.552 3.164 13.283 515 2HZ LYS 73 2HZ LYS 73 -10.365 1.813 13.690 516 H GLU 74 H GLU 74 -7.465 3.123 9.668 517 HA GLU 74 HA GLU 74 -10.269 3.815 9.618 518 2HB GLU 74 2HB GLU 74 -8.561 5.626 9.622 519 2HG GLU 74 2HG GLU 74 -7.874 4.709 6.798 520 HE2 GLU 74 HE GLU 74 -5.227 5.552 8.299 521 H GLY 75 H GLY 75 -8.597 1.301 8.457 522 1HA GLY 75 1HA GLY 75 -10.022 1.314 5.863 523 2HA GLY 75 2HA GLY 75 -8.393 0.695 6.045 524 H ILE 76 H ILE 76 -9.711 -1.250 5.076 525 HA ILE 76 HA ILE 76 -11.161 -2.686 7.147 526 HB ILE 76 HB ILE 76 -12.133 -2.491 4.918 527 2HG1 ILE 76 2HG1 ILE 76 -11.322 -5.322 5.644 528 1HG2 ILE 76 1HG2 ILE 76 -9.529 -2.925 4.007 529 2HG2 ILE 76 2HG2 ILE 76 -10.426 -4.390 3.542 530 3HG2 ILE 76 3HG2 ILE 76 -11.008 -2.790 3.024 531 1HD1 ILE 76 1HD1 ILE 76 -12.584 -4.956 7.490 532 2HD1 ILE 76 2HD1 ILE 76 -13.039 -3.331 6.924 533 3HD1 ILE 76 3HD1 ILE 76 -13.978 -4.750 6.403 534 H HIS 77 H HIS 77 -10.635 -5.066 7.440 535 HA HIS 77 HA HIS 77 -8.131 -5.372 8.430 536 2HB HIS 77 2HB HIS 77 -9.571 -7.728 7.249 537 HD1 HIS 77 1HD HIS 77 -8.510 -9.778 8.183 538 HD2 HIS 77 2HD HIS 77 -7.982 -6.458 10.693 539 HE1 HIS 77 1HE HIS 77 -7.090 -10.583 10.145 540 H VAL 78 H VAL 78 -6.338 -4.779 7.245 541 HA VAL 78 HA VAL 78 -5.831 -6.424 4.879 542 HB VAL 78 HB VAL 78 -6.013 -3.472 5.075 543 1HG1 VAL 78 1HG1 VAL 78 -3.654 -3.563 4.774 544 2HG1 VAL 78 2HG1 VAL 78 -3.782 -4.882 3.587 545 3HG1 VAL 78 3HG1 VAL 78 -4.353 -3.249 3.167 546 1HG2 VAL 78 1HG2 VAL 78 -6.257 -5.391 2.733 547 2HG2 VAL 78 2HG2 VAL 78 -7.603 -4.861 3.770 548 3HG2 VAL 78 3HG2 VAL 78 -6.736 -3.677 2.764 549 H ILE 79 H ILE 79 -3.714 -7.162 4.717 550 HA ILE 79 HA ILE 79 -1.880 -6.158 6.776 551 HB ILE 79 HB ILE 79 -1.068 -8.429 7.100 552 2HG1 ILE 79 2HG1 ILE 79 -1.915 -9.133 4.730 553 1HG2 ILE 79 1HG2 ILE 79 -2.863 -7.458 8.533 554 2HG2 ILE 79 2HG2 ILE 79 -4.064 -8.294 7.519 555 3HG2 ILE 79 3HG2 ILE 79 -2.877 -9.236 8.452 556 1HD1 ILE 79 1HD1 ILE 79 -2.411 -11.178 6.908 557 2HD1 ILE 79 2HD1 ILE 79 -1.606 -11.389 5.334 558 3HD1 ILE 79 3HD1 ILE 79 -0.774 -10.529 6.650 559 H HIS 80 H HIS 80 -1.845 -4.908 4.387 560 HA HIS 80 HA HIS 80 -0.029 -6.322 2.643 561 2HB HIS 80 2HB HIS 80 -0.262 -4.258 1.240 562 HD1 HIS 80 1HD HIS 80 -1.302 -7.137 0.982 563 HD2 HIS 80 2HD HIS 80 -3.803 -3.783 1.295 564 HE1 HIS 80 1HE HIS 80 -3.542 -7.818 -0.033 565 H ASP 81 H ASP 81 1.972 -5.087 1.838 566 HA ASP 81 HA ASP 81 3.307 -4.108 4.208 567 2HB ASP 81 2HB ASP 81 5.367 -4.326 2.658 568 HD2 ASP 81 HD ASP 81 3.054 -6.248 4.166 569 H SER 82 H SER 82 5.126 -2.326 3.548 570 HA SER 82 HA SER 82 3.678 -0.111 2.631 571 2HB SER 82 2HB SER 82 5.525 1.144 3.306 572 HG SER 82 HG SER 82 4.934 -0.572 4.977 573 H ILE 83 H ILE 83 5.838 -2.488 1.132 574 HA ILE 83 HA ILE 83 6.396 -0.901 -1.173 575 HB ILE 83 HB ILE 83 6.666 -3.886 -0.834 576 2HG1 ILE 83 2HG1 ILE 83 7.743 -2.882 1.070 577 1HG2 ILE 83 1HG2 ILE 83 7.070 -2.261 -3.047 578 2HG2 ILE 83 2HG2 ILE 83 8.701 -2.471 -2.366 579 3HG2 ILE 83 3HG2 ILE 83 7.725 -3.897 -2.793 580 1HD1 ILE 83 1HD1 ILE 83 10.238 -3.064 -0.411 581 2HD1 ILE 83 2HD1 ILE 83 9.555 -4.207 0.769 582 3HD1 ILE 83 3HD1 ILE 83 9.118 -4.337 -0.952 583 H THR 84 H THR 84 3.907 -3.235 -0.144 584 HA THR 84 HA THR 84 2.840 -3.554 -2.784 585 HB THR 84 HB THR 84 2.294 -4.473 0.020 586 HG1 THR 84 1HG THR 84 2.964 -6.204 -1.179 587 1HG2 THR 84 1HG2 THR 84 0.185 -4.487 -2.205 588 2HG2 THR 84 2HG2 THR 84 0.097 -5.441 -0.705 589 3HG2 THR 84 3HG2 THR 84 0.027 -3.664 -0.635 590 H LEU 85 H LEU 85 2.240 -1.413 0.015 591 HA LEU 85 HA LEU 85 -0.213 -0.418 -0.832 592 2HB LEU 85 2HB LEU 85 0.865 1.677 0.479 593 HG LEU 85 HG LEU 85 -1.046 0.577 1.403 594 1HD1 LEU 85 1HD1 LEU 85 0.495 -1.741 2.482 595 2HD1 LEU 85 2HD1 LEU 85 -1.223 -1.608 2.035 596 3HD1 LEU 85 3HD1 LEU 85 0.018 -1.766 0.767 597 1HD2 LEU 85 1HD2 LEU 85 0.070 1.848 3.045 598 2HD2 LEU 85 2HD2 LEU 85 -0.322 0.296 3.825 599 3HD2 LEU 85 3HD2 LEU 85 1.337 0.615 3.260 600 H ALA 86 H ALA 86 3.162 0.467 -1.696 601 HA ALA 86 HA ALA 86 2.484 2.770 -3.148 602 1HB ALA 86 1HB ALA 86 4.827 1.449 -4.195 603 2HB ALA 86 2HB ALA 86 4.725 2.903 -3.171 604 3HB ALA 86 3HB ALA 86 4.805 1.289 -2.422 605 H PHE 87 H PHE 87 2.820 -0.713 -4.028 606 HA PHE 87 HA PHE 87 2.407 -0.255 -6.787 607 2HB PHE 87 2HB PHE 87 1.654 -2.836 -5.389 608 HD1 PHE 87 1HD PHE 87 0.848 -3.487 -7.615 609 HD2 PHE 87 2HD PHE 87 4.886 -2.345 -6.987 610 HE1 PHE 87 1HE PHE 87 1.478 -4.505 -9.820 611 HE2 PHE 87 2HE PHE 87 5.516 -3.363 -9.193 612 HZ PHE 87 HZ PHE 87 3.805 -4.431 -10.584 613 H LEU 88 H LEU 88 0.284 -1.485 -4.107 614 HA LEU 88 HA LEU 88 -1.976 -1.836 -5.692 615 2HB LEU 88 2HB LEU 88 -3.064 -1.386 -3.305 616 HG LEU 88 HG LEU 88 -3.141 -3.602 -4.159 617 1HD1 LEU 88 1HD1 LEU 88 -1.245 -4.087 -5.331 618 2HD1 LEU 88 2HD1 LEU 88 -0.163 -3.423 -4.083 619 3HD1 LEU 88 3HD1 LEU 88 -0.919 -5.017 -3.848 620 1HD2 LEU 88 1HD2 LEU 88 -3.520 -4.190 -2.048 621 2HD2 LEU 88 2HD2 LEU 88 -1.827 -4.739 -1.987 622 3HD2 LEU 88 3HD2 LEU 88 -2.252 -3.101 -1.437 623 H ILE 89 H ILE 89 -0.887 0.989 -3.699 624 HA ILE 89 HA ILE 89 -3.099 2.584 -4.308 625 HB ILE 89 HB ILE 89 -0.281 3.252 -3.463 626 2HG1 ILE 89 2HG1 ILE 89 -1.899 1.856 -1.989 627 1HG2 ILE 89 1HG2 ILE 89 -2.613 5.012 -4.075 628 2HG2 ILE 89 2HG2 ILE 89 -1.598 5.409 -2.669 629 3HG2 ILE 89 3HG2 ILE 89 -0.870 5.296 -4.289 630 1HD1 ILE 89 1HD1 ILE 89 -0.834 2.698 -0.090 631 2HD1 ILE 89 2HD1 ILE 89 0.226 3.339 -1.368 632 3HD1 ILE 89 3HD1 ILE 89 -1.001 4.390 -0.621 633 H ARG 90 H ARG 90 0.201 2.385 -5.804 634 HA ARG 90 HA ARG 90 0.111 4.311 -7.578 635 2HB ARG 90 2HB ARG 90 1.001 2.162 -9.170 636 2HG ARG 90 2HG ARG 90 2.742 3.359 -6.996 637 2HD ARG 90 2HD ARG 90 3.475 3.415 -9.890 638 HE ARG 90 HE ARG 90 4.827 3.297 -7.345 639 1HH1 ARG 90 2HH2 ARG 90 5.170 2.233 -10.707 640 2HH1 ARG 90 1HH2 ARG 90 6.900 2.177 -10.643 641 2HH2 ARG 90 1HH ARG 90 8.019 2.763 -8.606 642 H GLU 91 H GLU 91 -1.837 1.315 -7.667 643 HA GLU 91 HA GLU 91 -2.703 1.629 -10.313 644 2HB GLU 91 2HB GLU 91 -4.685 0.173 -8.938 645 2HG GLU 91 2HG GLU 91 -2.801 -1.725 -9.651 646 HE2 GLU 91 HE GLU 91 -5.017 -2.380 -12.250 647 H LYS 92 H LYS 92 -4.128 2.483 -7.093 648 HA LYS 92 HA LYS 92 -6.313 3.838 -8.442 649 2HB LYS 92 2HB LYS 92 -6.950 2.477 -6.585 650 2HG LYS 92 2HG LYS 92 -5.757 3.868 -4.364 651 2HD LYS 92 2HD LYS 92 -4.563 1.315 -4.610 652 2HE LYS 92 2HE LYS 92 -7.306 1.545 -3.404 653 1HZ LYS 92 1HZ LYS 92 -6.317 -0.219 -2.427 654 2HZ LYS 92 2HZ LYS 92 -4.815 0.194 -2.903 655 H ALA 93 H ALA 93 -3.144 4.527 -7.912 656 HA ALA 93 HA ALA 93 -3.601 7.327 -8.133 657 1HB ALA 93 1HB ALA 93 -3.208 8.044 -6.028 658 2HB ALA 93 2HB ALA 93 -3.537 6.369 -5.520 659 3HB ALA 93 3HB ALA 93 -1.862 6.901 -5.805 660 H SER 94 H SER 94 -2.515 6.507 -10.142 661 HA SER 94 HA SER 94 0.171 5.616 -9.821 662 2HB SER 94 2HB SER 94 -1.233 4.780 -11.671 663 HG SER 94 HG SER 94 -1.588 6.306 -13.493 664 H HIS 95 H HIS 95 -1.129 8.520 -9.196 665 HA HIS 95 HA HIS 95 0.791 10.091 -10.710 666 2HB HIS 95 2HB HIS 95 -0.528 11.962 -9.383 667 HD1 HIS 95 1HD HIS 95 0.370 11.624 -12.265 668 HD2 HIS 95 2HD HIS 95 -3.623 11.188 -11.057 669 HE1 HIS 95 1HE HIS 95 -1.054 12.021 -14.345 670 H ARG 96 H ARG 96 -0.418 10.451 -7.316 671 HA ARG 96 HA ARG 96 2.375 10.718 -6.563 672 2HB ARG 96 2HB ARG 96 1.652 12.137 -4.752 673 2HG ARG 96 2HG ARG 96 -0.488 12.973 -6.670 674 2HD ARG 96 2HD ARG 96 1.424 14.171 -4.832 675 HE ARG 96 HE ARG 96 1.475 15.757 -7.301 676 1HH1 ARG 96 2HH2 ARG 96 3.223 13.379 -5.340 677 2HH1 ARG 96 1HH2 ARG 96 4.766 13.762 -6.027 678 2HH2 ARG 96 1HH ARG 96 4.912 15.460 -7.711 679 H ILE 97 H ILE 97 3.203 8.884 -5.608 680 HA ILE 97 HA ILE 97 1.353 7.315 -3.947 681 HB ILE 97 HB ILE 97 3.795 6.195 -5.285 682 2HG1 ILE 97 2HG1 ILE 97 1.469 7.212 -6.638 683 1HG2 ILE 97 1HG2 ILE 97 1.440 5.157 -3.806 684 2HG2 ILE 97 2HG2 ILE 97 1.999 4.201 -5.199 685 3HG2 ILE 97 3HG2 ILE 97 3.120 4.570 -3.866 686 1HD1 ILE 97 1HD1 ILE 97 3.934 7.191 -7.345 687 2HD1 ILE 97 2HD1 ILE 97 3.717 5.465 -7.720 688 3HD1 ILE 97 3HD1 ILE 97 2.771 6.692 -8.596 689 H VAL 98 H VAL 98 2.713 5.931 -2.277 690 HA VAL 98 HA VAL 98 4.285 7.892 -0.833 691 HB VAL 98 HB VAL 98 2.605 6.844 0.434 692 1HG1 VAL 98 1HG1 VAL 98 1.842 4.955 -0.610 693 2HG1 VAL 98 2HG1 VAL 98 3.479 4.363 -0.983 694 3HG1 VAL 98 3HG1 VAL 98 2.826 4.194 0.664 695 1HG2 VAL 98 1HG2 VAL 98 4.013 6.713 2.156 696 2HG2 VAL 98 2HG2 VAL 98 4.424 5.049 1.677 697 3HG2 VAL 98 3HG2 VAL 98 5.375 6.417 1.050 698 H HIS 99 H HIS 99 6.482 7.808 -0.538 699 HA HIS 99 HA HIS 99 7.856 5.788 -2.088 700 2HB HIS 99 2HB HIS 99 9.821 7.381 -1.114 701 HD1 HIS 99 1HD HIS 99 10.689 9.157 -2.992 702 HD2 HIS 99 2HD HIS 99 7.393 6.780 -4.031 703 HE1 HIS 99 1HE HIS 99 10.488 9.287 -5.532 704 H ARG 100 H ARG 100 9.969 4.888 -1.062 705 HA ARG 100 HA ARG 100 9.619 4.502 1.778 706 2HB ARG 100 2HB ARG 100 10.024 2.183 -0.179 707 2HG ARG 100 2HG ARG 100 9.076 1.267 2.314 708 2HD ARG 100 2HD ARG 100 11.171 0.087 2.428 709 HE ARG 100 HE ARG 100 9.839 0.211 -0.036 710 1HH1 ARG 100 2HH2 ARG 100 13.158 -0.437 1.023 711 2HH1 ARG 100 1HH2 ARG 100 13.517 -1.472 -0.319 712 2HH2 ARG 100 1HH ARG 100 11.829 -1.877 -1.971 713 H VAL 101 H VAL 101 11.558 5.485 2.388 714 HA VAL 101 HA VAL 101 13.969 4.589 0.969 715 HB VAL 101 HB VAL 101 13.645 6.931 0.730 716 1HG1 VAL 101 1HG1 VAL 101 12.045 7.419 2.443 717 2HG1 VAL 101 2HG1 VAL 101 13.194 6.977 3.729 718 3HG1 VAL 101 3HG1 VAL 101 13.475 8.435 2.748 719 1HG2 VAL 101 1HG2 VAL 101 15.929 5.866 1.672 720 2HG2 VAL 101 2HG2 VAL 101 15.748 7.595 1.293 721 3HG2 VAL 101 3HG2 VAL 101 15.599 7.033 2.975 722 H VAL 102 H VAL 102 15.835 3.996 2.230 723 HA VAL 102 HA VAL 102 15.169 3.388 5.028 724 HB VAL 102 HB VAL 102 15.102 1.414 3.517 725 1HG1 VAL 102 1HG1 VAL 102 16.746 0.869 2.088 726 2HG1 VAL 102 2HG1 VAL 102 17.342 2.527 2.341 727 3HG1 VAL 102 3HG1 VAL 102 18.018 1.184 3.293 728 1HG2 VAL 102 1HG2 VAL 102 17.464 0.911 5.256 729 2HG2 VAL 102 2HG2 VAL 102 16.016 1.584 6.043 730 3HG2 VAL 102 3HG2 VAL 102 15.911 0.050 5.148 731 H LYS 103 H LYS 103 16.159 5.405 5.660 732 HA LYS 103 HA LYS 103 18.854 5.162 6.287 733 2HB LYS 103 2HB LYS 103 18.576 7.302 4.203 734 2HG LYS 103 2HG LYS 103 20.701 5.903 5.737 735 2HD LYS 103 2HD LYS 103 20.714 5.380 2.998 736 2HE LYS 103 2HE LYS 103 22.259 7.927 3.605 737 1HZ LYS 103 1HZ LYS 103 23.487 5.859 2.441 738 2HZ LYS 103 2HZ LYS 103 22.790 6.512 1.121 739 H SER 104 H SER 104 16.048 7.276 5.569 740 HA SER 104 HA SER 104 16.627 8.592 8.099 741 2HB SER 104 2HB SER 104 15.317 10.208 5.936 742 HG SER 104 HG SER 104 17.020 10.627 8.195 743 H ASP 105 H ASP 105 14.457 10.019 8.648 744 HA ASP 105 HA ASP 105 12.323 8.072 8.386 745 2HB ASP 105 2HB ASP 105 12.552 10.474 10.258 746 HD2 ASP 105 HD ASP 105 10.767 10.793 11.365 747 H PHE 106 H PHE 106 10.312 8.693 7.432 748 HA PHE 106 HA PHE 106 9.834 11.484 6.888 749 2HB PHE 106 2HB PHE 106 9.449 9.803 4.481 750 HD1 PHE 106 1HD PHE 106 12.451 11.141 3.774 751 HD2 PHE 106 2HD PHE 106 8.556 12.461 4.820 752 HE1 PHE 106 1HE PHE 106 12.894 13.339 2.647 753 HE2 PHE 106 2HE PHE 106 8.999 14.659 3.693 754 HZ PHE 106 HZ PHE 106 11.162 15.072 2.620 755 H GLU 107 H GLU 107 7.636 11.943 6.749 756 HA GLU 107 HA GLU 107 5.934 9.606 7.070 757 2HB GLU 107 2HB GLU 107 4.278 11.262 8.015 758 2HG GLU 107 2HG GLU 107 7.011 11.462 9.357 759 HE2 GLU 107 HE GLU 107 4.385 13.363 10.143 760 H ILE 108 H ILE 108 3.963 9.402 5.836 761 HA ILE 108 HA ILE 108 3.663 11.311 3.649 762 HB ILE 108 HB ILE 108 3.421 8.430 2.973 763 2HG1 ILE 108 2HG1 ILE 108 6.030 9.809 3.559 764 1HG2 ILE 108 1HG2 ILE 108 2.790 9.913 1.262 765 2HG2 ILE 108 2HG2 ILE 108 4.192 10.974 1.543 766 3HG2 ILE 108 3HG2 ILE 108 4.426 9.364 0.821 767 1HD1 ILE 108 1HD1 ILE 108 6.421 7.976 4.887 768 2HD1 ILE 108 2HD1 ILE 108 4.645 7.852 4.878 769 3HD1 ILE 108 3HD1 ILE 108 5.612 6.862 3.758 770 H GLY 109 H GLY 109 1.520 11.631 3.005 771 1HA GLY 109 1HA GLY 109 -0.535 9.879 4.113 772 2HA GLY 109 2HA GLY 109 -0.515 11.534 4.692 773 H VAL 110 H VAL 110 -2.722 10.483 3.255 774 HA VAL 110 HA VAL 110 -2.698 12.303 1.003 775 HB VAL 110 HB VAL 110 -2.272 9.525 0.665 776 1HG1 VAL 110 1HG1 VAL 110 -4.784 9.379 0.946 777 2HG1 VAL 110 2HG1 VAL 110 -4.929 10.348 -0.540 778 3HG1 VAL 110 3HG1 VAL 110 -4.145 8.751 -0.592 779 1HG2 VAL 110 1HG2 VAL 110 -1.558 10.236 -1.343 780 2HG2 VAL 110 2HG2 VAL 110 -3.114 11.010 -1.725 781 3HG2 VAL 110 3HG2 VAL 110 -1.909 11.874 -0.741 782 H THR 111 H THR 111 -4.967 12.627 0.157 783 HA THR 111 HA THR 111 -6.897 12.107 2.324 784 HB THR 111 HB THR 111 -7.825 14.306 1.828 785 HG1 THR 111 1HG THR 111 -5.776 14.348 -0.269 786 1HG2 THR 111 1HG2 THR 111 -6.121 15.385 2.897 787 2HG2 THR 111 2HG2 THR 111 -5.042 14.018 2.530 788 3HG2 THR 111 3HG2 THR 111 -5.174 15.380 1.390 789 H ARG 112 H ARG 112 -6.088 11.767 -1.064 790 HA ARG 112 HA ARG 112 -8.519 10.270 -1.354 791 2HB ARG 112 2HB ARG 112 -9.564 11.671 -2.822 792 2HG ARG 112 2HG ARG 112 -7.265 13.468 -1.954 793 2HD ARG 112 2HD ARG 112 -8.497 13.956 -4.307 794 HE ARG 112 HE ARG 112 -10.584 14.463 -2.334 795 1HH1 ARG 112 2HH2 ARG 112 -9.266 15.556 -5.436 796 2HH1 ARG 112 1HH2 ARG 112 -10.759 16.259 -5.963 797 2HH2 ARG 112 1HH ARG 112 -12.677 16.151 -4.532 798 H ASP 113 H ASP 113 -5.561 11.600 -2.994 799 HA ASP 113 HA ASP 113 -4.187 9.384 -3.314 800 2HB ASP 113 2HB ASP 113 -4.971 9.057 -5.956 801 HD2 ASP 113 HD ASP 113 -6.561 6.959 -6.054 802 H GLY 114 H GLY 114 -5.518 12.351 -4.663 803 1HA GLY 114 1HA GLY 114 -3.461 12.785 -6.629 804 2HA GLY 114 2HA GLY 114 -4.707 13.903 -6.113 805 H GLU 115 H GLU 115 -4.441 14.837 -3.801 806 HA GLU 115 HA GLU 115 -1.773 15.822 -3.659 807 2HB GLU 115 2HB GLU 115 -2.640 17.372 -2.015 808 2HG GLU 115 2HG GLU 115 -4.526 16.706 -4.295 809 HE2 GLU 115 HE GLU 115 -7.114 18.214 -3.194 810 H ILE 116 H ILE 116 -0.227 15.447 -2.025 811 HA ILE 116 HA ILE 116 -0.991 13.446 -0.021 812 HB ILE 116 HB ILE 116 0.809 12.108 -0.444 813 2HG1 ILE 116 2HG1 ILE 116 2.131 14.611 -1.246 814 1HG2 ILE 116 1HG2 ILE 116 0.331 13.189 -3.229 815 2HG2 ILE 116 2HG2 ILE 116 0.789 11.537 -2.751 816 3HG2 ILE 116 3HG2 ILE 116 -0.830 12.161 -2.355 817 1HD1 ILE 116 1HD1 ILE 116 2.890 11.957 0.031 818 2HD1 ILE 116 2HD1 ILE 116 4.114 13.174 -0.404 819 3HD1 ILE 116 3HD1 ILE 116 2.846 13.571 0.782 820 H ILE 117 H ILE 117 0.737 13.397 1.808 821 HA ILE 117 HA ILE 117 1.813 16.092 2.201 822 HB ILE 117 HB ILE 117 1.082 15.799 4.633 823 2HG1 ILE 117 2HG1 ILE 117 0.141 13.345 3.674 824 1HG2 ILE 117 1HG2 ILE 117 -0.077 17.537 3.842 825 2HG2 ILE 117 2HG2 ILE 117 -0.387 16.741 2.280 826 3HG2 ILE 117 3HG2 ILE 117 -1.429 16.390 3.680 827 1HD1 ILE 117 1HD1 ILE 117 0.741 13.532 5.957 828 2HD1 ILE 117 2HD1 ILE 117 -0.266 14.979 6.197 829 3HD1 ILE 117 3HD1 ILE 117 -1.032 13.383 6.012 830 H VAL 118 H VAL 118 3.799 16.172 3.276 831 HA VAL 118 HA VAL 118 4.867 13.572 4.114 832 HB VAL 118 HB VAL 118 7.075 14.709 3.154 833 1HG1 VAL 118 1HG1 VAL 118 7.054 12.944 1.764 834 2HG1 VAL 118 2HG1 VAL 118 5.460 12.574 2.465 835 3HG1 VAL 118 3HG1 VAL 118 5.572 13.494 0.944 836 1HG2 VAL 118 1HG2 VAL 118 5.505 16.670 2.374 837 2HG2 VAL 118 2HG2 VAL 118 6.823 16.098 1.323 838 3HG2 VAL 118 3HG2 VAL 118 5.149 15.575 1.017 839 H ASP 119 H ASP 119 6.579 13.728 5.742 840 HA ASP 119 HA ASP 119 7.280 16.211 6.809 841 2HB ASP 119 2HB ASP 119 5.556 14.605 8.714 842 HD2 ASP 119 HD ASP 119 7.049 16.935 10.614 843 H LEU 120 H LEU 120 9.321 15.739 7.643 844 HA LEU 120 HA LEU 120 9.979 12.988 8.172 845 2HB LEU 120 2HB LEU 120 12.257 13.912 8.502 846 HG LEU 120 HG LEU 120 11.022 13.573 6.098 847 1HD1 LEU 120 1HD1 LEU 120 11.845 16.469 6.282 848 2HD1 LEU 120 2HD1 LEU 120 11.807 15.592 4.734 849 3HD1 LEU 120 3HD1 LEU 120 10.317 15.771 5.692 850 1HD2 LEU 120 1HD2 LEU 120 13.379 13.019 6.863 851 2HD2 LEU 120 2HD2 LEU 120 13.183 13.475 5.154 852 3HD2 LEU 120 3HD2 LEU 120 13.836 14.651 6.319 853 H ASN 121 H ASN 121 8.012 13.522 9.926 854 HA ASN 121 HA ASN 121 7.496 13.443 12.029 855 2HB ASN 121 2HB ASN 121 10.485 12.911 12.278 856 1HD2 ASN 121 1HD2 ASN 121 8.166 11.514 14.377 857 2HD2 ASN 121 2HD2 ASN 121 8.600 12.320 15.848 858 H SER 122 H SER 122 7.102 15.023 13.682 859 HA SER 122 HA SER 122 7.713 17.593 13.205 860 2HB SER 122 2HB SER 122 7.303 16.367 15.968 861 HG SER 122 HG SER 122 6.013 18.738 15.479 Start of MODEL 7 1 H MET 1 H MET 1 3.460 -13.226 -11.404 2 HA MET 1 HA MET 1 5.485 -12.421 -11.317 3 2HB MET 1 2HB MET 1 6.730 -12.812 -13.729 4 2HG MET 1 2HG MET 1 6.507 -15.426 -12.997 5 1HE MET 1 1HE MET 1 8.584 -15.118 -14.042 6 2HE MET 1 2HE MET 1 8.903 -13.367 -14.065 7 3HE MET 1 3HE MET 1 10.078 -14.476 -13.319 8 H ARG 2 H ARG 2 4.080 -11.500 -14.539 9 HA ARG 2 HA ARG 2 5.581 -9.414 -15.167 10 2HB ARG 2 2HB ARG 2 2.787 -8.620 -15.492 11 2HG ARG 2 2HG ARG 2 4.907 -8.372 -17.039 12 2HD ARG 2 2HD ARG 2 4.856 -11.111 -17.053 13 HE ARG 2 HE ARG 2 2.732 -10.403 -18.827 14 1HH1 ARG 2 2HH2 ARG 2 5.638 -12.431 -18.792 15 2HH1 ARG 2 1HH2 ARG 2 5.014 -13.560 -19.950 16 2HH2 ARG 2 1HH ARG 2 2.820 -13.223 -20.853 17 H GLU 3 H GLU 3 3.187 -9.602 -12.531 18 HA GLU 3 HA GLU 3 3.235 -6.786 -12.087 19 2HB GLU 3 2HB GLU 3 2.157 -8.050 -9.805 20 2HG GLU 3 2HG GLU 3 1.295 -6.089 -11.267 21 HE2 GLU 3 HE GLU 3 -0.996 -6.370 -13.412 22 H ARG 4 H ARG 4 4.648 -5.662 -10.798 23 HA ARG 4 HA ARG 4 6.523 -7.293 -9.308 24 2HB ARG 4 2HB ARG 4 7.272 -4.500 -9.337 25 2HG ARG 4 2HG ARG 4 8.872 -5.770 -11.216 26 2HD ARG 4 2HD ARG 4 9.554 -6.516 -8.435 27 HE ARG 4 HE ARG 4 10.884 -5.472 -10.737 28 1HH1 ARG 4 2HH2 ARG 4 10.964 -5.135 -7.210 29 2HH1 ARG 4 1HH2 ARG 4 12.639 -4.700 -7.166 30 2HH2 ARG 4 1HH ARG 4 13.873 -4.567 -9.217 31 H GLY 5 H GLY 5 7.490 -5.275 -7.513 32 1HA GLY 5 1HA GLY 5 6.950 -4.029 -5.681 33 2HA GLY 5 2HA GLY 5 5.247 -4.145 -6.081 34 H TRP 6 H TRP 6 4.195 -6.382 -5.773 35 HA TRP 6 HA TRP 6 5.230 -7.489 -3.268 36 2HB TRP 6 2HB TRP 6 3.121 -7.039 -2.693 37 HD1 TRP 6 HD TRP 6 2.149 -4.818 -3.850 38 HE1 TRP 6 1HE TRP 6 0.498 -4.281 -5.837 39 HE3 TRP 6 3HE TRP 6 2.152 -9.509 -5.811 40 HZ2 TRP 6 2HZ TRP 6 -0.598 -5.845 -7.959 41 HZ3 TRP 6 3HZ TRP 6 0.765 -9.919 -7.841 42 HH2 TRP 6 HH TRP 6 -0.578 -8.181 -8.910 43 H SER 7 H SER 7 6.711 -8.178 -5.530 44 HA SER 7 HA SER 7 5.650 -10.505 -6.730 45 2HB SER 7 2HB SER 7 7.197 -9.693 -8.192 46 HG SER 7 HG SER 7 9.305 -8.797 -6.765 47 H GLN 8 H GLN 8 8.488 -9.922 -4.515 48 HA GLN 8 HA GLN 8 7.780 -12.055 -2.859 49 2HB GLN 8 2HB GLN 8 10.345 -12.726 -4.273 50 2HG GLN 8 2HG GLN 8 8.319 -14.807 -3.725 51 1HE2 GLN 8 1HE2 GLN 8 9.976 -15.367 -1.255 52 2HE2 GLN 8 2HE2 GLN 8 11.461 -16.043 -1.837 53 H LYS 9 H LYS 9 8.167 -9.626 -1.995 54 HA LYS 9 HA LYS 9 10.912 -8.972 -1.557 55 2HB LYS 9 2HB LYS 9 8.365 -7.819 -0.380 56 2HG LYS 9 2HG LYS 9 10.887 -7.459 0.618 57 2HD LYS 9 2HD LYS 9 10.489 -5.425 -1.622 58 2HE LYS 9 2HE LYS 9 12.278 -5.382 0.841 59 1HZ LYS 9 1HZ LYS 9 13.336 -3.462 -0.381 60 2HZ LYS 9 2HZ LYS 9 13.735 -4.925 -0.974 61 H LYS 10 H LYS 10 8.322 -9.365 0.941 62 HA LYS 10 HA LYS 10 9.921 -11.381 2.262 63 2HB LYS 10 2HB LYS 10 9.240 -9.384 4.232 64 2HG LYS 10 2HG LYS 10 11.935 -9.506 4.254 65 2HD LYS 10 2HD LYS 10 10.159 -11.872 5.014 66 2HE LYS 10 2HE LYS 10 12.722 -10.877 6.334 67 1HZ LYS 10 1HZ LYS 10 11.707 -12.248 7.854 68 2HZ LYS 10 2HZ LYS 10 10.862 -13.097 6.750 69 H ILE 11 H ILE 11 7.400 -9.135 3.533 70 HA ILE 11 HA ILE 11 5.810 -11.381 4.296 71 HB ILE 11 HB ILE 11 5.113 -8.448 4.381 72 2HG1 ILE 11 2HG1 ILE 11 7.271 -8.732 5.445 73 1HG2 ILE 11 1HG2 ILE 11 4.122 -10.821 5.982 74 2HG2 ILE 11 2HG2 ILE 11 3.674 -9.121 6.257 75 3HG2 ILE 11 3HG2 ILE 11 3.217 -9.926 4.737 76 1HD1 ILE 11 1HD1 ILE 11 6.720 -7.602 7.374 77 2HD1 ILE 11 2HD1 ILE 11 5.107 -7.576 6.623 78 3HD1 ILE 11 3HD1 ILE 11 5.496 -8.805 7.851 79 H ALA 12 H ALA 12 6.403 -10.053 1.330 80 HA ALA 12 HA ALA 12 4.035 -9.440 0.160 81 1HB ALA 12 1HB ALA 12 6.617 -10.644 -0.681 82 2HB ALA 12 2HB ALA 12 5.253 -10.903 -1.796 83 3HB ALA 12 3HB ALA 12 5.733 -9.249 -1.346 84 H ARG 13 H ARG 13 5.374 -12.730 0.848 85 HA ARG 13 HA ARG 13 3.486 -14.187 -0.426 86 2HB ARG 13 2HB ARG 13 5.359 -15.337 0.529 87 2HG ARG 13 2HG ARG 13 5.198 -13.490 2.583 88 2HD ARG 13 2HD ARG 13 3.837 -15.988 3.440 89 HE ARG 13 HE ARG 13 6.360 -15.251 4.718 90 1HH1 ARG 13 2HH2 ARG 13 3.142 -16.619 5.293 91 2HH1 ARG 13 1HH2 ARG 13 3.624 -17.472 6.721 92 2HH2 ARG 13 1HH ARG 13 5.894 -17.316 7.473 93 H GLU 14 H GLU 14 3.436 -12.894 2.964 94 HA GLU 14 HA GLU 14 0.976 -14.017 3.612 95 2HB GLU 14 2HB GLU 14 1.589 -11.471 4.974 96 2HG GLU 14 2HG GLU 14 1.729 -14.329 6.021 97 HE2 GLU 14 HE GLU 14 1.031 -13.013 9.144 98 H LEU 15 H LEU 15 1.907 -11.170 1.756 99 HA LEU 15 HA LEU 15 -0.671 -9.921 2.008 100 2HB LEU 15 2HB LEU 15 0.412 -8.514 0.085 101 HG LEU 15 HG LEU 15 0.160 -7.778 2.504 102 1HD1 LEU 15 1HD1 LEU 15 3.092 -8.378 2.804 103 2HD1 LEU 15 2HD1 LEU 15 1.880 -7.985 4.048 104 3HD1 LEU 15 3HD1 LEU 15 1.862 -9.581 3.260 105 1HD2 LEU 15 1HD2 LEU 15 0.770 -6.023 1.189 106 2HD2 LEU 15 2HD2 LEU 15 2.228 -6.134 2.203 107 3HD2 LEU 15 3HD2 LEU 15 2.225 -6.839 0.569 108 H LYS 16 H LYS 16 0.917 -12.314 -0.020 109 HA LYS 16 HA LYS 16 -0.818 -11.982 -2.247 110 2HB LYS 16 2HB LYS 16 0.162 -14.252 -2.871 111 2HG LYS 16 2HG LYS 16 1.759 -11.736 -2.336 112 2HD LYS 16 2HD LYS 16 2.986 -14.267 -2.401 113 2HE LYS 16 2HE LYS 16 4.219 -13.447 -4.792 114 1HZ LYS 16 1HZ LYS 16 2.954 -15.713 -3.766 115 2HZ LYS 16 2HZ LYS 16 2.347 -15.500 -5.262 116 H THR 17 H THR 17 -0.731 -14.072 0.683 117 HA THR 17 HA THR 17 -3.013 -15.584 -0.105 118 HB THR 17 HB THR 17 -1.232 -16.423 1.431 119 HG1 THR 17 1HG THR 17 -2.840 -17.305 2.837 120 1HG2 THR 17 1HG2 THR 17 -2.393 -14.349 3.366 121 2HG2 THR 17 2HG2 THR 17 -1.206 -15.608 3.784 122 3HG2 THR 17 3HG2 THR 17 -0.755 -14.292 2.673 123 H THR 18 H THR 18 -2.500 -12.472 1.474 124 HA THR 18 HA THR 18 -5.100 -12.367 2.648 125 HB THR 18 HB THR 18 -2.773 -11.078 3.110 126 HG1 THR 18 1HG THR 18 -4.957 -10.999 4.203 127 1HG2 THR 18 1HG2 THR 18 -3.482 -9.842 0.714 128 2HG2 THR 18 2HG2 THR 18 -4.225 -8.770 1.926 129 3HG2 THR 18 3HG2 THR 18 -2.476 -9.094 1.978 130 H ARG 19 H ARG 19 -6.766 -10.735 2.057 131 HA ARG 19 HA ARG 19 -6.817 -9.560 -0.415 132 2HB ARG 19 2HB ARG 19 -8.357 -12.206 -0.360 133 2HG ARG 19 2HG ARG 19 -7.878 -10.639 -2.871 134 2HD ARG 19 2HD ARG 19 -10.549 -11.382 -2.728 135 HE ARG 19 HE ARG 19 -8.425 -13.250 -3.702 136 1HH1 ARG 19 2HH2 ARG 19 -10.925 -10.836 -4.392 137 2HH1 ARG 19 1HH2 ARG 19 -10.899 -11.116 -6.102 138 2HH2 ARG 19 1HH ARG 19 -9.402 -12.758 -6.999 139 H GLN 20 H GLN 20 -9.044 -11.607 1.625 140 HA GLN 20 HA GLN 20 -11.015 -11.195 2.472 141 2HB GLN 20 2HB GLN 20 -9.894 -8.444 3.149 142 2HG GLN 20 2HG GLN 20 -12.339 -9.183 3.742 143 1HE2 GLN 20 1HE2 GLN 20 -13.425 -10.888 4.321 144 2HE2 GLN 20 2HE2 GLN 20 -12.963 -12.096 5.473 145 H ASN 21 H ASN 21 -10.852 -10.638 -0.365 146 HA ASN 21 HA ASN 21 -11.929 -9.682 -1.988 147 2HB ASN 21 2HB ASN 21 -14.275 -8.543 -0.922 148 1HD2 ASN 21 1HD2 ASN 21 -15.786 -10.856 -0.417 149 2HD2 ASN 21 2HD2 ASN 21 -15.827 -11.841 -1.841 150 H VAL 22 H VAL 22 -10.172 -8.005 -0.069 151 HA VAL 22 HA VAL 22 -11.340 -5.420 0.035 152 HB VAL 22 HB VAL 22 -8.489 -6.383 0.336 153 1HG1 VAL 22 1HG1 VAL 22 -9.403 -3.750 0.004 154 2HG1 VAL 22 2HG1 VAL 22 -9.148 -3.938 1.755 155 3HG1 VAL 22 3HG1 VAL 22 -7.817 -4.272 0.621 156 1HG2 VAL 22 1HG2 VAL 22 -10.589 -7.018 1.939 157 2HG2 VAL 22 2HG2 VAL 22 -8.912 -6.850 2.511 158 3HG2 VAL 22 3HG2 VAL 22 -10.055 -5.496 2.692 159 H SER 23 H SER 23 -8.125 -5.275 -1.200 160 HA SER 23 HA SER 23 -9.140 -3.992 -3.544 161 2HB SER 23 2HB SER 23 -7.174 -3.182 -2.089 162 HG SER 23 HG SER 23 -5.367 -4.585 -3.682 163 H ALA 24 H ALA 24 -7.282 -6.936 -2.630 164 HA ALA 24 HA ALA 24 -6.439 -8.594 -3.886 165 1HB ALA 24 1HB ALA 24 -9.000 -8.909 -3.559 166 2HB ALA 24 2HB ALA 24 -9.118 -8.527 -5.293 167 3HB ALA 24 3HB ALA 24 -8.170 -9.934 -4.755 168 H ILE 25 H ILE 25 -5.370 -6.285 -4.886 169 HA ILE 25 HA ILE 25 -5.964 -5.976 -7.658 170 HB ILE 25 HB ILE 25 -3.821 -4.922 -5.824 171 2HG1 ILE 25 2HG1 ILE 25 -6.059 -4.020 -5.473 172 1HG2 ILE 25 1HG2 ILE 25 -2.534 -4.590 -7.616 173 2HG2 ILE 25 2HG2 ILE 25 -3.843 -5.010 -8.747 174 3HG2 ILE 25 3HG2 ILE 25 -3.724 -3.357 -8.097 175 1HD1 ILE 25 1HD1 ILE 25 -3.748 -2.475 -6.319 176 2HD1 ILE 25 2HD1 ILE 25 -5.245 -1.636 -6.793 177 3HD1 ILE 25 3HD1 ILE 25 -4.972 -2.073 -5.090 178 H GLU 26 H GLU 26 -4.010 -8.129 -5.718 179 HA GLU 26 HA GLU 26 -2.140 -8.699 -7.757 180 2HB GLU 26 2HB GLU 26 -2.801 -9.736 -5.034 181 2HG GLU 26 2HG GLU 26 -1.718 -11.441 -7.262 182 HE2 GLU 26 HE GLU 26 -0.829 -10.544 -3.999 183 H ARG 27 H ARG 27 -5.024 -10.446 -6.396 184 HA ARG 27 HA ARG 27 -4.854 -12.516 -8.246 185 2HB ARG 27 2HB ARG 27 -7.261 -12.967 -7.502 186 2HG ARG 27 2HG ARG 27 -6.606 -13.079 -4.968 187 2HD ARG 27 2HD ARG 27 -5.529 -14.527 -7.315 188 HE ARG 27 HE ARG 27 -3.567 -13.945 -5.446 189 1HH1 ARG 27 2HH2 ARG 27 -5.244 -16.922 -6.385 190 2HH1 ARG 27 1HH2 ARG 27 -3.909 -17.949 -5.980 191 2HH2 ARG 27 1HH ARG 27 -1.897 -16.973 -5.117 192 H LYS 28 H LYS 28 -6.798 -9.464 -8.089 193 HA LYS 28 HA LYS 28 -8.336 -9.930 -10.361 194 2HB LYS 28 2HB LYS 28 -8.695 -7.474 -10.316 195 2HG LYS 28 2HG LYS 28 -9.258 -7.479 -7.695 196 2HD LYS 28 2HD LYS 28 -10.505 -8.775 -10.051 197 2HE LYS 28 2HE LYS 28 -11.765 -9.453 -7.391 198 1HZ LYS 28 1HZ LYS 28 -12.543 -11.322 -8.840 199 2HZ LYS 28 2HZ LYS 28 -13.030 -9.865 -9.376 200 H ALA 29 H ALA 29 -5.295 -7.969 -9.995 201 HA ALA 29 HA ALA 29 -4.941 -7.293 -12.603 202 1HB ALA 29 1HB ALA 29 -2.904 -8.080 -10.481 203 2HB ALA 29 2HB ALA 29 -2.491 -7.267 -12.010 204 3HB ALA 29 3HB ALA 29 -3.533 -6.450 -10.821 205 H MET 30 H MET 30 -3.814 -10.330 -10.959 206 HA MET 30 HA MET 30 -2.724 -11.403 -13.285 207 2HB MET 30 2HB MET 30 -3.547 -13.545 -11.592 208 2HG MET 30 2HG MET 30 -1.030 -12.389 -10.697 209 1HE MET 30 1HE MET 30 0.788 -15.581 -10.803 210 2HE MET 30 2HE MET 30 0.899 -13.805 -10.768 211 3HE MET 30 3HE MET 30 -0.107 -14.658 -9.572 212 H GLU 31 H GLU 31 -6.013 -11.042 -12.199 213 HA GLU 31 HA GLU 31 -6.984 -13.289 -13.657 214 2HB GLU 31 2HB GLU 31 -9.146 -11.557 -13.106 215 2HG GLU 31 2HG GLU 31 -8.872 -14.086 -12.721 216 HE2 GLU 31 HE GLU 31 -8.330 -12.838 -9.378 217 H ASN 32 H ASN 32 -5.416 -11.851 -15.412 218 HA ASN 32 HA ASN 32 -5.361 -10.731 -17.279 219 2HB ASN 32 2HB ASN 32 -7.566 -11.111 -18.746 220 1HD2 ASN 32 1HD2 ASN 32 -7.838 -14.112 -18.340 221 2HD2 ASN 32 2HD2 ASN 32 -6.384 -14.794 -18.991 222 H ILE 33 H ILE 33 -6.299 -9.179 -14.977 223 HA ILE 33 HA ILE 33 -8.605 -7.734 -15.404 224 HB ILE 33 HB ILE 33 -6.544 -7.798 -13.567 225 2HG1 ILE 33 2HG1 ILE 33 -8.846 -7.579 -12.961 226 1HG2 ILE 33 1HG2 ILE 33 -5.311 -6.117 -14.890 227 2HG2 ILE 33 2HG2 ILE 33 -6.685 -4.998 -14.719 228 3HG2 ILE 33 3HG2 ILE 33 -5.777 -5.520 -13.279 229 1HD1 ILE 33 1HD1 ILE 33 -7.161 -6.527 -11.414 230 2HD1 ILE 33 2HD1 ILE 33 -7.439 -4.970 -12.230 231 3HD1 ILE 33 3HD1 ILE 33 -8.761 -5.753 -11.331 232 H GLU 34 H GLU 34 -9.085 -5.737 -16.425 233 HA GLU 34 HA GLU 34 -7.074 -4.400 -17.887 234 2HB GLU 34 2HB GLU 34 -8.887 -4.977 -19.989 235 2HG GLU 34 2HG GLU 34 -6.035 -5.283 -19.346 236 HE2 GLU 34 HE GLU 34 -6.804 -8.157 -22.023 237 H LYS 35 H LYS 35 -9.162 -3.933 -15.819 238 HA LYS 35 HA LYS 35 -10.413 -2.163 -15.294 239 2HB LYS 35 2HB LYS 35 -10.741 -1.185 -18.097 240 2HG LYS 35 2HG LYS 35 -10.305 -0.028 -15.322 241 2HD LYS 35 2HD LYS 35 -9.614 1.155 -17.982 242 2HE LYS 35 2HE LYS 35 -11.326 2.558 -15.898 243 1HZ LYS 35 1HZ LYS 35 -9.671 4.138 -16.073 244 2HZ LYS 35 2HZ LYS 35 -9.177 3.673 -17.553 245 H SER 36 H SER 36 -11.970 -3.767 -14.692 246 HA SER 36 HA SER 36 -14.335 -3.539 -16.274 247 2HB SER 36 2HB SER 36 -14.545 -6.201 -16.019 248 HG SER 36 HG SER 36 -12.802 -5.533 -18.138 249 H ARG 37 H ARG 37 -12.596 -5.089 -13.510 250 HA ARG 37 HA ARG 37 -14.903 -5.605 -12.046 251 2HB ARG 37 2HB ARG 37 -12.660 -5.141 -10.278 252 2HG ARG 37 2HG ARG 37 -12.645 -7.782 -10.480 253 2HD ARG 37 2HD ARG 37 -14.107 -5.968 -8.930 254 HE ARG 37 HE ARG 37 -16.003 -7.296 -10.619 255 1HH1 ARG 37 2HH2 ARG 37 -15.470 -6.566 -7.194 256 2HH1 ARG 37 1HH2 ARG 37 -17.156 -6.583 -6.799 257 2HH2 ARG 37 1HH ARG 37 -18.760 -7.028 -8.524 258 H ASN 38 H ASN 38 -12.623 -2.825 -12.220 259 HA ASN 38 HA ASN 38 -12.742 -0.779 -11.514 260 2HB ASN 38 2HB ASN 38 -15.208 -0.009 -10.725 261 1HD2 ASN 38 1HD2 ASN 38 -15.341 -1.884 -13.664 262 2HD2 ASN 38 2HD2 ASN 38 -15.100 -0.594 -14.795 263 H THR 39 H THR 39 -12.057 -2.892 -9.635 264 HA THR 39 HA THR 39 -13.442 -2.523 -7.174 265 HB THR 39 HB THR 39 -10.733 -3.763 -7.896 266 HG1 THR 39 1HG THR 39 -12.068 -5.543 -8.262 267 1HG2 THR 39 1HG2 THR 39 -11.612 -3.184 -5.329 268 2HG2 THR 39 2HG2 THR 39 -12.345 -4.782 -5.605 269 3HG2 THR 39 3HG2 THR 39 -10.583 -4.576 -5.741 270 H LEU 40 H LEU 40 -9.905 -2.083 -7.383 271 HA LEU 40 HA LEU 40 -9.736 -0.241 -5.408 272 2HB LEU 40 2HB LEU 40 -7.856 -1.415 -6.427 273 HG LEU 40 HG LEU 40 -6.693 -0.576 -8.369 274 1HD1 LEU 40 1HD1 LEU 40 -9.554 -1.141 -9.180 275 2HD1 LEU 40 2HD1 LEU 40 -8.068 -1.469 -10.104 276 3HD1 LEU 40 3HD1 LEU 40 -8.411 -2.384 -8.616 277 1HD2 LEU 40 1HD2 LEU 40 -8.114 1.748 -8.008 278 2HD2 LEU 40 2HD2 LEU 40 -7.106 1.352 -9.421 279 3HD2 LEU 40 3HD2 LEU 40 -8.862 1.062 -9.470 280 H ASP 41 H ASP 41 -10.858 0.218 -8.732 281 HA ASP 41 HA ASP 41 -10.510 2.954 -8.873 282 2HB ASP 41 2HB ASP 41 -12.837 1.392 -10.076 283 HD2 ASP 41 HD ASP 41 -11.335 4.601 -11.974 284 H PHE 42 H PHE 42 -13.370 0.906 -7.919 285 HA PHE 42 HA PHE 42 -15.072 3.020 -7.307 286 2HB PHE 42 2HB PHE 42 -14.730 0.083 -6.583 287 HD1 PHE 42 1HD PHE 42 -14.757 0.457 -4.075 288 HD2 PHE 42 2HD PHE 42 -18.040 1.457 -6.571 289 HE1 PHE 42 1HE PHE 42 -16.272 0.475 -2.075 290 HE2 PHE 42 2HE PHE 42 -19.556 1.475 -4.570 291 HZ PHE 42 HZ PHE 42 -18.654 0.983 -2.346 292 H VAL 43 H VAL 43 -12.436 1.476 -5.488 293 HA VAL 43 HA VAL 43 -13.278 2.624 -2.990 294 HB VAL 43 HB VAL 43 -11.463 0.617 -3.931 295 1HG1 VAL 43 1HG1 VAL 43 -9.553 1.032 -2.435 296 2HG1 VAL 43 2HG1 VAL 43 -9.697 2.295 -3.680 297 3HG1 VAL 43 3HG1 VAL 43 -10.230 2.623 -2.014 298 1HG2 VAL 43 1HG2 VAL 43 -11.445 0.362 -1.235 299 2HG2 VAL 43 2HG2 VAL 43 -12.885 1.387 -1.441 300 3HG2 VAL 43 3HG2 VAL 43 -12.785 -0.184 -2.271 301 H LYS 44 H LYS 44 -11.430 3.568 -5.807 302 HA LYS 44 HA LYS 44 -9.839 5.507 -4.438 303 2HB LYS 44 2HB LYS 44 -9.658 4.219 -6.841 304 2HG LYS 44 2HG LYS 44 -11.466 5.845 -7.706 305 2HD LYS 44 2HD LYS 44 -9.436 7.734 -6.704 306 2HE LYS 44 2HE LYS 44 -10.067 7.634 -9.629 307 1HZ LYS 44 1HZ LYS 44 -9.618 10.297 -9.062 308 2HZ LYS 44 2HZ LYS 44 -11.005 9.663 -9.637 309 H SER 45 H SER 45 -12.927 5.456 -6.284 310 HA SER 45 HA SER 45 -13.247 8.191 -6.413 311 2HB SER 45 2HB SER 45 -15.367 6.004 -6.224 312 HG SER 45 HG SER 45 -16.567 7.837 -6.110 313 H LEU 46 H LEU 46 -13.818 5.830 -3.807 314 HA LEU 46 HA LEU 46 -15.574 6.984 -2.172 315 2HB LEU 46 2HB LEU 46 -13.342 6.286 -0.552 316 HG LEU 46 HG LEU 46 -15.682 4.564 -1.416 317 1HD1 LEU 46 1HD1 LEU 46 -13.674 4.272 0.829 318 2HD1 LEU 46 2HD1 LEU 46 -15.211 3.377 0.748 319 3HD1 LEU 46 3HD1 LEU 46 -13.984 3.155 -0.522 320 1HD2 LEU 46 1HD2 LEU 46 -16.429 5.279 1.001 321 2HD2 LEU 46 2HD2 LEU 46 -15.395 6.690 0.672 322 3HD2 LEU 46 3HD2 LEU 46 -16.763 6.317 -0.405 323 H LYS 47 H LYS 47 -12.094 7.967 -2.445 324 HA LYS 47 HA LYS 47 -11.112 9.914 -2.080 325 2HB LYS 47 2HB LYS 47 -13.839 11.189 -1.762 326 2HG LYS 47 2HG LYS 47 -11.565 12.492 -3.190 327 2HD LYS 47 2HD LYS 47 -12.452 14.279 -1.352 328 2HE LYS 47 2HE LYS 47 -12.655 14.142 -4.010 329 1HZ LYS 47 1HZ LYS 47 -14.695 13.523 -4.787 330 2HZ LYS 47 2HZ LYS 47 -14.746 12.589 -3.454 331 H SER 48 H SER 48 -10.607 8.478 -0.100 332 HA SER 48 HA SER 48 -11.607 9.879 2.256 333 2HB SER 48 2HB SER 48 -11.106 7.753 3.514 334 HG SER 48 HG SER 48 -13.027 7.927 1.425 335 HA PRO 49 HA PRO 49 -7.397 10.914 2.795 336 2HB PRO 49 2HB PRO 49 -7.945 12.922 3.780 337 2HG PRO 49 2HG PRO 49 -10.098 13.037 4.599 338 2HD PRO 49 2HD PRO 49 -11.118 11.444 3.292 339 H VAL 50 H VAL 50 -5.434 10.404 3.923 340 HA VAL 50 HA VAL 50 -5.715 8.521 6.073 341 HB VAL 50 HB VAL 50 -4.591 7.660 3.401 342 1HG1 VAL 50 1HG1 VAL 50 -4.503 6.410 6.145 343 2HG1 VAL 50 2HG1 VAL 50 -4.447 5.406 4.676 344 3HG1 VAL 50 3HG1 VAL 50 -3.190 6.631 4.965 345 1HG2 VAL 50 1HG2 VAL 50 -7.064 6.814 4.938 346 2HG2 VAL 50 2HG2 VAL 50 -6.981 7.555 3.321 347 3HG2 VAL 50 3HG2 VAL 50 -6.384 5.896 3.573 348 H ARG 51 H ARG 51 -3.541 7.958 6.992 349 HA ARG 51 HA ARG 51 -1.363 9.493 5.992 350 2HB ARG 51 2HB ARG 51 -2.242 10.052 8.858 351 2HG ARG 51 2HG ARG 51 -0.266 11.265 6.894 352 2HD ARG 51 2HD ARG 51 -1.787 12.601 9.118 353 HE ARG 51 HE ARG 51 0.891 12.374 9.562 354 1HH1 ARG 51 2HH2 ARG 51 -1.031 15.106 8.382 355 2HH1 ARG 51 1HH2 ARG 51 0.039 16.301 9.034 356 2HH2 ARG 51 1HH ARG 51 1.994 15.599 10.230 357 H ILE 52 H ILE 52 0.644 8.610 6.702 358 HA ILE 52 HA ILE 52 0.789 6.952 9.002 359 HB ILE 52 HB ILE 52 1.591 5.051 7.190 360 2HG1 ILE 52 2HG1 ILE 52 0.333 6.564 5.477 361 1HG2 ILE 52 1HG2 ILE 52 0.135 5.075 9.398 362 2HG2 ILE 52 2HG2 ILE 52 -1.207 4.955 8.235 363 3HG2 ILE 52 3HG2 ILE 52 0.070 3.715 8.251 364 1HD1 ILE 52 1HD1 ILE 52 -0.871 3.952 5.090 365 2HD1 ILE 52 2HD1 ILE 52 0.495 4.689 4.220 366 3HD1 ILE 52 3HD1 ILE 52 0.787 3.760 5.709 367 H LEU 53 H LEU 53 2.987 6.431 9.523 368 HA LEU 53 HA LEU 53 4.860 8.048 7.966 369 2HB LEU 53 2HB LEU 53 4.754 7.125 10.820 370 HG LEU 53 HG LEU 53 7.175 8.106 9.320 371 1HD1 LEU 53 1HD1 LEU 53 7.736 8.318 12.066 372 2HD1 LEU 53 2HD1 LEU 53 7.629 9.629 10.866 373 3HD1 LEU 53 3HD1 LEU 53 6.194 9.170 11.814 374 1HD2 LEU 53 1HD2 LEU 53 7.632 5.929 9.648 375 2HD2 LEU 53 2HD2 LEU 53 8.053 6.460 11.294 376 3HD2 LEU 53 3HD2 LEU 53 6.446 5.766 10.966 377 H CYS 54 H CYS 54 6.758 7.180 7.093 378 HA CYS 54 HA CYS 54 6.824 4.251 7.140 379 2HB CYS 54 2HB CYS 54 7.916 6.019 4.934 380 HG CYS 54 HG CYS 54 8.756 3.370 5.658 381 H ARG 55 H ARG 55 8.834 3.263 7.629 382 HA ARG 55 HA ARG 55 10.929 5.160 8.332 383 2HB ARG 55 2HB ARG 55 11.637 3.352 10.029 384 2HG ARG 55 2HG ARG 55 8.989 3.902 11.058 385 2HD ARG 55 2HD ARG 55 10.965 5.871 11.846 386 HE ARG 55 HE ARG 55 9.315 3.857 13.094 387 1HH1 ARG 55 2HH2 ARG 55 12.253 5.759 13.640 388 2HH1 ARG 55 1HH2 ARG 55 12.127 5.690 15.365 389 2HH2 ARG 55 1HH ARG 55 10.292 4.514 16.362 390 H ARG 56 H ARG 56 13.049 3.378 8.787 391 HA ARG 56 HA ARG 56 14.008 2.939 6.309 392 2HB ARG 56 2HB ARG 56 15.387 1.032 7.695 393 2HG ARG 56 2HG ARG 56 15.724 3.923 8.538 394 2HD ARG 56 2HD ARG 56 18.151 3.075 7.688 395 HE ARG 56 HE ARG 56 16.836 2.928 10.319 396 1HH1 ARG 56 2HH2 ARG 56 19.880 2.571 8.542 397 2HH1 ARG 56 1HH2 ARG 56 20.869 2.789 9.946 398 2HH2 ARG 56 1HH ARG 56 19.825 3.168 12.070 399 H GLY 57 H GLY 57 14.039 1.195 4.817 400 1HA GLY 57 1HA GLY 57 11.875 -0.445 4.558 401 2HA GLY 57 2HA GLY 57 13.452 -0.758 3.860 402 H ASP 58 H ASP 58 14.591 -0.782 6.777 403 HA ASP 58 HA ASP 58 14.528 -3.545 7.036 404 2HB ASP 58 2HB ASP 58 15.367 -1.289 8.900 405 HD2 ASP 58 HD ASP 58 14.891 -2.803 11.314 406 H THR 59 H THR 59 13.615 -1.195 9.655 407 HA THR 59 HA THR 59 11.875 -2.980 10.932 408 HB THR 59 HB THR 59 13.109 -0.558 11.485 409 HG1 THR 59 1HG THR 59 12.351 -1.310 13.437 410 1HG2 THR 59 1HG2 THR 59 11.518 1.148 11.794 411 2HG2 THR 59 2HG2 THR 59 10.932 0.442 10.270 412 3HG2 THR 59 3HG2 THR 59 10.154 0.005 11.811 413 H LEU 60 H LEU 60 11.503 -1.471 7.937 414 HA LEU 60 HA LEU 60 8.944 -0.543 7.892 415 2HB LEU 60 2HB LEU 60 10.273 -2.225 5.764 416 HG LEU 60 HG LEU 60 7.769 -1.223 5.592 417 1HD1 LEU 60 1HD1 LEU 60 9.377 1.099 5.661 418 2HD1 LEU 60 2HD1 LEU 60 8.818 0.909 3.981 419 3HD1 LEU 60 3HD1 LEU 60 7.637 0.972 5.310 420 1HD2 LEU 60 1HD2 LEU 60 8.686 -2.654 3.928 421 2HD2 LEU 60 2HD2 LEU 60 8.146 -1.172 3.104 422 3HD2 LEU 60 3HD2 LEU 60 9.877 -1.428 3.431 423 H ASP 61 H ASP 61 10.096 -3.950 7.888 424 HA ASP 61 HA ASP 61 7.758 -5.182 7.287 425 2HB ASP 61 2HB ASP 61 9.927 -6.342 7.610 426 HD2 ASP 61 HD ASP 61 10.454 -7.485 10.973 427 H GLU 62 H GLU 62 9.059 -4.145 10.524 428 HA GLU 62 HA GLU 62 6.732 -4.994 11.881 429 2HB GLU 62 2HB GLU 62 9.255 -3.519 12.594 430 2HG GLU 62 2HG GLU 62 6.624 -3.270 14.001 431 HE2 GLU 62 HE GLU 62 8.530 -2.052 16.081 432 H ILE 63 H ILE 63 7.917 -1.948 10.437 433 HA ILE 63 HA ILE 63 6.076 -0.239 11.675 434 HB ILE 63 HB ILE 63 8.139 -0.118 9.699 435 2HG1 ILE 63 2HG1 ILE 63 6.778 2.213 11.051 436 1HG2 ILE 63 1HG2 ILE 63 7.266 1.558 8.189 437 2HG2 ILE 63 2HG2 ILE 63 6.282 0.079 8.079 438 3HG2 ILE 63 3HG2 ILE 63 5.672 1.488 8.980 439 1HD1 ILE 63 1HD1 ILE 63 7.211 1.232 13.051 440 2HD1 ILE 63 2HD1 ILE 63 8.059 -0.126 12.275 441 3HD1 ILE 63 3HD1 ILE 63 8.937 1.378 12.641 442 H ILE 64 H ILE 64 5.775 -2.646 9.143 443 HA ILE 64 HA ILE 64 3.540 -1.552 7.838 444 HB ILE 64 HB ILE 64 4.759 -4.284 8.052 445 2HG1 ILE 64 2HG1 ILE 64 5.458 -2.123 6.568 446 1HG2 ILE 64 1HG2 ILE 64 2.041 -3.585 7.082 447 2HG2 ILE 64 2HG2 ILE 64 3.014 -4.656 6.045 448 3HG2 ILE 64 3HG2 ILE 64 2.679 -5.115 7.732 449 1HD1 ILE 64 1HD1 ILE 64 5.908 -5.009 6.528 450 2HD1 ILE 64 2HD1 ILE 64 5.980 -4.333 4.883 451 3HD1 ILE 64 3HD1 ILE 64 7.044 -3.689 6.157 452 H LYS 65 H LYS 65 3.900 -3.884 10.581 453 HA LYS 65 HA LYS 65 1.118 -4.234 10.893 454 2HB LYS 65 2HB LYS 65 2.870 -5.833 11.646 455 2HG LYS 65 2HG LYS 65 3.644 -3.478 13.266 456 2HD LYS 65 2HD LYS 65 3.640 -6.219 14.603 457 2HE LYS 65 2HE LYS 65 4.046 -3.482 15.867 458 1HZ LYS 65 1HZ LYS 65 4.379 -4.744 17.679 459 2HZ LYS 65 2HZ LYS 65 3.871 -6.056 16.860 460 H ARG 66 H ARG 66 3.504 -1.870 12.086 461 HA ARG 66 HA ARG 66 1.776 -0.851 14.058 462 2HB ARG 66 2HB ARG 66 3.467 1.115 13.988 463 2HG ARG 66 2HG ARG 66 5.243 -1.210 14.216 464 2HD ARG 66 2HD ARG 66 4.949 1.171 15.516 465 HE ARG 66 HE ARG 66 2.922 -0.369 16.712 466 1HH1 ARG 66 2HH2 ARG 66 5.848 1.302 17.803 467 2HH1 ARG 66 1HH2 ARG 66 5.232 1.607 19.393 468 2HH2 ARG 66 1HH ARG 66 3.030 0.850 19.961 469 H LEU 67 H LEU 67 2.470 -0.172 10.616 470 HA LEU 67 HA LEU 67 1.106 2.319 10.566 471 2HB LEU 67 2HB LEU 67 1.181 1.777 8.030 472 HG LEU 67 HG LEU 67 3.816 1.938 9.520 473 1HD1 LEU 67 1HD1 LEU 67 4.365 3.243 7.310 474 2HD1 LEU 67 2HD1 LEU 67 4.453 1.466 7.363 475 3HD1 LEU 67 3HD1 LEU 67 3.034 2.264 6.646 476 1HD2 LEU 67 1HD2 LEU 67 1.669 3.797 9.466 477 2HD2 LEU 67 2HD2 LEU 67 3.301 3.999 10.147 478 3HD2 LEU 67 3HD2 LEU 67 2.979 4.456 8.458 479 H LEU 68 H LEU 68 0.255 -1.101 9.795 480 HA LEU 68 HA LEU 68 -2.188 -0.735 8.664 481 2HB LEU 68 2HB LEU 68 -0.753 -2.851 9.320 482 HG LEU 68 HG LEU 68 -1.529 -2.609 11.797 483 1HD1 LEU 68 1HD1 LEU 68 -3.814 -2.324 11.746 484 2HD1 LEU 68 2HD1 LEU 68 -4.044 -3.489 10.418 485 3HD1 LEU 68 3HD1 LEU 68 -3.679 -4.071 12.061 486 1HD2 LEU 68 1HD2 LEU 68 -0.834 -4.807 10.142 487 2HD2 LEU 68 2HD2 LEU 68 -0.614 -4.623 11.899 488 3HD2 LEU 68 3HD2 LEU 68 -2.104 -5.358 11.260 489 H GLU 69 H GLU 69 -1.333 -0.678 12.170 490 HA GLU 69 HA GLU 69 -3.886 -0.522 13.140 491 2HB GLU 69 2HB GLU 69 -2.881 0.358 15.176 492 2HG GLU 69 2HG GLU 69 -0.458 -1.071 14.556 493 HE2 GLU 69 HE GLU 69 -3.072 -3.119 14.958 494 H GLU 70 H GLU 70 -1.989 1.841 11.371 495 HA GLU 70 HA GLU 70 -3.719 3.984 12.239 496 2HB GLU 70 2HB GLU 70 -2.189 5.454 11.014 497 2HG GLU 70 2HG GLU 70 0.085 4.366 12.001 498 HE2 GLU 70 HE GLU 70 -0.926 7.290 13.194 499 H SER 71 H SER 71 -2.857 2.068 9.311 500 HA SER 71 HA SER 71 -4.776 3.518 7.759 501 2HB SER 71 2HB SER 71 -3.613 2.712 5.987 502 HG SER 71 HG SER 71 -1.603 1.394 6.670 503 H ASN 72 H ASN 72 -4.237 -0.022 8.454 504 HA ASN 72 HA ASN 72 -6.502 -1.044 7.603 505 2HB ASN 72 2HB ASN 72 -5.900 -1.951 10.381 506 1HD2 ASN 72 1HD2 ASN 72 -5.909 -4.159 10.498 507 2HD2 ASN 72 2HD2 ASN 72 -6.368 -5.196 9.189 508 H LYS 73 H LYS 73 -6.047 1.076 10.429 509 HA LYS 73 HA LYS 73 -8.408 0.550 11.796 510 2HB LYS 73 2HB LYS 73 -7.685 3.325 12.001 511 2HG LYS 73 2HG LYS 73 -6.600 2.022 14.182 512 2HD LYS 73 2HD LYS 73 -8.580 3.762 13.892 513 2HE LYS 73 2HE LYS 73 -10.372 1.569 14.785 514 1HZ LYS 73 1HZ LYS 73 -11.897 2.866 13.410 515 2HZ LYS 73 2HZ LYS 73 -11.085 3.875 14.397 516 H GLU 74 H GLU 74 -7.684 3.079 9.291 517 HA GLU 74 HA GLU 74 -10.472 3.696 9.160 518 2HB GLU 74 2HB GLU 74 -8.580 5.395 8.943 519 2HG GLU 74 2HG GLU 74 -7.331 3.833 7.249 520 HE2 GLU 74 HE GLU 74 -9.489 5.435 4.284 521 H GLY 75 H GLY 75 -8.802 1.091 8.122 522 1HA GLY 75 1HA GLY 75 -10.345 0.897 5.603 523 2HA GLY 75 2HA GLY 75 -8.710 0.288 5.772 524 H ILE 76 H ILE 76 -10.059 -1.724 5.010 525 HA ILE 76 HA ILE 76 -11.444 -2.986 7.232 526 HB ILE 76 HB ILE 76 -11.262 -3.413 4.287 527 2HG1 ILE 76 2HG1 ILE 76 -13.648 -3.385 4.401 528 1HG2 ILE 76 1HG2 ILE 76 -12.255 -5.619 4.443 529 2HG2 ILE 76 2HG2 ILE 76 -10.671 -5.602 5.255 530 3HG2 ILE 76 3HG2 ILE 76 -12.167 -5.565 6.219 531 1HD1 ILE 76 1HD1 ILE 76 -14.591 -4.383 6.219 532 2HD1 ILE 76 2HD1 ILE 76 -13.153 -4.099 7.227 533 3HD1 ILE 76 3HD1 ILE 76 -14.366 -2.812 7.026 534 H HIS 77 H HIS 77 -10.906 -5.342 7.695 535 HA HIS 77 HA HIS 77 -8.369 -5.554 8.640 536 2HB HIS 77 2HB HIS 77 -10.118 -7.858 7.740 537 HD1 HIS 77 1HD HIS 77 -7.356 -8.737 7.615 538 HD2 HIS 77 2HD HIS 77 -9.248 -8.257 11.328 539 HE1 HIS 77 1HE HIS 77 -6.030 -10.143 9.281 540 H VAL 78 H VAL 78 -6.630 -5.059 7.330 541 HA VAL 78 HA VAL 78 -6.184 -6.937 5.132 542 HB VAL 78 HB VAL 78 -6.164 -3.935 5.037 543 1HG1 VAL 78 1HG1 VAL 78 -4.076 -4.145 4.124 544 2HG1 VAL 78 2HG1 VAL 78 -4.353 -5.822 3.592 545 3HG1 VAL 78 3HG1 VAL 78 -5.052 -4.468 2.670 546 1HG2 VAL 78 1HG2 VAL 78 -8.007 -4.296 3.836 547 2HG2 VAL 78 2HG2 VAL 78 -7.012 -5.122 2.611 548 3HG2 VAL 78 3HG2 VAL 78 -7.766 -6.057 3.926 549 H ILE 79 H ILE 79 -3.989 -7.508 4.824 550 HA ILE 79 HA ILE 79 -2.208 -6.462 6.916 551 HB ILE 79 HB ILE 79 -1.120 -8.703 6.834 552 2HG1 ILE 79 2HG1 ILE 79 -2.193 -9.247 4.552 553 1HG2 ILE 79 1HG2 ILE 79 -2.378 -9.401 8.572 554 2HG2 ILE 79 2HG2 ILE 79 -3.164 -7.819 8.360 555 3HG2 ILE 79 3HG2 ILE 79 -3.905 -9.279 7.664 556 1HD1 ILE 79 1HD1 ILE 79 -0.828 -10.882 5.766 557 2HD1 ILE 79 2HD1 ILE 79 -2.189 -11.256 6.850 558 3HD1 ILE 79 3HD1 ILE 79 -2.278 -11.694 5.128 559 H HIS 80 H HIS 80 -2.312 -4.935 4.711 560 HA HIS 80 HA HIS 80 -0.407 -5.941 2.791 561 2HB HIS 80 2HB HIS 80 -0.826 -3.653 1.745 562 HD1 HIS 80 1HD HIS 80 -1.872 -6.907 1.816 563 HD2 HIS 80 2HD HIS 80 -3.900 -3.395 0.746 564 HE1 HIS 80 1HE HIS 80 -3.799 -7.626 0.306 565 H ASP 81 H ASP 81 1.434 -4.363 2.127 566 HA ASP 81 HA ASP 81 2.587 -3.346 4.603 567 2HB ASP 81 2HB ASP 81 4.814 -3.733 3.401 568 HD2 ASP 81 HD ASP 81 5.645 -6.072 3.115 569 H SER 82 H SER 82 4.230 -1.481 4.156 570 HA SER 82 HA SER 82 2.964 0.532 2.782 571 2HB SER 82 2HB SER 82 4.879 1.874 3.303 572 HG SER 82 HG SER 82 3.886 0.195 5.139 573 H ILE 83 H ILE 83 5.362 -1.893 1.757 574 HA ILE 83 HA ILE 83 6.109 -0.567 -0.633 575 HB ILE 83 HB ILE 83 6.283 -3.512 -0.010 576 2HG1 ILE 83 2HG1 ILE 83 7.213 -2.474 1.903 577 1HG2 ILE 83 1HG2 ILE 83 7.419 -3.684 -1.906 578 2HG2 ILE 83 2HG2 ILE 83 7.020 -1.986 -2.265 579 3HG2 ILE 83 3HG2 ILE 83 8.528 -2.384 -1.408 580 1HD1 ILE 83 1HD1 ILE 83 8.836 -3.868 0.046 581 2HD1 ILE 83 2HD1 ILE 83 9.825 -2.499 0.607 582 3HD1 ILE 83 3HD1 ILE 83 9.146 -3.648 1.785 583 H THR 84 H THR 84 3.590 -2.957 0.291 584 HA THR 84 HA THR 84 2.742 -3.357 -2.411 585 HB THR 84 HB THR 84 2.131 -4.319 0.327 586 HG1 THR 84 1HG THR 84 3.013 -5.765 -1.173 587 1HG2 THR 84 1HG2 THR 84 -0.130 -5.190 -0.375 588 2HG2 THR 84 2HG2 THR 84 -0.129 -3.423 -0.163 589 3HG2 THR 84 3HG2 THR 84 -0.067 -4.124 -1.799 590 H LEU 85 H LEU 85 1.878 -1.150 0.257 591 HA LEU 85 HA LEU 85 -0.543 -0.272 -0.808 592 2HB LEU 85 2HB LEU 85 0.290 1.878 0.545 593 HG LEU 85 HG LEU 85 -1.567 0.673 1.405 594 1HD1 LEU 85 1HD1 LEU 85 0.107 -1.572 2.476 595 2HD1 LEU 85 2HD1 LEU 85 -1.629 -1.525 2.085 596 3HD1 LEU 85 3HD1 LEU 85 -0.423 -1.598 0.776 597 1HD2 LEU 85 1HD2 LEU 85 -0.801 1.909 3.177 598 2HD2 LEU 85 2HD2 LEU 85 -0.754 0.274 3.878 599 3HD2 LEU 85 3HD2 LEU 85 0.742 1.027 3.276 600 H ALA 86 H ALA 86 2.863 0.632 -1.463 601 HA ALA 86 HA ALA 86 2.312 2.932 -2.951 602 1HB ALA 86 1HB ALA 86 4.592 2.836 -3.536 603 2HB ALA 86 2HB ALA 86 4.529 1.998 -1.967 604 3HB ALA 86 3HB ALA 86 4.628 1.057 -3.474 605 H PHE 87 H PHE 87 2.688 -0.545 -3.888 606 HA PHE 87 HA PHE 87 2.284 -0.022 -6.637 607 2HB PHE 87 2HB PHE 87 1.541 -2.684 -5.480 608 HD1 PHE 87 1HD PHE 87 4.940 -1.819 -6.543 609 HD2 PHE 87 2HD PHE 87 1.169 -3.320 -7.782 610 HE1 PHE 87 1HE PHE 87 5.967 -2.632 -8.684 611 HE2 PHE 87 2HE PHE 87 2.196 -4.132 -9.924 612 HZ PHE 87 HZ PHE 87 4.583 -3.779 -10.348 613 H LEU 88 H LEU 88 0.175 -1.350 -3.996 614 HA LEU 88 HA LEU 88 -2.060 -1.779 -5.573 615 2HB LEU 88 2HB LEU 88 -3.181 -1.281 -3.210 616 HG LEU 88 HG LEU 88 -3.230 -3.519 -3.945 617 1HD1 LEU 88 1HD1 LEU 88 -1.113 -4.948 -3.887 618 2HD1 LEU 88 2HD1 LEU 88 -1.272 -3.773 -5.214 619 3HD1 LEU 88 3HD1 LEU 88 -0.216 -3.412 -3.827 620 1HD2 LEU 88 1HD2 LEU 88 -1.849 -3.117 -1.315 621 2HD2 LEU 88 2HD2 LEU 88 -3.506 -3.664 -1.667 622 3HD2 LEU 88 3HD2 LEU 88 -2.132 -4.768 -1.918 623 H ILE 89 H ILE 89 -1.082 1.135 -3.653 624 HA ILE 89 HA ILE 89 -3.324 2.648 -4.328 625 HB ILE 89 HB ILE 89 -0.531 3.390 -3.477 626 2HG1 ILE 89 2HG1 ILE 89 -2.137 2.076 -1.954 627 1HG2 ILE 89 1HG2 ILE 89 -1.458 5.258 -4.738 628 2HG2 ILE 89 2HG2 ILE 89 -2.942 5.204 -3.758 629 3HG2 ILE 89 3HG2 ILE 89 -1.391 5.637 -3.001 630 1HD1 ILE 89 1HD1 ILE 89 -1.365 4.761 -0.790 631 2HD1 ILE 89 2HD1 ILE 89 -1.247 3.144 -0.054 632 3HD1 ILE 89 3HD1 ILE 89 -0.102 3.628 -1.328 633 H ARG 90 H ARG 90 -0.026 2.469 -5.824 634 HA ARG 90 HA ARG 90 -0.148 4.333 -7.658 635 2HB ARG 90 2HB ARG 90 0.724 2.068 -9.151 636 2HG ARG 90 2HG ARG 90 2.581 3.459 -7.228 637 2HD ARG 90 2HD ARG 90 2.963 3.473 -10.193 638 HE ARG 90 HE ARG 90 5.009 3.955 -9.163 639 1HH1 ARG 90 2HH2 ARG 90 3.540 1.174 -7.532 640 2HH1 ARG 90 1HH2 ARG 90 4.935 0.851 -6.557 641 2HH2 ARG 90 1HH ARG 90 6.869 2.248 -6.777 642 H GLU 91 H GLU 91 -2.058 1.310 -7.647 643 HA GLU 91 HA GLU 91 -2.944 1.546 -10.298 644 2HB GLU 91 2HB GLU 91 -4.887 0.081 -8.873 645 2HG GLU 91 2HG GLU 91 -2.843 -1.730 -9.575 646 HE2 GLU 91 HE GLU 91 -6.061 -0.859 -11.841 647 H LYS 92 H LYS 92 -4.333 2.472 -7.086 648 HA LYS 92 HA LYS 92 -6.579 3.724 -8.430 649 2HB LYS 92 2HB LYS 92 -7.025 2.366 -6.458 650 2HG LYS 92 2HG LYS 92 -6.046 4.150 -4.407 651 2HD LYS 92 2HD LYS 92 -4.804 1.454 -4.863 652 2HE LYS 92 2HE LYS 92 -4.876 3.094 -2.715 653 1HZ LYS 92 1HZ LYS 92 -6.857 1.411 -1.622 654 2HZ LYS 92 2HZ LYS 92 -6.846 3.040 -1.667 655 H ALA 93 H ALA 93 -3.407 4.502 -7.972 656 HA ALA 93 HA ALA 93 -3.894 7.260 -8.376 657 1HB ALA 93 1HB ALA 93 -3.663 8.128 -6.310 658 2HB ALA 93 2HB ALA 93 -3.898 6.478 -5.686 659 3HB ALA 93 3HB ALA 93 -2.253 7.100 -5.962 660 H SER 94 H SER 94 -2.691 6.396 -10.268 661 HA SER 94 HA SER 94 -0.030 5.512 -9.784 662 2HB SER 94 2HB SER 94 -1.603 6.169 -12.306 663 HG SER 94 HG SER 94 0.930 4.811 -12.296 664 H HIS 95 H HIS 95 -1.364 8.449 -9.336 665 HA HIS 95 HA HIS 95 0.569 9.999 -10.822 666 2HB HIS 95 2HB HIS 95 -0.729 11.812 -9.294 667 HD1 HIS 95 1HD HIS 95 -0.750 13.361 -11.268 668 HD2 HIS 95 2HD HIS 95 -2.639 9.707 -12.092 669 HE1 HIS 95 1HE HIS 95 -1.755 13.586 -13.603 670 H ARG 96 H ARG 96 -0.481 10.598 -7.437 671 HA ARG 96 HA ARG 96 2.339 10.696 -6.772 672 2HB ARG 96 2HB ARG 96 1.721 12.170 -4.948 673 2HG ARG 96 2HG ARG 96 -0.368 13.117 -6.865 674 2HD ARG 96 2HD ARG 96 1.696 14.201 -5.101 675 HE ARG 96 HE ARG 96 3.061 14.876 -6.923 676 1HH1 ARG 96 2HH2 ARG 96 -0.321 15.755 -7.506 677 2HH1 ARG 96 1HH2 ARG 96 0.050 16.800 -8.836 678 2HH2 ARG 96 1HH ARG 96 2.333 17.081 -9.507 679 H ILE 97 H ILE 97 3.108 8.826 -5.833 680 HA ILE 97 HA ILE 97 1.271 7.410 -4.030 681 HB ILE 97 HB ILE 97 3.564 6.101 -5.450 682 2HG1 ILE 97 2HG1 ILE 97 1.196 7.209 -6.711 683 1HG2 ILE 97 1HG2 ILE 97 2.857 4.459 -4.113 684 2HG2 ILE 97 2HG2 ILE 97 1.326 5.288 -3.743 685 3HG2 ILE 97 3HG2 ILE 97 1.479 4.320 -5.229 686 1HD1 ILE 97 1HD1 ILE 97 3.459 7.389 -7.650 687 2HD1 ILE 97 2HD1 ILE 97 3.609 5.616 -7.694 688 3HD1 ILE 97 3HD1 ILE 97 2.436 6.436 -8.752 689 H VAL 98 H VAL 98 2.652 5.983 -2.406 690 HA VAL 98 HA VAL 98 4.497 7.873 -1.175 691 HB VAL 98 HB VAL 98 2.780 7.199 0.272 692 1HG1 VAL 98 1HG1 VAL 98 3.208 4.469 -0.905 693 2HG1 VAL 98 2HG1 VAL 98 2.519 4.622 0.728 694 3HG1 VAL 98 3HG1 VAL 98 1.698 5.379 -0.658 695 1HG2 VAL 98 1HG2 VAL 98 5.404 6.741 0.897 696 2HG2 VAL 98 2HG2 VAL 98 4.054 6.667 2.055 697 3HG2 VAL 98 3HG2 VAL 98 4.665 5.173 1.303 698 H HIS 99 H HIS 99 6.629 7.275 -0.534 699 HA HIS 99 HA HIS 99 7.604 4.927 -1.989 700 2HB HIS 99 2HB HIS 99 9.795 6.557 -1.413 701 HD1 HIS 99 1HD HIS 99 10.814 7.565 -3.760 702 HD2 HIS 99 2HD HIS 99 7.504 5.006 -4.055 703 HE1 HIS 99 1HE HIS 99 10.741 6.767 -6.183 704 H ARG 100 H ARG 100 10.120 4.666 -0.797 705 HA ARG 100 HA ARG 100 10.031 4.833 1.967 706 2HB ARG 100 2HB ARG 100 8.479 3.078 2.188 707 2HG ARG 100 2HG ARG 100 9.308 0.955 0.507 708 2HD ARG 100 2HD ARG 100 6.965 2.516 1.042 709 HE ARG 100 HE ARG 100 6.505 3.449 -1.037 710 1HH1 ARG 100 2HH2 ARG 100 8.544 0.599 -1.555 711 2HH1 ARG 100 1HH2 ARG 100 8.557 0.767 -3.279 712 2HH2 ARG 100 1HH ARG 100 7.363 2.582 -4.290 713 H VAL 101 H VAL 101 12.197 4.914 2.497 714 HA VAL 101 HA VAL 101 14.011 3.206 0.951 715 HB VAL 101 HB VAL 101 13.990 5.571 0.142 716 1HG1 VAL 101 1HG1 VAL 101 15.619 6.673 2.263 717 2HG1 VAL 101 2HG1 VAL 101 14.125 7.310 1.533 718 3HG1 VAL 101 3HG1 VAL 101 14.033 6.169 2.897 719 1HG2 VAL 101 1HG2 VAL 101 16.406 5.770 0.011 720 2HG2 VAL 101 2HG2 VAL 101 16.605 4.689 1.410 721 3HG2 VAL 101 3HG2 VAL 101 15.945 4.056 -0.117 722 H VAL 102 H VAL 102 15.871 2.460 2.120 723 HA VAL 102 HA VAL 102 15.413 2.518 5.001 724 HB VAL 102 HB VAL 102 15.540 0.364 3.811 725 1HG1 VAL 102 1HG1 VAL 102 17.634 1.531 2.406 726 2HG1 VAL 102 2HG1 VAL 102 18.443 0.351 3.466 727 3HG1 VAL 102 3HG1 VAL 102 17.156 -0.183 2.359 728 1HG2 VAL 102 1HG2 VAL 102 16.976 1.157 6.162 729 2HG2 VAL 102 2HG2 VAL 102 16.207 -0.405 5.793 730 3HG2 VAL 102 3HG2 VAL 102 17.901 -0.115 5.328 731 H LYS 103 H LYS 103 16.199 4.685 5.369 732 HA LYS 103 HA LYS 103 19.007 4.726 5.817 733 2HB LYS 103 2HB LYS 103 18.170 6.931 3.980 734 2HG LYS 103 2HG LYS 103 20.623 5.720 5.084 735 2HD LYS 103 2HD LYS 103 20.460 6.340 2.097 736 2HE LYS 103 2HE LYS 103 22.910 5.613 3.769 737 1HZ LYS 103 1HZ LYS 103 22.385 6.078 0.933 738 2HZ LYS 103 2HZ LYS 103 23.783 6.680 1.514 739 H SER 104 H SER 104 16.046 6.776 5.359 740 HA SER 104 HA SER 104 16.495 7.693 8.078 741 2HB SER 104 2HB SER 104 15.697 9.525 5.775 742 HG SER 104 HG SER 104 16.525 11.069 7.600 743 H ASP 105 H ASP 105 14.338 9.115 8.686 744 HA ASP 105 HA ASP 105 12.187 7.291 8.065 745 2HB ASP 105 2HB ASP 105 12.388 9.558 10.104 746 HD2 ASP 105 HD ASP 105 10.640 7.988 12.049 747 H PHE 106 H PHE 106 10.109 8.108 7.260 748 HA PHE 106 HA PHE 106 9.920 10.917 6.635 749 2HB PHE 106 2HB PHE 106 9.294 9.194 4.303 750 HD1 PHE 106 1HD PHE 106 8.751 12.010 4.751 751 HD2 PHE 106 2HD PHE 106 12.269 10.157 3.268 752 HE1 PHE 106 1HE PHE 106 9.345 14.118 3.525 753 HE2 PHE 106 2HE PHE 106 12.863 12.265 2.042 754 HZ PHE 106 HZ PHE 106 11.394 14.220 2.185 755 H GLU 107 H GLU 107 7.782 11.609 6.544 756 HA GLU 107 HA GLU 107 5.850 9.495 7.027 757 2HB GLU 107 2HB GLU 107 4.402 11.379 7.876 758 2HG GLU 107 2HG GLU 107 7.183 11.352 9.134 759 HE2 GLU 107 HE GLU 107 6.755 11.397 11.535 760 H ILE 108 H ILE 108 3.922 9.310 5.784 761 HA ILE 108 HA ILE 108 3.724 11.117 3.493 762 HB ILE 108 HB ILE 108 3.229 8.225 3.027 763 2HG1 ILE 108 2HG1 ILE 108 5.925 9.408 3.566 764 1HG2 ILE 108 1HG2 ILE 108 2.715 9.944 1.334 765 2HG2 ILE 108 2HG2 ILE 108 4.432 10.414 1.310 766 3HG2 ILE 108 3HG2 ILE 108 3.946 8.784 0.782 767 1HD1 ILE 108 1HD1 ILE 108 6.244 7.453 4.772 768 2HD1 ILE 108 2HD1 ILE 108 4.472 7.572 4.896 769 3HD1 ILE 108 3HD1 ILE 108 5.210 6.492 3.688 770 H GLY 109 H GLY 109 1.624 11.663 2.940 771 1HA GLY 109 1HA GLY 109 -0.583 10.128 4.055 772 2HA GLY 109 2HA GLY 109 -0.377 11.747 4.693 773 H VAL 110 H VAL 110 -2.624 10.699 3.077 774 HA VAL 110 HA VAL 110 -2.468 12.686 0.943 775 HB VAL 110 HB VAL 110 -2.255 9.931 0.503 776 1HG1 VAL 110 1HG1 VAL 110 -4.764 9.913 0.971 777 2HG1 VAL 110 2HG1 VAL 110 -4.948 10.845 -0.532 778 3HG1 VAL 110 3HG1 VAL 110 -4.236 9.214 -0.578 779 1HG2 VAL 110 1HG2 VAL 110 -1.613 12.060 -0.872 780 2HG2 VAL 110 2HG2 VAL 110 -1.981 10.541 -1.722 781 3HG2 VAL 110 3HG2 VAL 110 -3.206 11.829 -1.630 782 H THR 111 H THR 111 -4.824 12.947 -0.018 783 HA THR 111 HA THR 111 -6.696 12.789 2.253 784 HB THR 111 HB THR 111 -7.620 14.952 1.100 785 HG1 THR 111 1HG THR 111 -5.983 14.269 -0.736 786 1HG2 THR 111 1HG2 THR 111 -5.044 15.961 1.856 787 2HG2 THR 111 2HG2 THR 111 -6.528 15.953 2.839 788 3HG2 THR 111 3HG2 THR 111 -5.389 14.589 2.935 789 H ARG 112 H ARG 112 -6.069 12.272 -1.186 790 HA ARG 112 HA ARG 112 -8.508 10.763 -1.254 791 2HB ARG 112 2HB ARG 112 -9.674 12.129 -2.659 792 2HG ARG 112 2HG ARG 112 -7.307 13.940 -2.039 793 2HD ARG 112 2HD ARG 112 -8.780 14.329 -4.306 794 HE ARG 112 HE ARG 112 -10.924 14.965 -3.643 795 1HH1 ARG 112 2HH2 ARG 112 -8.611 16.222 -1.271 796 2HH1 ARG 112 1HH2 ARG 112 -9.813 17.090 -0.375 797 2HH2 ARG 112 1HH ARG 112 -12.098 17.010 -1.093 798 H ASP 113 H ASP 113 -5.609 12.020 -3.025 799 HA ASP 113 HA ASP 113 -4.303 9.795 -3.431 800 2HB ASP 113 2HB ASP 113 -5.266 9.494 -6.035 801 HD2 ASP 113 HD ASP 113 -4.855 6.651 -3.563 802 H GLY 114 H GLY 114 -5.634 12.794 -4.671 803 1HA GLY 114 1HA GLY 114 -3.801 13.200 -6.827 804 2HA GLY 114 2HA GLY 114 -4.872 14.377 -6.094 805 H GLU 115 H GLU 115 -4.217 15.294 -3.910 806 HA GLU 115 HA GLU 115 -1.463 15.980 -4.067 807 2HB GLU 115 2HB GLU 115 -3.682 16.760 -2.130 808 2HG GLU 115 2HG GLU 115 -0.750 17.506 -2.253 809 HE2 GLU 115 HE GLU 115 -1.100 20.780 -1.572 810 H ILE 116 H ILE 116 0.094 15.761 -2.262 811 HA ILE 116 HA ILE 116 -0.595 13.640 -0.374 812 HB ILE 116 HB ILE 116 1.607 12.584 -0.798 813 2HG1 ILE 116 2HG1 ILE 116 1.750 14.733 -2.862 814 1HG2 ILE 116 1HG2 ILE 116 -0.682 12.587 -2.690 815 2HG2 ILE 116 2HG2 ILE 116 0.809 11.779 -3.231 816 3HG2 ILE 116 3HG2 ILE 116 0.016 11.266 -1.722 817 1HD1 ILE 116 1HD1 ILE 116 3.305 15.020 -1.112 818 2HD1 ILE 116 2HD1 ILE 116 3.589 13.270 -0.950 819 3HD1 ILE 116 3HD1 ILE 116 4.264 14.156 -2.338 820 H ILE 117 H ILE 117 1.113 13.516 1.418 821 HA ILE 117 HA ILE 117 2.400 16.116 1.796 822 HB ILE 117 HB ILE 117 1.633 15.973 4.209 823 2HG1 ILE 117 2HG1 ILE 117 0.640 13.518 3.490 824 1HG2 ILE 117 1HG2 ILE 117 0.803 17.552 2.407 825 2HG2 ILE 117 2HG2 ILE 117 -0.591 16.460 2.222 826 3HG2 ILE 117 3HG2 ILE 117 -0.295 17.269 3.780 827 1HD1 ILE 117 1HD1 ILE 117 -0.816 14.964 5.667 828 2HD1 ILE 117 2HD1 ILE 117 0.043 13.406 5.713 829 3HD1 ILE 117 3HD1 ILE 117 0.959 14.931 5.793 830 H VAL 118 H VAL 118 4.382 16.027 2.871 831 HA VAL 118 HA VAL 118 5.193 13.371 3.806 832 HB VAL 118 HB VAL 118 7.489 14.190 2.752 833 1HG1 VAL 118 1HG1 VAL 118 6.895 12.842 0.701 834 2HG1 VAL 118 2HG1 VAL 118 6.551 12.048 2.255 835 3HG1 VAL 118 3HG1 VAL 118 5.226 12.775 1.314 836 1HG2 VAL 118 1HG2 VAL 118 7.066 15.195 0.501 837 2HG2 VAL 118 2HG2 VAL 118 5.379 15.482 0.993 838 3HG2 VAL 118 3HG2 VAL 118 6.707 16.292 1.857 839 H ASP 119 H ASP 119 6.936 13.429 5.403 840 HA ASP 119 HA ASP 119 7.929 15.875 6.310 841 2HB ASP 119 2HB ASP 119 6.060 14.588 8.319 842 HD2 ASP 119 HD ASP 119 8.535 16.662 9.073 843 H LEU 120 H LEU 120 9.925 15.211 7.121 844 HA LEU 120 HA LEU 120 10.263 12.443 7.837 845 2HB LEU 120 2HB LEU 120 12.656 13.161 8.092 846 HG LEU 120 HG LEU 120 11.277 12.708 5.728 847 1HD1 LEU 120 1HD1 LEU 120 12.649 14.368 4.215 848 2HD1 LEU 120 2HD1 LEU 120 11.068 14.833 4.889 849 3HD1 LEU 120 3HD1 LEU 120 12.568 15.407 5.657 850 1HD2 LEU 120 1HD2 LEU 120 13.196 11.708 5.118 851 2HD2 LEU 120 2HD2 LEU 120 14.186 13.147 5.459 852 3HD2 LEU 120 3HD2 LEU 120 13.689 12.073 6.789 853 H ASN 121 H ASN 121 8.435 13.336 9.591 854 HA ASN 121 HA ASN 121 7.982 13.473 11.706 855 2HB ASN 121 2HB ASN 121 10.890 12.600 11.922 856 1HD2 ASN 121 1HD2 ASN 121 11.691 13.985 13.446 857 2HD2 ASN 121 2HD2 ASN 121 11.158 14.028 15.094 858 H SER 122 H SER 122 7.889 15.166 13.317 859 HA SER 122 HA SER 122 9.869 17.271 12.910 860 2HB SER 122 2HB SER 122 7.492 18.374 14.061 861 HG SER 122 HG SER 122 8.134 19.810 12.621 Start of MODEL 8 1 H MET 1 H MET 1 3.174 -7.286 -18.582 2 HA MET 1 HA MET 1 1.351 -6.730 -17.528 3 2HB MET 1 2HB MET 1 -0.813 -6.860 -19.035 4 2HG MET 1 2HG MET 1 0.981 -4.926 -18.858 5 1HE MET 1 1HE MET 1 1.453 -3.847 -22.526 6 2HE MET 1 2HE MET 1 1.396 -3.226 -20.859 7 3HE MET 1 3HE MET 1 2.964 -3.477 -21.663 8 H ARG 2 H ARG 2 1.648 -8.564 -16.008 9 HA ARG 2 HA ARG 2 -0.735 -9.979 -15.739 10 2HB ARG 2 2HB ARG 2 1.386 -12.044 -15.923 11 2HG ARG 2 2HG ARG 2 -1.456 -11.685 -16.959 12 2HD ARG 2 2HD ARG 2 -1.307 -14.082 -17.689 13 HE ARG 2 HE ARG 2 -0.932 -12.670 -19.578 14 1HH1 ARG 2 2HH2 ARG 2 2.074 -13.266 -17.799 15 2HH1 ARG 2 1HH2 ARG 2 3.090 -12.688 -19.076 16 2HH2 ARG 2 1HH ARG 2 2.091 -11.893 -21.104 17 H GLU 3 H GLU 3 2.748 -10.819 -15.059 18 HA GLU 3 HA GLU 3 2.064 -10.672 -12.235 19 2HB GLU 3 2HB GLU 3 4.549 -11.967 -13.414 20 2HG GLU 3 2HG GLU 3 3.191 -13.137 -11.063 21 HE2 GLU 3 HE GLU 3 5.446 -14.651 -10.628 22 H ARG 4 H ARG 4 3.161 -9.274 -10.841 23 HA ARG 4 HA ARG 4 5.619 -8.215 -11.276 24 2HB ARG 4 2HB ARG 4 4.837 -7.016 -13.233 25 2HG ARG 4 2HG ARG 4 2.529 -6.130 -11.443 26 2HD ARG 4 2HD ARG 4 3.613 -4.349 -13.062 27 HE ARG 4 HE ARG 4 2.866 -6.399 -14.960 28 1HH1 ARG 4 2HH2 ARG 4 2.906 -2.882 -14.532 29 2HH1 ARG 4 1HH2 ARG 4 2.982 -2.552 -16.231 30 2HH2 ARG 4 1HH ARG 4 3.017 -4.379 -17.782 31 H GLY 5 H GLY 5 6.198 -6.687 -9.552 32 1HA GLY 5 1HA GLY 5 5.941 -5.591 -7.592 33 2HA GLY 5 2HA GLY 5 4.206 -5.565 -7.843 34 H TRP 6 H TRP 6 5.386 -6.044 -5.290 35 HA TRP 6 HA TRP 6 5.556 -7.534 -3.629 36 2HB TRP 6 2HB TRP 6 3.451 -7.742 -3.022 37 HD1 TRP 6 HD TRP 6 2.546 -5.353 -4.060 38 HE1 TRP 6 1HE TRP 6 0.792 -4.727 -5.930 39 HE3 TRP 6 3HE TRP 6 2.447 -9.943 -6.244 40 HZ2 TRP 6 2HZ TRP 6 -0.412 -6.188 -8.065 41 HZ3 TRP 6 3HZ TRP 6 0.956 -10.260 -8.215 42 HH2 TRP 6 HH TRP 6 -0.442 -8.475 -9.129 43 H SER 7 H SER 7 7.217 -8.241 -5.810 44 HA SER 7 HA SER 7 6.721 -10.938 -6.518 45 2HB SER 7 2HB SER 7 9.305 -9.341 -6.782 46 HG SER 7 HG SER 7 9.976 -10.992 -7.962 47 H GLN 8 H GLN 8 6.451 -11.658 -4.171 48 HA GLN 8 HA GLN 8 7.201 -12.385 -2.230 49 2HB GLN 8 2HB GLN 8 9.520 -13.843 -3.185 50 2HG GLN 8 2HG GLN 8 6.627 -14.558 -2.538 51 1HE2 GLN 8 1HE2 GLN 8 6.262 -16.806 -2.123 52 2HE2 GLN 8 2HE2 GLN 8 7.073 -18.025 -3.048 53 H LYS 9 H LYS 9 7.906 -10.030 -1.750 54 HA LYS 9 HA LYS 9 10.758 -9.616 -1.793 55 2HB LYS 9 2HB LYS 9 9.490 -7.597 -0.286 56 2HG LYS 9 2HG LYS 9 9.807 -7.270 -3.246 57 2HD LYS 9 2HD LYS 9 10.987 -5.840 -0.816 58 2HE LYS 9 2HE LYS 9 12.211 -5.659 -3.099 59 1HZ LYS 9 1HZ LYS 9 10.392 -5.463 -4.591 60 2HZ LYS 9 2HZ LYS 9 9.648 -4.307 -3.718 61 H LYS 10 H LYS 10 8.383 -9.183 0.911 62 HA LYS 10 HA LYS 10 10.191 -10.798 2.563 63 2HB LYS 10 2HB LYS 10 8.876 -8.547 3.938 64 2HG LYS 10 2HG LYS 10 11.828 -8.881 3.930 65 2HD LYS 10 2HD LYS 10 10.054 -9.296 6.326 66 2HE LYS 10 2HE LYS 10 12.033 -7.246 6.639 67 1HZ LYS 10 1HZ LYS 10 13.010 -9.000 8.082 68 2HZ LYS 10 2HZ LYS 10 11.415 -8.810 8.357 69 H ILE 11 H ILE 11 7.157 -8.992 3.312 70 HA ILE 11 HA ILE 11 6.030 -11.490 4.256 71 HB ILE 11 HB ILE 11 4.818 -8.736 4.380 72 2HG1 ILE 11 2HG1 ILE 11 7.056 -8.567 5.312 73 1HG2 ILE 11 1HG2 ILE 11 4.010 -9.963 6.613 74 2HG2 ILE 11 2HG2 ILE 11 3.134 -10.092 5.069 75 3HG2 ILE 11 3HG2 ILE 11 4.234 -11.395 5.579 76 1HD1 ILE 11 1HD1 ILE 11 4.687 -7.970 6.662 77 2HD1 ILE 11 2HD1 ILE 11 5.632 -8.865 7.875 78 3HD1 ILE 11 3HD1 ILE 11 6.312 -7.405 7.120 79 H ALA 12 H ALA 12 6.488 -10.531 1.284 80 HA ALA 12 HA ALA 12 4.101 -10.032 0.053 81 1HB ALA 12 1HB ALA 12 6.718 -11.231 -0.651 82 2HB ALA 12 2HB ALA 12 5.375 -11.692 -1.723 83 3HB ALA 12 3HB ALA 12 5.774 -9.975 -1.485 84 H ARG 13 H ARG 13 5.428 -13.142 1.277 85 HA ARG 13 HA ARG 13 3.655 -14.824 0.091 86 2HB ARG 13 2HB ARG 13 4.027 -15.913 2.658 87 2HG ARG 13 2HG ARG 13 6.205 -16.855 1.511 88 2HD ARG 13 2HD ARG 13 3.643 -17.270 -0.074 89 HE ARG 13 HE ARG 13 6.056 -18.640 -0.073 90 1HH1 ARG 13 2HH2 ARG 13 2.741 -19.507 0.833 91 2HH1 ARG 13 1HH2 ARG 13 2.938 -21.182 0.437 92 2HH2 ARG 13 1HH ARG 13 5.049 -21.948 -0.401 93 H GLU 14 H GLU 14 3.418 -13.351 3.420 94 HA GLU 14 HA GLU 14 0.885 -14.323 3.929 95 2HB GLU 14 2HB GLU 14 1.398 -11.738 5.209 96 2HG GLU 14 2HG GLU 14 0.989 -14.622 5.967 97 HE2 GLU 14 HE GLU 14 2.163 -14.446 9.176 98 H LEU 15 H LEU 15 2.003 -11.672 1.920 99 HA LEU 15 HA LEU 15 -0.409 -10.177 1.988 100 2HB LEU 15 2HB LEU 15 0.746 -9.381 -0.287 101 HG LEU 15 HG LEU 15 0.501 -7.974 1.759 102 1HD1 LEU 15 1HD1 LEU 15 1.906 -8.045 3.562 103 2HD1 LEU 15 2HD1 LEU 15 1.888 -9.768 3.115 104 3HD1 LEU 15 3HD1 LEU 15 3.256 -8.737 2.631 105 1HD2 LEU 15 1HD2 LEU 15 1.608 -7.056 -0.170 106 2HD2 LEU 15 2HD2 LEU 15 2.474 -6.533 1.295 107 3HD2 LEU 15 3HD2 LEU 15 3.143 -7.836 0.282 108 H LYS 16 H LYS 16 1.075 -12.333 -0.540 109 HA LYS 16 HA LYS 16 -1.056 -12.346 -2.257 110 2HB LYS 16 2HB LYS 16 -0.010 -14.894 -2.478 111 2HG LYS 16 2HG LYS 16 1.439 -12.452 -3.547 112 2HD LYS 16 2HD LYS 16 0.478 -14.825 -5.148 113 2HE LYS 16 2HE LYS 16 3.015 -13.120 -5.202 114 1HZ LYS 16 1HZ LYS 16 2.425 -14.479 -7.588 115 2HZ LYS 16 2HZ LYS 16 3.740 -14.659 -6.646 116 H THR 17 H THR 17 -0.616 -14.049 0.839 117 HA THR 17 HA THR 17 -2.813 -15.820 0.456 118 HB THR 17 HB THR 17 -1.150 -14.893 2.848 119 HG1 THR 17 1HG THR 17 -0.298 -16.289 1.044 120 1HG2 THR 17 1HG2 THR 17 -2.517 -17.469 3.128 121 2HG2 THR 17 2HG2 THR 17 -2.479 -16.101 4.266 122 3HG2 THR 17 3HG2 THR 17 -3.701 -16.150 2.973 123 H THR 18 H THR 18 -2.459 -12.465 1.479 124 HA THR 18 HA THR 18 -5.114 -12.427 2.643 125 HB THR 18 HB THR 18 -2.868 -11.104 3.288 126 HG1 THR 18 1HG THR 18 -4.793 -10.746 4.449 127 1HG2 THR 18 1HG2 THR 18 -2.424 -9.191 2.099 128 2HG2 THR 18 2HG2 THR 18 -3.378 -9.930 0.791 129 3HG2 THR 18 3HG2 THR 18 -4.153 -8.808 1.934 130 H ARG 19 H ARG 19 -6.610 -10.560 1.914 131 HA ARG 19 HA ARG 19 -6.587 -9.434 -0.486 132 2HB ARG 19 2HB ARG 19 -6.469 -11.304 -1.879 133 2HG ARG 19 2HG ARG 19 -7.523 -12.687 0.514 134 2HD ARG 19 2HD ARG 19 -8.853 -13.084 -2.086 135 HE ARG 19 HE ARG 19 -7.135 -15.256 -1.108 136 1HH1 ARG 19 2HH2 ARG 19 -10.087 -14.470 -2.903 137 2HH1 ARG 19 1HH2 ARG 19 -10.116 -15.976 -3.758 138 2HH2 ARG 19 1HH ARG 19 -8.392 -17.590 -3.352 139 H GLN 20 H GLN 20 -8.543 -11.525 1.697 140 HA GLN 20 HA GLN 20 -10.575 -11.362 2.477 141 2HB GLN 20 2HB GLN 20 -10.115 -8.350 2.445 142 2HG GLN 20 2HG GLN 20 -12.295 -9.766 3.348 143 1HE2 GLN 20 1HE2 GLN 20 -13.212 -10.101 5.455 144 2HE2 GLN 20 2HE2 GLN 20 -12.246 -10.722 6.751 145 H ASN 21 H ASN 21 -10.218 -11.150 -0.534 146 HA ASN 21 HA ASN 21 -11.331 -10.627 -2.342 147 2HB ASN 21 2HB ASN 21 -13.963 -10.839 -0.873 148 1HD2 ASN 21 1HD2 ASN 21 -14.255 -13.506 -2.003 149 2HD2 ASN 21 2HD2 ASN 21 -14.490 -13.327 -3.709 150 H VAL 22 H VAL 22 -10.753 -8.339 -0.446 151 HA VAL 22 HA VAL 22 -12.910 -6.547 -1.323 152 HB VAL 22 HB VAL 22 -11.451 -6.718 1.306 153 1HG1 VAL 22 1HG1 VAL 22 -11.264 -4.441 1.056 154 2HG1 VAL 22 2HG1 VAL 22 -12.678 -4.329 -0.019 155 3HG1 VAL 22 3HG1 VAL 22 -12.907 -4.540 1.734 156 1HG2 VAL 22 1HG2 VAL 22 -13.451 -7.265 2.224 157 2HG2 VAL 22 2HG2 VAL 22 -14.370 -6.205 1.130 158 3HG2 VAL 22 3HG2 VAL 22 -13.818 -7.800 0.567 159 H SER 23 H SER 23 -9.883 -7.539 -2.009 160 HA SER 23 HA SER 23 -9.228 -4.986 -3.096 161 2HB SER 23 2HB SER 23 -6.753 -5.564 -2.022 162 HG SER 23 HG SER 23 -8.739 -3.992 -0.628 163 H ALA 24 H ALA 24 -6.912 -7.608 -2.262 164 HA ALA 24 HA ALA 24 -5.574 -8.763 -3.641 165 1HB ALA 24 1HB ALA 24 -7.604 -9.958 -5.285 166 2HB ALA 24 2HB ALA 24 -6.784 -10.642 -3.860 167 3HB ALA 24 3HB ALA 24 -8.279 -9.696 -3.660 168 H ILE 25 H ILE 25 -5.089 -6.412 -4.556 169 HA ILE 25 HA ILE 25 -6.102 -5.855 -7.144 170 HB ILE 25 HB ILE 25 -3.711 -4.798 -5.631 171 2HG1 ILE 25 2HG1 ILE 25 -6.130 -4.508 -4.730 172 1HG2 ILE 25 1HG2 ILE 25 -3.894 -2.872 -7.235 173 2HG2 ILE 25 2HG2 ILE 25 -3.299 -4.393 -7.942 174 3HG2 ILE 25 3HG2 ILE 25 -4.980 -3.880 -8.220 175 1HD1 ILE 25 1HD1 ILE 25 -3.985 -2.437 -5.139 176 2HD1 ILE 25 2HD1 ILE 25 -5.547 -1.902 -4.477 177 3HD1 ILE 25 3HD1 ILE 25 -4.601 -3.147 -3.628 178 H GLU 26 H GLU 26 -3.614 -7.956 -5.852 179 HA GLU 26 HA GLU 26 -2.073 -8.016 -8.217 180 2HB GLU 26 2HB GLU 26 -0.910 -8.624 -6.249 181 2HG GLU 26 2HG GLU 26 -2.164 -10.962 -5.242 182 HE2 GLU 26 HE GLU 26 -2.879 -10.283 -2.858 183 H ARG 27 H ARG 27 -4.773 -9.946 -6.837 184 HA ARG 27 HA ARG 27 -4.603 -11.956 -8.776 185 2HB ARG 27 2HB ARG 27 -7.081 -12.346 -7.967 186 2HG ARG 27 2HG ARG 27 -6.229 -13.095 -5.668 187 2HD ARG 27 2HD ARG 27 -4.375 -13.874 -7.964 188 HE ARG 27 HE ARG 27 -5.426 -15.816 -6.011 189 1HH1 ARG 27 2HH2 ARG 27 -2.751 -13.648 -6.845 190 2HH1 ARG 27 1HH2 ARG 27 -1.605 -14.474 -5.843 191 2HH2 ARG 27 1HH ARG 27 -2.311 -16.386 -4.584 192 H LYS 28 H LYS 28 -6.845 -9.124 -8.309 193 HA LYS 28 HA LYS 28 -8.326 -9.509 -10.620 194 2HB LYS 28 2HB LYS 28 -8.877 -7.071 -10.345 195 2HG LYS 28 2HG LYS 28 -9.520 -7.499 -7.753 196 2HD LYS 28 2HD LYS 28 -10.939 -7.611 -9.990 197 2HE LYS 28 2HE LYS 28 -11.814 -10.203 -9.835 198 1HZ LYS 28 1HZ LYS 28 -10.830 -10.424 -11.939 199 2HZ LYS 28 2HZ LYS 28 -10.977 -8.807 -11.808 200 H ALA 29 H ALA 29 -5.470 -7.329 -10.066 201 HA ALA 29 HA ALA 29 -5.215 -6.322 -12.570 202 1HB ALA 29 1HB ALA 29 -3.829 -5.606 -10.718 203 2HB ALA 29 2HB ALA 29 -3.082 -7.217 -10.593 204 3HB ALA 29 3HB ALA 29 -2.760 -6.194 -12.014 205 H MET 30 H MET 30 -3.514 -9.311 -11.370 206 HA MET 30 HA MET 30 -2.561 -10.025 -13.850 207 2HB MET 30 2HB MET 30 -3.367 -12.138 -11.829 208 2HG MET 30 2HG MET 30 -0.596 -12.191 -12.295 209 1HE MET 30 1HE MET 30 0.017 -15.041 -12.798 210 2HE MET 30 2HE MET 30 -0.533 -14.113 -11.382 211 3HE MET 30 3HE MET 30 -1.328 -15.648 -11.802 212 H GLU 31 H GLU 31 -5.794 -10.138 -12.588 213 HA GLU 31 HA GLU 31 -6.608 -12.325 -14.226 214 2HB GLU 31 2HB GLU 31 -8.886 -10.853 -13.369 215 2HG GLU 31 2HG GLU 31 -9.155 -12.739 -11.793 216 HE2 GLU 31 HE GLU 31 -9.048 -15.403 -14.182 217 H ASN 32 H ASN 32 -5.305 -10.545 -15.884 218 HA ASN 32 HA ASN 32 -5.478 -9.245 -17.624 219 2HB ASN 32 2HB ASN 32 -7.721 -9.708 -19.010 220 1HD2 ASN 32 1HD2 ASN 32 -5.558 -9.683 -20.054 221 2HD2 ASN 32 2HD2 ASN 32 -4.815 -11.194 -20.457 222 H ILE 33 H ILE 33 -6.419 -8.040 -15.127 223 HA ILE 33 HA ILE 33 -8.888 -6.812 -15.298 224 HB ILE 33 HB ILE 33 -6.753 -6.872 -13.550 225 2HG1 ILE 33 2HG1 ILE 33 -8.993 -6.957 -12.789 226 1HG2 ILE 33 1HG2 ILE 33 -6.166 -4.594 -13.034 227 2HG2 ILE 33 2HG2 ILE 33 -5.762 -4.929 -14.734 228 3HG2 ILE 33 3HG2 ILE 33 -7.216 -3.983 -14.334 229 1HD1 ILE 33 1HD1 ILE 33 -7.414 -5.784 -11.240 230 2HD1 ILE 33 2HD1 ILE 33 -7.884 -4.232 -11.972 231 3HD1 ILE 33 3HD1 ILE 33 -9.084 -5.193 -11.075 232 H GLU 34 H GLU 34 -9.253 -4.376 -15.604 233 HA GLU 34 HA GLU 34 -7.587 -2.808 -17.063 234 2HB GLU 34 2HB GLU 34 -7.560 -4.206 -18.964 235 2HG GLU 34 2HG GLU 34 -10.589 -4.491 -18.895 236 HE2 GLU 34 HE GLU 34 -10.432 -4.757 -21.395 237 H LYS 35 H LYS 35 -10.952 -3.971 -16.599 238 HA LYS 35 HA LYS 35 -11.956 -1.833 -15.365 239 2HB LYS 35 2HB LYS 35 -11.693 -1.236 -18.281 240 2HG LYS 35 2HG LYS 35 -13.621 0.558 -17.409 241 2HD LYS 35 2HD LYS 35 -13.573 -1.847 -19.191 242 2HE LYS 35 2HE LYS 35 -16.216 -0.492 -19.082 243 1HZ LYS 35 1HZ LYS 35 -15.464 -2.532 -20.418 244 2HZ LYS 35 2HZ LYS 35 -15.621 -3.387 -19.042 245 H SER 36 H SER 36 -13.055 -3.653 -14.491 246 HA SER 36 HA SER 36 -15.413 -4.282 -16.017 247 2HB SER 36 2HB SER 36 -15.187 -6.703 -15.732 248 HG SER 36 HG SER 36 -13.887 -5.453 -17.489 249 H ARG 37 H ARG 37 -13.727 -5.653 -13.093 250 HA ARG 37 HA ARG 37 -15.936 -5.907 -11.571 251 2HB ARG 37 2HB ARG 37 -13.835 -5.119 -9.792 252 2HG ARG 37 2HG ARG 37 -15.471 -7.239 -9.989 253 2HD ARG 37 2HD ARG 37 -12.817 -8.248 -11.125 254 HE ARG 37 HE ARG 37 -14.593 -9.669 -9.545 255 1HH1 ARG 37 2HH2 ARG 37 -13.660 -9.875 -12.957 256 2HH1 ARG 37 1HH2 ARG 37 -13.960 -11.577 -13.064 257 2HH2 ARG 37 1HH ARG 37 -14.742 -12.756 -11.129 258 H ASN 38 H ASN 38 -13.501 -3.218 -11.173 259 HA ASN 38 HA ASN 38 -13.834 -1.052 -10.938 260 2HB ASN 38 2HB ASN 38 -16.789 -1.232 -10.345 261 1HD2 ASN 38 1HD2 ASN 38 -14.654 -0.071 -12.944 262 2HD2 ASN 38 2HD2 ASN 38 -14.969 1.621 -12.752 263 H THR 39 H THR 39 -13.420 -3.152 -8.869 264 HA THR 39 HA THR 39 -14.971 -2.455 -6.568 265 HB THR 39 HB THR 39 -12.436 -4.114 -7.027 266 HG1 THR 39 1HG THR 39 -14.010 -5.678 -7.335 267 1HG2 THR 39 1HG2 THR 39 -12.500 -4.804 -4.807 268 2HG2 THR 39 2HG2 THR 39 -13.153 -3.166 -4.562 269 3HG2 THR 39 3HG2 THR 39 -14.259 -4.556 -4.681 270 H LEU 40 H LEU 40 -11.385 -2.449 -6.609 271 HA LEU 40 HA LEU 40 -11.093 -0.540 -4.707 272 2HB LEU 40 2HB LEU 40 -9.323 -1.981 -5.578 273 HG LEU 40 HG LEU 40 -7.975 -1.369 -7.487 274 1HD1 LEU 40 1HD1 LEU 40 -10.838 -1.634 -8.432 275 2HD1 LEU 40 2HD1 LEU 40 -9.357 -2.180 -9.255 276 3HD1 LEU 40 3HD1 LEU 40 -9.884 -2.975 -7.752 277 1HD2 LEU 40 1HD2 LEU 40 -9.109 1.118 -7.292 278 2HD2 LEU 40 2HD2 LEU 40 -8.117 0.538 -8.649 279 3HD2 LEU 40 3HD2 LEU 40 -9.892 0.464 -8.750 280 H ASP 41 H ASP 41 -12.043 -0.139 -8.085 281 HA ASP 41 HA ASP 41 -11.364 2.543 -8.318 282 2HB ASP 41 2HB ASP 41 -13.753 1.184 -9.636 283 HD2 ASP 41 HD ASP 41 -13.474 4.550 -10.454 284 H PHE 42 H PHE 42 -14.532 0.869 -7.623 285 HA PHE 42 HA PHE 42 -16.067 3.107 -7.218 286 2HB PHE 42 2HB PHE 42 -15.970 0.247 -6.160 287 HD1 PHE 42 1HD PHE 42 -19.100 2.029 -6.599 288 HD2 PHE 42 2HD PHE 42 -16.258 0.690 -3.746 289 HE1 PHE 42 1HE PHE 42 -20.779 2.374 -4.766 290 HE2 PHE 42 2HE PHE 42 -17.938 1.035 -1.912 291 HZ PHE 42 HZ PHE 42 -20.177 1.873 -2.444 292 H VAL 43 H VAL 43 -13.771 1.466 -5.012 293 HA VAL 43 HA VAL 43 -14.629 3.009 -2.750 294 HB VAL 43 HB VAL 43 -13.087 0.678 -3.276 295 1HG1 VAL 43 1HG1 VAL 43 -11.217 1.086 -1.638 296 2HG1 VAL 43 2HG1 VAL 43 -11.053 1.941 -3.190 297 3HG1 VAL 43 3HG1 VAL 43 -11.590 2.824 -1.741 298 1HG2 VAL 43 1HG2 VAL 43 -13.920 2.011 -0.676 299 2HG2 VAL 43 2HG2 VAL 43 -14.876 0.846 -1.625 300 3HG2 VAL 43 3HG2 VAL 43 -13.362 0.329 -0.844 301 H LYS 44 H LYS 44 -12.371 3.318 -5.433 302 HA LYS 44 HA LYS 44 -10.648 5.179 -4.177 303 2HB LYS 44 2HB LYS 44 -10.663 5.507 -7.015 304 2HG LYS 44 2HG LYS 44 -8.559 3.842 -6.460 305 2HD LYS 44 2HD LYS 44 -8.584 6.304 -7.232 306 2HE LYS 44 2HE LYS 44 -7.754 7.366 -4.678 307 1HZ LYS 44 1HZ LYS 44 -10.220 8.042 -6.170 308 2HZ LYS 44 2HZ LYS 44 -9.288 9.040 -5.282 309 H SER 45 H SER 45 -13.751 5.358 -5.920 310 HA SER 45 HA SER 45 -13.701 8.047 -6.499 311 2HB SER 45 2HB SER 45 -16.054 6.235 -5.806 312 HG SER 45 HG SER 45 -17.291 7.937 -6.149 313 H LEU 46 H LEU 46 -14.583 6.256 -3.511 314 HA LEU 46 HA LEU 46 -15.900 8.061 -2.044 315 2HB LEU 46 2HB LEU 46 -13.854 7.007 -0.370 316 HG LEU 46 HG LEU 46 -16.618 5.899 -0.933 317 1HD1 LEU 46 1HD1 LEU 46 -16.272 5.064 1.497 318 2HD1 LEU 46 2HD1 LEU 46 -15.518 4.172 0.154 319 3HD1 LEU 46 3HD1 LEU 46 -14.539 5.278 1.148 320 1HD2 LEU 46 1HD2 LEU 46 -15.950 7.580 1.456 321 2HD2 LEU 46 2HD2 LEU 46 -16.305 8.364 -0.102 322 3HD2 LEU 46 3HD2 LEU 46 -17.515 7.300 0.656 323 H LYS 47 H LYS 47 -12.316 8.026 -2.565 324 HA LYS 47 HA LYS 47 -10.822 9.650 -2.470 325 2HB LYS 47 2HB LYS 47 -13.315 11.315 -2.734 326 2HG LYS 47 2HG LYS 47 -11.047 12.944 -3.236 327 2HD LYS 47 2HD LYS 47 -11.940 14.144 -1.107 328 2HE LYS 47 2HE LYS 47 -13.163 13.739 -3.739 329 1HZ LYS 47 1HZ LYS 47 -15.334 13.786 -3.205 330 2HZ LYS 47 2HZ LYS 47 -14.948 13.418 -1.666 331 H SER 48 H SER 48 -10.713 8.404 -0.276 332 HA SER 48 HA SER 48 -11.330 10.268 1.870 333 2HB SER 48 2HB SER 48 -12.279 8.001 2.118 334 HG SER 48 HG SER 48 -11.105 6.311 1.559 335 HA PRO 49 HA PRO 49 -7.046 10.963 2.288 336 2HB PRO 49 2HB PRO 49 -7.404 13.021 3.258 337 2HG PRO 49 2HG PRO 49 -9.501 13.301 4.175 338 2HD PRO 49 2HD PRO 49 -10.691 11.763 2.949 339 H VAL 50 H VAL 50 -5.066 10.423 3.452 340 HA VAL 50 HA VAL 50 -5.420 8.516 5.573 341 HB VAL 50 HB VAL 50 -4.287 7.666 2.901 342 1HG1 VAL 50 1HG1 VAL 50 -3.018 6.287 4.137 343 2HG1 VAL 50 2HG1 VAL 50 -3.938 6.626 5.623 344 3HG1 VAL 50 3HG1 VAL 50 -4.528 5.405 4.470 345 1HG2 VAL 50 1HG2 VAL 50 -6.811 6.868 4.381 346 2HG2 VAL 50 2HG2 VAL 50 -6.684 7.650 2.788 347 3HG2 VAL 50 3HG2 VAL 50 -6.142 5.968 2.998 348 H ARG 51 H ARG 51 -3.447 8.157 6.736 349 HA ARG 51 HA ARG 51 -1.143 9.539 5.708 350 2HB ARG 51 2HB ARG 51 -2.381 10.173 8.434 351 2HG ARG 51 2HG ARG 51 0.234 10.998 7.110 352 2HD ARG 51 2HD ARG 51 -1.470 12.829 8.314 353 HE ARG 51 HE ARG 51 -1.284 12.176 10.590 354 1HH1 ARG 51 2HH2 ARG 51 1.922 12.483 9.114 355 2HH1 ARG 51 1HH2 ARG 51 2.761 12.433 10.629 356 2HH2 ARG 51 1HH ARG 51 1.505 12.213 12.658 357 H ILE 52 H ILE 52 0.814 8.582 6.428 358 HA ILE 52 HA ILE 52 0.794 6.860 8.721 359 HB ILE 52 HB ILE 52 1.810 5.060 6.959 360 2HG1 ILE 52 2HG1 ILE 52 1.144 6.290 4.986 361 1HG2 ILE 52 1HG2 ILE 52 0.190 3.700 7.768 362 2HG2 ILE 52 2HG2 ILE 52 -0.063 5.066 8.881 363 3HG2 ILE 52 3HG2 ILE 52 -1.113 4.871 7.456 364 1HD1 ILE 52 1HD1 ILE 52 0.270 3.639 5.623 365 2HD1 ILE 52 2HD1 ILE 52 -1.038 4.418 4.701 366 3HD1 ILE 52 3HD1 ILE 52 0.601 4.323 4.013 367 H LEU 53 H LEU 53 2.933 6.382 9.449 368 HA LEU 53 HA LEU 53 4.898 8.159 8.232 369 2HB LEU 53 2HB LEU 53 4.835 6.752 10.905 370 HG LEU 53 HG LEU 53 6.905 8.478 9.628 371 1HD1 LEU 53 1HD1 LEU 53 7.055 8.699 12.518 372 2HD1 LEU 53 2HD1 LEU 53 7.158 9.959 11.265 373 3HD1 LEU 53 3HD1 LEU 53 5.570 9.443 11.879 374 1HD2 LEU 53 1HD2 LEU 53 6.779 5.918 10.810 375 2HD2 LEU 53 2HD2 LEU 53 8.206 6.766 10.172 376 3HD2 LEU 53 3HD2 LEU 53 7.769 6.928 11.890 377 H CYS 54 H CYS 54 7.030 7.425 7.679 378 HA CYS 54 HA CYS 54 7.097 4.531 7.215 379 2HB CYS 54 2HB CYS 54 8.923 5.823 5.464 380 HG CYS 54 HG CYS 54 6.086 4.194 5.459 381 H ARG 55 H ARG 55 8.959 3.436 7.932 382 HA ARG 55 HA ARG 55 10.948 5.155 9.184 383 2HB ARG 55 2HB ARG 55 11.312 3.048 10.708 384 2HG ARG 55 2HG ARG 55 8.759 3.775 11.679 385 2HD ARG 55 2HD ARG 55 10.602 5.720 12.605 386 HE ARG 55 HE ARG 55 10.508 3.124 13.981 387 1HH1 ARG 55 2HH2 ARG 55 8.791 6.161 13.363 388 2HH1 ARG 55 1HH2 ARG 55 7.801 6.033 14.779 389 2HH2 ARG 55 1HH ARG 55 8.061 4.140 16.227 390 H ARG 56 H ARG 56 12.930 3.278 9.772 391 HA ARG 56 HA ARG 56 14.245 3.029 7.430 392 2HB ARG 56 2HB ARG 56 15.370 0.975 8.846 393 2HG ARG 56 2HG ARG 56 15.638 3.799 9.921 394 2HD ARG 56 2HD ARG 56 17.083 1.474 10.360 395 HE ARG 56 HE ARG 56 18.050 2.556 7.854 396 1HH1 ARG 56 2HH2 ARG 56 19.170 1.132 10.900 397 2HH1 ARG 56 1HH2 ARG 56 20.647 0.533 10.222 398 2HH2 ARG 56 1HH ARG 56 21.114 0.919 7.903 399 H GLY 57 H GLY 57 14.280 1.546 5.726 400 1HA GLY 57 1HA GLY 57 12.173 -0.125 5.195 401 2HA GLY 57 2HA GLY 57 13.768 -0.258 4.483 402 H ASP 58 H ASP 58 14.869 -0.635 7.399 403 HA ASP 58 HA ASP 58 14.860 -3.435 7.257 404 2HB ASP 58 2HB ASP 58 15.640 -1.842 9.721 405 HD2 ASP 58 HD ASP 58 15.982 -5.355 8.904 406 H THR 59 H THR 59 13.145 -0.917 9.158 407 HA THR 59 HA THR 59 11.754 -3.010 10.680 408 HB THR 59 HB THR 59 12.931 -0.491 11.356 409 HG1 THR 59 1HG THR 59 11.941 -1.258 13.439 410 1HG2 THR 59 1HG2 THR 59 9.957 -0.526 12.020 411 2HG2 THR 59 2HG2 THR 59 11.126 0.796 12.257 412 3HG2 THR 59 3HG2 THR 59 10.568 0.385 10.617 413 H LEU 60 H LEU 60 11.423 -1.811 7.735 414 HA LEU 60 HA LEU 60 8.963 -0.549 7.653 415 2HB LEU 60 2HB LEU 60 9.971 -2.465 5.562 416 HG LEU 60 HG LEU 60 7.811 -1.239 5.138 417 1HD1 LEU 60 1HD1 LEU 60 8.346 0.832 6.333 418 2HD1 LEU 60 2HD1 LEU 60 9.604 1.206 5.131 419 3HD1 LEU 60 3HD1 LEU 60 7.893 1.150 4.642 420 1HD2 LEU 60 1HD2 LEU 60 9.621 -2.006 3.412 421 2HD2 LEU 60 2HD2 LEU 60 8.265 -0.976 2.896 422 3HD2 LEU 60 3HD2 LEU 60 9.867 -0.258 3.187 423 H ASP 61 H ASP 61 9.827 -4.036 7.818 424 HA ASP 61 HA ASP 61 7.365 -5.071 7.284 425 2HB ASP 61 2HB ASP 61 9.510 -6.351 7.628 426 HD2 ASP 61 HD ASP 61 11.333 -5.541 9.673 427 H GLU 62 H GLU 62 8.853 -4.057 10.446 428 HA GLU 62 HA GLU 62 6.536 -4.685 11.919 429 2HB GLU 62 2HB GLU 62 8.416 -2.689 13.069 430 2HG GLU 62 2HG GLU 62 8.576 -4.918 14.619 431 HE2 GLU 62 HE GLU 62 5.551 -3.974 16.105 432 H ILE 63 H ILE 63 7.925 -1.690 10.476 433 HA ILE 63 HA ILE 63 6.205 0.138 11.635 434 HB ILE 63 HB ILE 63 8.284 0.168 9.837 435 2HG1 ILE 63 2HG1 ILE 63 7.800 2.715 9.879 436 1HG2 ILE 63 1HG2 ILE 63 7.327 1.623 7.969 437 2HG2 ILE 63 2HG2 ILE 63 7.037 -0.130 7.872 438 3HG2 ILE 63 3HG2 ILE 63 5.739 0.956 8.422 439 1HD1 ILE 63 1HD1 ILE 63 6.049 2.129 12.223 440 2HD1 ILE 63 2HD1 ILE 63 6.018 3.506 11.095 441 3HD1 ILE 63 3HD1 ILE 63 5.283 1.954 10.626 442 H ILE 64 H ILE 64 5.749 -2.135 8.919 443 HA ILE 64 HA ILE 64 3.416 -0.977 7.901 444 HB ILE 64 HB ILE 64 4.920 -3.474 7.633 445 2HG1 ILE 64 2HG1 ILE 64 3.273 -2.113 5.516 446 1HG2 ILE 64 1HG2 ILE 64 1.916 -3.471 7.281 447 2HG2 ILE 64 2HG2 ILE 64 2.998 -4.629 6.470 448 3HG2 ILE 64 3HG2 ILE 64 2.915 -4.582 8.249 449 1HD1 ILE 64 1HD1 ILE 64 5.571 -1.007 7.058 450 2HD1 ILE 64 2HD1 ILE 64 5.742 -0.947 5.288 451 3HD1 ILE 64 3HD1 ILE 64 4.350 -0.165 6.074 452 H LYS 65 H LYS 65 4.041 -3.264 10.593 453 HA LYS 65 HA LYS 65 1.349 -3.940 11.014 454 2HB LYS 65 2HB LYS 65 2.983 -3.998 13.418 455 2HG LYS 65 2HG LYS 65 2.498 -6.498 11.915 456 2HD LYS 65 2HD LYS 65 1.461 -5.440 14.588 457 2HE LYS 65 2HE LYS 65 0.966 -7.897 13.077 458 1HZ LYS 65 1HZ LYS 65 2.632 -8.989 14.272 459 2HZ LYS 65 2HZ LYS 65 2.445 -8.098 15.621 460 H ARG 66 H ARG 66 3.477 -1.326 12.291 461 HA ARG 66 HA ARG 66 1.512 -0.389 14.057 462 2HB ARG 66 2HB ARG 66 3.042 1.703 14.070 463 2HG ARG 66 2HG ARG 66 5.116 0.019 14.733 464 2HD ARG 66 2HD ARG 66 2.864 1.283 16.094 465 HE ARG 66 HE ARG 66 2.961 -1.457 16.677 466 1HH1 ARG 66 2HH2 ARG 66 3.458 1.539 18.502 467 2HH1 ARG 66 1HH2 ARG 66 2.945 0.854 20.007 468 2HH2 ARG 66 1HH ARG 66 2.260 -1.442 20.078 469 H LEU 67 H LEU 67 2.413 0.250 10.659 470 HA LEU 67 HA LEU 67 0.946 2.648 10.396 471 2HB LEU 67 2HB LEU 67 1.131 1.983 7.910 472 HG LEU 67 HG LEU 67 3.752 2.160 9.414 473 1HD1 LEU 67 1HD1 LEU 67 3.614 1.603 6.880 474 2HD1 LEU 67 2HD1 LEU 67 3.186 3.322 6.701 475 3HD1 LEU 67 3HD1 LEU 67 4.739 2.864 7.441 476 1HD2 LEU 67 1HD2 LEU 67 3.020 4.712 8.473 477 2HD2 LEU 67 2HD2 LEU 67 1.591 4.062 9.313 478 3HD2 LEU 67 3HD2 LEU 67 3.152 4.161 10.161 479 H LEU 68 H LEU 68 0.217 -0.833 9.767 480 HA LEU 68 HA LEU 68 -2.196 -0.603 8.554 481 2HB LEU 68 2HB LEU 68 -0.722 -2.635 9.389 482 HG LEU 68 HG LEU 68 -1.663 -2.266 11.809 483 1HD1 LEU 68 1HD1 LEU 68 -3.970 -2.113 11.500 484 2HD1 LEU 68 2HD1 LEU 68 -4.009 -3.479 10.361 485 3HD1 LEU 68 3HD1 LEU 68 -3.731 -3.773 12.093 486 1HD2 LEU 68 1HD2 LEU 68 -0.656 -4.217 12.110 487 2HD2 LEU 68 2HD2 LEU 68 -2.034 -5.077 11.385 488 3HD2 LEU 68 3HD2 LEU 68 -0.706 -4.496 10.352 489 H GLU 69 H GLU 69 -1.471 -0.355 12.083 490 HA GLU 69 HA GLU 69 -4.060 -0.207 12.950 491 2HB GLU 69 2HB GLU 69 -3.143 0.833 14.970 492 2HG GLU 69 2HG GLU 69 -0.742 -0.639 14.701 493 HE2 GLU 69 HE GLU 69 -3.330 -0.966 17.312 494 H GLU 70 H GLU 70 -2.139 2.118 11.152 495 HA GLU 70 HA GLU 70 -3.968 4.248 11.836 496 2HB GLU 70 2HB GLU 70 -2.406 5.719 10.681 497 2HG GLU 70 2HG GLU 70 -0.148 4.701 11.769 498 HE2 GLU 70 HE GLU 70 -1.938 5.913 14.900 499 H SER 71 H SER 71 -2.884 2.232 9.053 500 HA SER 71 HA SER 71 -4.716 3.570 7.312 501 2HB SER 71 2HB SER 71 -3.907 1.825 5.652 502 HG SER 71 HG SER 71 -1.463 2.675 6.635 503 H ASN 72 H ASN 72 -4.218 0.070 8.212 504 HA ASN 72 HA ASN 72 -6.431 -0.997 7.287 505 2HB ASN 72 2HB ASN 72 -6.008 -1.778 10.130 506 1HD2 ASN 72 1HD2 ASN 72 -5.876 -4.006 10.324 507 2HD2 ASN 72 2HD2 ASN 72 -6.268 -5.094 9.034 508 H LYS 73 H LYS 73 -6.141 1.265 10.020 509 HA LYS 73 HA LYS 73 -8.632 0.788 11.210 510 2HB LYS 73 2HB LYS 73 -7.881 3.509 11.571 511 2HG LYS 73 2HG LYS 73 -6.852 2.131 13.726 512 2HD LYS 73 2HD LYS 73 -8.897 3.814 13.408 513 2HE LYS 73 2HE LYS 73 -10.578 1.493 14.218 514 1HZ LYS 73 1HZ LYS 73 -12.104 3.039 13.706 515 2HZ LYS 73 2HZ LYS 73 -10.928 4.106 13.346 516 H GLU 74 H GLU 74 -7.568 3.336 8.846 517 HA GLU 74 HA GLU 74 -10.310 4.041 8.439 518 2HB GLU 74 2HB GLU 74 -8.533 5.772 8.478 519 2HG GLU 74 2HG GLU 74 -7.624 4.763 5.765 520 HE2 GLU 74 HE GLU 74 -5.192 6.146 8.216 521 H GLY 75 H GLY 75 -8.525 1.450 7.469 522 1HA GLY 75 1HA GLY 75 -9.859 1.338 4.830 523 2HA GLY 75 2HA GLY 75 -8.236 0.737 5.105 524 H ILE 76 H ILE 76 -9.368 -1.297 4.206 525 HA ILE 76 HA ILE 76 -11.001 -2.635 6.206 526 HB ILE 76 HB ILE 76 -11.774 -2.664 3.925 527 2HG1 ILE 76 2HG1 ILE 76 -10.795 -5.356 4.917 528 1HG2 ILE 76 1HG2 ILE 76 -8.999 -3.118 3.315 529 2HG2 ILE 76 2HG2 ILE 76 -9.999 -4.403 2.595 530 3HG2 ILE 76 3HG2 ILE 76 -10.346 -2.696 2.230 531 1HD1 ILE 76 1HD1 ILE 76 -13.019 -3.519 5.589 532 2HD1 ILE 76 2HD1 ILE 76 -13.545 -5.177 5.213 533 3HD1 ILE 76 3HD1 ILE 76 -12.360 -4.892 6.511 534 H HIS 77 H HIS 77 -10.443 -4.803 6.979 535 HA HIS 77 HA HIS 77 -7.916 -4.937 8.011 536 2HB HIS 77 2HB HIS 77 -9.877 -7.177 7.450 537 HD1 HIS 77 1HD HIS 77 -7.619 -6.439 10.440 538 HD2 HIS 77 2HD HIS 77 -8.263 -9.416 7.554 539 HE1 HIS 77 1HE HIS 77 -6.162 -8.421 11.119 540 H VAL 78 H VAL 78 -6.128 -4.726 6.701 541 HA VAL 78 HA VAL 78 -5.772 -6.872 4.743 542 HB VAL 78 HB VAL 78 -5.282 -3.920 4.315 543 1HG1 VAL 78 1HG1 VAL 78 -4.562 -4.713 1.992 544 2HG1 VAL 78 2HG1 VAL 78 -3.416 -4.984 3.327 545 3HG1 VAL 78 3HG1 VAL 78 -4.402 -6.332 2.714 546 1HG2 VAL 78 1HG2 VAL 78 -7.099 -3.877 2.958 547 2HG2 VAL 78 2HG2 VAL 78 -6.846 -5.540 2.380 548 3HG2 VAL 78 3HG2 VAL 78 -7.611 -5.255 3.962 549 H ILE 79 H ILE 79 -3.625 -7.636 4.566 550 HA ILE 79 HA ILE 79 -1.841 -6.549 6.630 551 HB ILE 79 HB ILE 79 -0.898 -8.786 6.805 552 2HG1 ILE 79 2HG1 ILE 79 -1.659 -9.347 4.361 553 1HG2 ILE 79 1HG2 ILE 79 -2.345 -8.944 8.480 554 2HG2 ILE 79 2HG2 ILE 79 -3.559 -7.993 7.590 555 3HG2 ILE 79 3HG2 ILE 79 -3.473 -9.757 7.368 556 1HD1 ILE 79 1HD1 ILE 79 -2.070 -11.857 5.542 557 2HD1 ILE 79 2HD1 ILE 79 -0.500 -11.170 5.061 558 3HD1 ILE 79 3HD1 ILE 79 -1.081 -10.980 6.733 559 H HIS 80 H HIS 80 -1.794 -5.102 4.371 560 HA HIS 80 HA HIS 80 0.148 -6.272 2.578 561 2HB HIS 80 2HB HIS 80 -0.162 -4.026 1.398 562 HD1 HIS 80 1HD HIS 80 -1.295 -7.257 1.599 563 HD2 HIS 80 2HD HIS 80 -3.155 -3.764 0.206 564 HE1 HIS 80 1HE HIS 80 -3.152 -8.016 0.022 565 H ASP 81 H ASP 81 2.047 -4.755 1.903 566 HA ASP 81 HA ASP 81 3.144 -3.683 4.382 567 2HB ASP 81 2HB ASP 81 5.384 -4.059 3.040 568 HD2 ASP 81 HD ASP 81 5.718 -5.486 5.516 569 H SER 82 H SER 82 4.987 -1.946 3.799 570 HA SER 82 HA SER 82 3.725 0.109 2.428 571 2HB SER 82 2HB SER 82 6.197 1.089 2.567 572 HG SER 82 HG SER 82 5.813 1.123 5.061 573 H ILE 83 H ILE 83 6.059 -2.403 1.467 574 HA ILE 83 HA ILE 83 6.873 -1.155 -0.936 575 HB ILE 83 HB ILE 83 6.906 -4.091 -0.248 576 2HG1 ILE 83 2HG1 ILE 83 7.886 -2.987 1.626 577 1HG2 ILE 83 1HG2 ILE 83 7.899 -4.330 -2.214 578 2HG2 ILE 83 2HG2 ILE 83 7.798 -2.577 -2.513 579 3HG2 ILE 83 3HG2 ILE 83 9.208 -3.255 -1.665 580 1HD1 ILE 83 1HD1 ILE 83 9.983 -4.002 1.620 581 2HD1 ILE 83 2HD1 ILE 83 9.234 -4.830 0.233 582 3HD1 ILE 83 3HD1 ILE 83 10.350 -3.470 -0.039 583 H THR 84 H THR 84 4.208 -3.357 0.011 584 HA THR 84 HA THR 84 3.367 -3.703 -2.723 585 HB THR 84 HB THR 84 2.786 -4.787 -0.028 586 HG1 THR 84 1HG THR 84 3.749 -5.817 -2.004 587 1HG2 THR 84 1HG2 THR 84 0.494 -5.444 -0.463 588 2HG2 THR 84 2HG2 THR 84 0.541 -3.677 -0.679 589 3HG2 THR 84 3HG2 THR 84 0.541 -4.749 -2.101 590 H LEU 85 H LEU 85 2.606 -1.575 0.027 591 HA LEU 85 HA LEU 85 0.159 -0.638 -0.897 592 2HB LEU 85 2HB LEU 85 1.109 1.489 0.419 593 HG LEU 85 HG LEU 85 -0.605 0.598 1.610 594 1HD1 LEU 85 1HD1 LEU 85 -1.020 -1.434 0.604 595 2HD1 LEU 85 2HD1 LEU 85 0.609 -2.065 0.945 596 3HD1 LEU 85 3HD1 LEU 85 -0.587 -1.933 2.257 597 1HD2 LEU 85 1HD2 LEU 85 0.066 0.113 3.779 598 2HD2 LEU 85 2HD2 LEU 85 1.491 -0.812 3.245 599 3HD2 LEU 85 3HD2 LEU 85 1.477 0.963 3.105 600 H ALA 86 H ALA 86 3.524 0.153 -1.799 601 HA ALA 86 HA ALA 86 2.915 2.497 -3.227 602 1HB ALA 86 1HB ALA 86 5.188 0.729 -2.724 603 2HB ALA 86 2HB ALA 86 5.176 1.331 -4.399 604 3HB ALA 86 3HB ALA 86 5.159 2.480 -3.039 605 H PHE 87 H PHE 87 3.098 -0.994 -4.122 606 HA PHE 87 HA PHE 87 2.649 -0.514 -6.871 607 2HB PHE 87 2HB PHE 87 1.793 -3.072 -5.513 608 HD1 PHE 87 1HD PHE 87 5.047 -2.455 -7.111 609 HD2 PHE 87 2HD PHE 87 1.087 -3.881 -7.659 610 HE1 PHE 87 1HE PHE 87 5.713 -3.461 -9.312 611 HE2 PHE 87 2HE PHE 87 1.753 -4.886 -9.860 612 HZ PHE 87 HZ PHE 87 4.058 -4.664 -10.661 613 H LEU 88 H LEU 88 0.527 -1.624 -4.142 614 HA LEU 88 HA LEU 88 -1.776 -1.880 -5.695 615 2HB LEU 88 2HB LEU 88 -2.867 -1.522 -3.361 616 HG LEU 88 HG LEU 88 -2.788 -3.760 -4.052 617 1HD1 LEU 88 1HD1 LEU 88 0.229 -3.702 -3.768 618 2HD1 LEU 88 2HD1 LEU 88 -0.757 -5.100 -4.258 619 3HD1 LEU 88 3HD1 LEU 88 -0.682 -3.657 -5.296 620 1HD2 LEU 88 1HD2 LEU 88 -1.538 -3.201 -1.417 621 2HD2 LEU 88 2HD2 LEU 88 -3.039 -4.066 -1.825 622 3HD2 LEU 88 3HD2 LEU 88 -1.466 -4.880 -2.004 623 H ILE 89 H ILE 89 -0.398 0.890 -3.840 624 HA ILE 89 HA ILE 89 -2.586 2.593 -4.319 625 HB ILE 89 HB ILE 89 0.286 3.073 -3.545 626 2HG1 ILE 89 2HG1 ILE 89 -0.425 3.109 -1.356 627 1HG2 ILE 89 1HG2 ILE 89 -0.276 5.100 -4.570 628 2HG2 ILE 89 2HG2 ILE 89 -1.953 5.046 -3.976 629 3HG2 ILE 89 3HG2 ILE 89 -0.619 5.367 -2.843 630 1HD1 ILE 89 1HD1 ILE 89 -2.737 3.484 -0.628 631 2HD1 ILE 89 2HD1 ILE 89 -2.251 4.798 -1.725 632 3HD1 ILE 89 3HD1 ILE 89 -3.298 3.486 -2.317 633 H ARG 90 H ARG 90 0.565 2.053 -6.004 634 HA ARG 90 HA ARG 90 0.557 4.035 -7.760 635 2HB ARG 90 2HB ARG 90 1.192 1.769 -9.352 636 2HG ARG 90 2HG ARG 90 3.201 2.918 -7.414 637 2HD ARG 90 2HD ARG 90 3.828 3.166 -10.231 638 HE ARG 90 HE ARG 90 5.072 1.116 -8.491 639 1HH1 ARG 90 2HH2 ARG 90 5.083 4.480 -9.606 640 2HH1 ARG 90 1HH2 ARG 90 6.708 4.777 -9.085 641 2HH2 ARG 90 1HH ARG 90 7.942 3.017 -8.027 642 H GLU 91 H GLU 91 -1.582 1.166 -7.757 643 HA GLU 91 HA GLU 91 -2.563 1.606 -10.359 644 2HB GLU 91 2HB GLU 91 -4.516 0.127 -9.038 645 2HG GLU 91 2HG GLU 91 -2.486 -1.718 -9.713 646 HE2 GLU 91 HE GLU 91 -4.364 -1.340 -12.911 647 H LYS 92 H LYS 92 -3.499 2.637 -7.060 648 HA LYS 92 HA LYS 92 -5.917 3.870 -8.078 649 2HB LYS 92 2HB LYS 92 -6.642 3.925 -5.922 650 2HG LYS 92 2HG LYS 92 -5.798 1.991 -4.643 651 2HD LYS 92 2HD LYS 92 -5.669 1.445 -7.648 652 2HE LYS 92 2HE LYS 92 -6.893 -0.523 -5.789 653 1HZ LYS 92 1HZ LYS 92 -4.711 -1.164 -7.609 654 2HZ LYS 92 2HZ LYS 92 -6.129 -1.935 -7.396 655 H ALA 93 H ALA 93 -2.628 4.577 -8.007 656 HA ALA 93 HA ALA 93 -3.056 7.248 -8.769 657 1HB ALA 93 1HB ALA 93 -3.464 7.686 -6.426 658 2HB ALA 93 2HB ALA 93 -2.016 6.766 -5.950 659 3HB ALA 93 3HB ALA 93 -1.844 8.307 -6.826 660 H SER 94 H SER 94 -1.854 6.142 -10.507 661 HA SER 94 HA SER 94 0.723 5.155 -9.948 662 2HB SER 94 2HB SER 94 -0.678 4.408 -11.878 663 HG SER 94 HG SER 94 -0.122 6.159 -13.757 664 H HIS 95 H HIS 95 -0.485 8.261 -9.834 665 HA HIS 95 HA HIS 95 1.723 9.546 -11.166 666 2HB HIS 95 2HB HIS 95 0.537 11.618 -10.154 667 HD1 HIS 95 1HD HIS 95 -0.940 8.763 -12.250 668 HD2 HIS 95 2HD HIS 95 -0.441 12.926 -12.347 669 HE1 HIS 95 1HE HIS 95 -1.793 9.533 -14.528 670 H ARG 96 H ARG 96 0.330 10.078 -7.858 671 HA ARG 96 HA ARG 96 3.082 10.268 -6.950 672 2HB ARG 96 2HB ARG 96 2.332 11.773 -5.252 673 2HG ARG 96 2HG ARG 96 0.166 12.597 -7.109 674 2HD ARG 96 2HD ARG 96 2.368 13.758 -5.553 675 HE ARG 96 HE ARG 96 2.443 14.236 -8.432 676 1HH1 ARG 96 2HH2 ARG 96 2.996 15.733 -5.269 677 2HH1 ARG 96 1HH2 ARG 96 4.096 16.920 -5.884 678 2HH2 ARG 96 1HH ARG 96 4.610 16.943 -8.226 679 H ILE 97 H ILE 97 3.831 8.510 -5.809 680 HA ILE 97 HA ILE 97 1.838 6.984 -4.282 681 HB ILE 97 HB ILE 97 4.332 5.790 -5.452 682 2HG1 ILE 97 2HG1 ILE 97 2.113 6.821 -6.955 683 1HG2 ILE 97 1HG2 ILE 97 3.599 4.113 -4.173 684 2HG2 ILE 97 2HG2 ILE 97 1.995 4.854 -3.951 685 3HG2 ILE 97 3HG2 ILE 97 2.339 3.893 -5.410 686 1HD1 ILE 97 1HD1 ILE 97 4.378 6.924 -7.790 687 2HD1 ILE 97 2HD1 ILE 97 4.594 5.168 -7.590 688 3HD1 ILE 97 3HD1 ILE 97 3.494 5.792 -8.842 689 H VAL 98 H VAL 98 3.070 5.601 -2.508 690 HA VAL 98 HA VAL 98 4.556 7.559 -0.984 691 HB VAL 98 HB VAL 98 2.802 6.476 0.162 692 1HG1 VAL 98 1HG1 VAL 98 3.861 4.000 -1.144 693 2HG1 VAL 98 2HG1 VAL 98 3.060 3.845 0.438 694 3HG1 VAL 98 3HG1 VAL 98 2.183 4.559 -0.937 695 1HG2 VAL 98 1HG2 VAL 98 5.028 4.810 1.245 696 2HG2 VAL 98 2HG2 VAL 98 5.282 6.570 1.170 697 3HG2 VAL 98 3HG2 VAL 98 3.903 5.908 2.081 698 H HIS 99 H HIS 99 6.661 7.160 -0.068 699 HA HIS 99 HA HIS 99 8.086 4.847 -1.004 700 2HB HIS 99 2HB HIS 99 9.242 7.526 -1.754 701 HD1 HIS 99 1HD HIS 99 11.379 7.244 -3.098 702 HD2 HIS 99 2HD HIS 99 9.375 3.619 -2.440 703 HE1 HIS 99 1HE HIS 99 12.953 5.402 -3.897 704 H ARG 100 H ARG 100 10.424 4.916 -0.093 705 HA ARG 100 HA ARG 100 11.000 6.741 1.917 706 2HB ARG 100 2HB ARG 100 9.191 5.591 3.164 707 2HG ARG 100 2HG ARG 100 9.611 3.364 1.844 708 2HD ARG 100 2HD ARG 100 11.005 2.137 4.048 709 HE ARG 100 HE ARG 100 10.947 1.830 1.308 710 1HH1 ARG 100 2HH2 ARG 100 13.596 2.242 3.625 711 2HH1 ARG 100 1HH2 ARG 100 14.732 1.344 2.675 712 2HH2 ARG 100 1HH ARG 100 14.033 0.413 0.580 713 H VAL 101 H VAL 101 13.074 6.121 3.071 714 HA VAL 101 HA VAL 101 14.452 3.935 1.676 715 HB VAL 101 HB VAL 101 15.085 6.126 0.768 716 1HG1 VAL 101 1HG1 VAL 101 15.845 7.908 1.998 717 2HG1 VAL 101 2HG1 VAL 101 14.718 7.194 3.176 718 3HG1 VAL 101 3HG1 VAL 101 16.465 6.882 3.313 719 1HG2 VAL 101 1HG2 VAL 101 17.595 5.918 1.281 720 2HG2 VAL 101 2HG2 VAL 101 17.139 4.555 2.332 721 3HG2 VAL 101 3HG2 VAL 101 16.776 4.496 0.591 722 H VAL 102 H VAL 102 16.088 2.835 2.930 723 HA VAL 102 HA VAL 102 15.447 2.901 5.754 724 HB VAL 102 HB VAL 102 15.560 0.813 4.371 725 1HG1 VAL 102 1HG1 VAL 102 18.514 0.706 4.631 726 2HG1 VAL 102 2HG1 VAL 102 17.447 0.071 3.356 727 3HG1 VAL 102 3HG1 VAL 102 17.884 1.796 3.373 728 1HG2 VAL 102 1HG2 VAL 102 16.357 -0.502 6.143 729 2HG2 VAL 102 2HG2 VAL 102 17.575 0.706 6.617 730 3HG2 VAL 102 3HG2 VAL 102 15.850 1.014 6.926 731 H LYS 103 H LYS 103 16.369 4.888 6.448 732 HA LYS 103 HA LYS 103 19.013 4.724 7.277 733 2HB LYS 103 2HB LYS 103 18.847 6.798 5.115 734 2HG LYS 103 2HG LYS 103 21.329 5.315 5.410 735 2HD LYS 103 2HD LYS 103 20.484 7.947 4.933 736 2HE LYS 103 2HE LYS 103 21.840 7.696 7.652 737 1HZ LYS 103 1HZ LYS 103 22.847 9.659 7.285 738 2HZ LYS 103 2HZ LYS 103 22.512 9.521 5.697 739 H SER 104 H SER 104 16.239 6.771 6.280 740 HA SER 104 HA SER 104 16.543 8.116 8.836 741 2HB SER 104 2HB SER 104 15.433 9.975 6.935 742 HG SER 104 HG SER 104 16.555 10.762 8.716 743 H ASP 105 H ASP 105 14.347 9.575 9.112 744 HA ASP 105 HA ASP 105 12.247 7.640 8.699 745 2HB ASP 105 2HB ASP 105 12.132 10.259 10.258 746 HD2 ASP 105 HD ASP 105 8.823 9.124 10.365 747 H PHE 106 H PHE 106 9.996 8.603 8.095 748 HA PHE 106 HA PHE 106 9.752 11.130 6.970 749 2HB PHE 106 2HB PHE 106 9.688 9.126 4.740 750 HD1 PHE 106 1HD PHE 106 12.240 11.722 5.420 751 HD2 PHE 106 2HD PHE 106 8.711 10.710 3.291 752 HE1 PHE 106 1HE PHE 106 12.483 13.797 4.030 753 HE2 PHE 106 2HE PHE 106 8.955 12.786 1.900 754 HZ PHE 106 HZ PHE 106 10.839 14.305 2.286 755 H GLU 107 H GLU 107 7.579 11.565 6.671 756 HA GLU 107 HA GLU 107 5.854 9.230 6.882 757 2HB GLU 107 2HB GLU 107 4.145 10.815 7.758 758 2HG GLU 107 2HG GLU 107 6.885 10.639 9.025 759 HE2 GLU 107 HE GLU 107 7.117 11.953 11.149 760 H ILE 108 H ILE 108 3.871 9.158 5.570 761 HA ILE 108 HA ILE 108 3.823 11.020 3.332 762 HB ILE 108 HB ILE 108 3.524 8.139 2.670 763 2HG1 ILE 108 2HG1 ILE 108 6.161 9.457 3.321 764 1HG2 ILE 108 1HG2 ILE 108 5.034 10.102 1.015 765 2HG2 ILE 108 2HG2 ILE 108 3.900 8.817 0.535 766 3HG2 ILE 108 3HG2 ILE 108 3.280 10.348 1.198 767 1HD1 ILE 108 1HD1 ILE 108 4.513 7.299 4.401 768 2HD1 ILE 108 2HD1 ILE 108 6.112 6.694 3.905 769 3HD1 ILE 108 3HD1 ILE 108 5.990 8.031 5.074 770 H GLY 109 H GLY 109 1.738 11.358 2.483 771 1HA GLY 109 1HA GLY 109 -0.456 9.694 3.360 772 2HA GLY 109 2HA GLY 109 -0.408 11.275 4.115 773 H VAL 110 H VAL 110 -2.574 10.593 2.490 774 HA VAL 110 HA VAL 110 -2.249 12.561 0.386 775 HB VAL 110 HB VAL 110 -1.992 9.856 -0.190 776 1HG1 VAL 110 1HG1 VAL 110 -3.931 9.120 -1.328 777 2HG1 VAL 110 2HG1 VAL 110 -4.508 9.743 0.237 778 3HG1 VAL 110 3HG1 VAL 110 -4.695 10.726 -1.236 779 1HG2 VAL 110 1HG2 VAL 110 -1.746 10.565 -2.401 780 2HG2 VAL 110 2HG2 VAL 110 -2.962 11.853 -2.230 781 3HG2 VAL 110 3HG2 VAL 110 -1.365 12.029 -1.463 782 H THR 111 H THR 111 -4.518 12.970 -0.651 783 HA THR 111 HA THR 111 -6.520 12.712 1.498 784 HB THR 111 HB THR 111 -7.357 14.929 0.377 785 HG1 THR 111 1HG THR 111 -5.641 14.303 -1.397 786 1HG2 THR 111 1HG2 THR 111 -5.530 14.511 2.463 787 2HG2 THR 111 2HG2 THR 111 -4.647 15.598 1.364 788 3HG2 THR 111 3HG2 THR 111 -6.232 16.084 2.013 789 H ARG 112 H ARG 112 -5.689 12.182 -1.869 790 HA ARG 112 HA ARG 112 -8.131 10.736 -2.129 791 2HB ARG 112 2HB ARG 112 -9.251 12.137 -3.542 792 2HG ARG 112 2HG ARG 112 -6.969 13.982 -2.722 793 2HD ARG 112 2HD ARG 112 -8.538 14.427 -4.963 794 HE ARG 112 HE ARG 112 -10.373 14.802 -2.930 795 1HH1 ARG 112 2HH2 ARG 112 -8.805 17.005 -5.220 796 2HH1 ARG 112 1HH2 ARG 112 -10.132 18.118 -5.249 797 2HH2 ARG 112 1HH ARG 112 -12.073 17.665 -3.918 798 H ASP 113 H ASP 113 -5.169 12.087 -3.710 799 HA ASP 113 HA ASP 113 -3.867 9.853 -4.178 800 2HB ASP 113 2HB ASP 113 -6.223 9.925 -5.919 801 HD2 ASP 113 HD ASP 113 -5.243 10.822 -8.751 802 H GLY 114 H GLY 114 -5.075 12.959 -5.312 803 1HA GLY 114 1HA GLY 114 -2.978 13.459 -7.222 804 2HA GLY 114 2HA GLY 114 -4.197 14.579 -6.644 805 H GLU 115 H GLU 115 -3.936 15.320 -4.257 806 HA GLU 115 HA GLU 115 -1.266 16.256 -4.020 807 2HB GLU 115 2HB GLU 115 -2.112 17.651 -2.250 808 2HG GLU 115 2HG GLU 115 -4.699 17.793 -3.487 809 HE2 GLU 115 HE GLU 115 -1.419 19.457 -4.510 810 H ILE 116 H ILE 116 0.273 15.762 -2.390 811 HA ILE 116 HA ILE 116 -0.465 13.537 -0.630 812 HB ILE 116 HB ILE 116 1.712 12.526 -1.021 813 2HG1 ILE 116 2HG1 ILE 116 2.086 14.823 -2.949 814 1HG2 ILE 116 1HG2 ILE 116 -0.339 12.833 -3.127 815 2HG2 ILE 116 2HG2 ILE 116 1.223 12.169 -3.662 816 3HG2 ILE 116 3HG2 ILE 116 0.317 11.370 -2.355 817 1HD1 ILE 116 1HD1 ILE 116 4.450 14.457 -1.709 818 2HD1 ILE 116 2HD1 ILE 116 3.161 15.453 -0.992 819 3HD1 ILE 116 3HD1 ILE 116 3.391 13.772 -0.453 820 H ILE 117 H ILE 117 1.043 13.361 1.286 821 HA ILE 117 HA ILE 117 2.247 15.952 1.921 822 HB ILE 117 HB ILE 117 1.306 15.736 4.216 823 2HG1 ILE 117 2HG1 ILE 117 0.063 13.332 2.989 824 1HG2 ILE 117 1HG2 ILE 117 -0.839 15.976 2.097 825 2HG2 ILE 117 2HG2 ILE 117 -0.760 16.782 3.683 826 3HG2 ILE 117 3HG2 ILE 117 0.393 17.225 2.400 827 1HD1 ILE 117 1HD1 ILE 117 0.959 14.261 5.745 828 2HD1 ILE 117 2HD1 ILE 117 0.040 12.756 5.506 829 3HD1 ILE 117 3HD1 ILE 117 1.641 12.950 4.751 830 H VAL 118 H VAL 118 4.142 15.839 3.148 831 HA VAL 118 HA VAL 118 4.945 13.174 4.031 832 HB VAL 118 HB VAL 118 7.280 14.003 3.061 833 1HG1 VAL 118 1HG1 VAL 118 6.446 12.771 0.838 834 2HG1 VAL 118 2HG1 VAL 118 6.709 11.903 2.370 835 3HG1 VAL 118 3HG1 VAL 118 5.063 12.383 1.889 836 1HG2 VAL 118 1HG2 VAL 118 5.223 15.272 1.223 837 2HG2 VAL 118 2HG2 VAL 118 6.515 16.095 2.129 838 3HG2 VAL 118 3HG2 VAL 118 6.928 14.994 0.792 839 H ASP 119 H ASP 119 6.604 13.222 5.706 840 HA ASP 119 HA ASP 119 7.634 15.624 6.643 841 2HB ASP 119 2HB ASP 119 5.566 14.506 8.554 842 HD2 ASP 119 HD ASP 119 4.506 16.934 9.106 843 H LEU 120 H LEU 120 9.515 14.895 7.652 844 HA LEU 120 HA LEU 120 9.505 12.150 8.648 845 2HB LEU 120 2HB LEU 120 11.137 12.808 6.922 846 HG LEU 120 HG LEU 120 12.134 14.686 9.058 847 1HD1 LEU 120 1HD1 LEU 120 13.756 13.220 6.982 848 2HD1 LEU 120 2HD1 LEU 120 14.253 14.806 7.618 849 3HD1 LEU 120 3HD1 LEU 120 14.073 13.422 8.721 850 1HD2 LEU 120 1HD2 LEU 120 11.198 16.127 7.632 851 2HD2 LEU 120 2HD2 LEU 120 12.600 15.800 6.584 852 3HD2 LEU 120 3HD2 LEU 120 11.076 14.913 6.336 853 H ASN 121 H ASN 121 8.060 14.038 10.193 854 HA ASN 121 HA ASN 121 7.834 14.690 12.247 855 2HB ASN 121 2HB ASN 121 10.248 12.870 12.609 856 1HD2 ASN 121 1HD2 ASN 121 7.689 13.811 14.833 857 2HD2 ASN 121 2HD2 ASN 121 8.691 14.433 16.101 858 H SER 122 H SER 122 8.452 16.559 13.502 859 HA SER 122 HA SER 122 10.991 17.727 12.666 860 2HB SER 122 2HB SER 122 9.811 19.944 13.301 861 HG SER 122 HG SER 122 8.856 18.335 11.091 Start of MODEL 9 1 H MET 1 H MET 1 7.160 -13.689 -6.482 2 HA MET 1 HA MET 1 9.467 -15.298 -5.695 3 2HB MET 1 2HB MET 1 7.849 -16.615 -7.704 4 2HG MET 1 2HG MET 1 8.758 -17.072 -4.900 5 1HE MET 1 1HE MET 1 8.197 -18.705 -3.341 6 2HE MET 1 2HE MET 1 6.937 -17.535 -2.883 7 3HE MET 1 3HE MET 1 6.546 -19.268 -2.987 8 H ARG 2 H ARG 2 7.603 -13.940 -8.492 9 HA ARG 2 HA ARG 2 9.975 -13.142 -9.736 10 2HB ARG 2 2HB ARG 2 8.533 -15.187 -11.430 11 2HG ARG 2 2HG ARG 2 11.520 -14.875 -11.233 12 2HD ARG 2 2HD ARG 2 9.491 -15.846 -13.148 13 HE ARG 2 HE ARG 2 10.012 -14.123 -14.680 14 1HH1 ARG 2 2HH2 ARG 2 12.988 -15.417 -13.256 15 2HH1 ARG 2 1HH2 ARG 2 14.025 -14.608 -14.383 16 2HH2 ARG 2 1HH ARG 2 13.059 -13.224 -16.085 17 H GLU 3 H GLU 3 7.460 -11.984 -8.885 18 HA GLU 3 HA GLU 3 6.388 -11.260 -11.499 19 2HB GLU 3 2HB GLU 3 4.179 -10.879 -10.327 20 2HG GLU 3 2HG GLU 3 5.412 -13.364 -11.088 21 HE2 GLU 3 HE GLU 3 4.166 -15.669 -10.086 22 H ARG 4 H ARG 4 5.348 -9.005 -11.490 23 HA ARG 4 HA ARG 4 7.176 -7.278 -10.139 24 2HB ARG 4 2HB ARG 4 6.208 -5.511 -11.544 25 2HG ARG 4 2HG ARG 4 7.471 -7.747 -12.564 26 2HD ARG 4 2HD ARG 4 4.748 -8.026 -13.352 27 HE ARG 4 HE ARG 4 6.020 -6.363 -15.253 28 1HH1 ARG 4 2HH2 ARG 4 4.377 -9.502 -15.224 29 2HH1 ARG 4 1HH2 ARG 4 3.837 -9.375 -16.865 30 2HH2 ARG 4 1HH ARG 4 4.396 -7.422 -18.136 31 H GLY 5 H GLY 5 6.747 -6.411 -8.134 32 1HA GLY 5 1HA GLY 5 5.526 -5.257 -6.575 33 2HA GLY 5 2HA GLY 5 4.060 -5.518 -7.499 34 H TRP 6 H TRP 6 5.248 -6.128 -4.563 35 HA TRP 6 HA TRP 6 5.111 -7.756 -3.039 36 2HB TRP 6 2HB TRP 6 2.967 -7.503 -2.558 37 HD1 TRP 6 HD TRP 6 2.133 -5.189 -3.675 38 HE1 TRP 6 1HE TRP 6 0.593 -4.535 -5.717 39 HE3 TRP 6 3HE TRP 6 2.129 -9.796 -5.827 40 HZ2 TRP 6 2HZ TRP 6 -0.431 -5.985 -7.951 41 HZ3 TRP 6 3HZ TRP 6 0.834 -10.092 -7.937 42 HH2 TRP 6 HH TRP 6 -0.416 -8.280 -8.996 43 H SER 7 H SER 7 6.933 -8.976 -3.989 44 HA SER 7 HA SER 7 5.976 -11.531 -4.966 45 2HB SER 7 2HB SER 7 8.267 -11.368 -6.405 46 HG SER 7 HG SER 7 5.607 -11.121 -6.935 47 H GLN 8 H GLN 8 8.854 -9.578 -3.908 48 HA GLN 8 HA GLN 8 9.474 -11.744 -2.087 49 2HB GLN 8 2HB GLN 8 12.005 -11.083 -2.788 50 2HG GLN 8 2HG GLN 8 11.772 -13.011 -4.549 51 1HE2 GLN 8 1HE2 GLN 8 12.428 -14.932 -3.758 52 2HE2 GLN 8 2HE2 GLN 8 12.526 -15.335 -2.077 53 H LYS 9 H LYS 9 8.150 -9.520 -1.258 54 HA LYS 9 HA LYS 9 9.995 -7.445 -0.536 55 2HB LYS 9 2HB LYS 9 7.828 -6.804 0.860 56 2HG LYS 9 2HG LYS 9 8.770 -5.598 -1.142 57 2HD LYS 9 2HD LYS 9 7.013 -6.505 -3.173 58 2HE LYS 9 2HE LYS 9 9.940 -7.303 -2.983 59 1HZ LYS 9 1HZ LYS 9 8.033 -7.225 -5.020 60 2HZ LYS 9 2HZ LYS 9 9.092 -6.035 -5.355 61 H LYS 10 H LYS 10 7.713 -9.164 1.668 62 HA LYS 10 HA LYS 10 9.808 -10.342 3.178 63 2HB LYS 10 2HB LYS 10 8.419 -8.020 4.532 64 2HG LYS 10 2HG LYS 10 9.767 -10.208 5.578 65 2HD LYS 10 2HD LYS 10 11.732 -7.879 5.594 66 2HE LYS 10 2HE LYS 10 11.837 -10.794 6.490 67 1HZ LYS 10 1HZ LYS 10 13.917 -9.443 5.371 68 2HZ LYS 10 2HZ LYS 10 14.147 -9.143 6.955 69 H ILE 11 H ILE 11 6.684 -8.833 4.212 70 HA ILE 11 HA ILE 11 5.806 -11.427 5.108 71 HB ILE 11 HB ILE 11 4.312 -8.811 5.184 72 2HG1 ILE 11 2HG1 ILE 11 6.510 -8.430 6.155 73 1HG2 ILE 11 1HG2 ILE 11 2.793 -10.444 5.768 74 2HG2 ILE 11 2HG2 ILE 11 4.028 -11.480 6.526 75 3HG2 ILE 11 3HG2 ILE 11 3.476 -10.002 7.352 76 1HD1 ILE 11 1HD1 ILE 11 4.091 -7.978 7.417 77 2HD1 ILE 11 2HD1 ILE 11 4.998 -8.859 8.670 78 3HD1 ILE 11 3HD1 ILE 11 5.660 -7.356 7.984 79 H ALA 12 H ALA 12 6.149 -10.388 2.118 80 HA ALA 12 HA ALA 12 3.819 -10.148 0.814 81 1HB ALA 12 1HB ALA 12 6.404 -11.564 0.216 82 2HB ALA 12 2HB ALA 12 5.054 -11.724 -0.931 83 3HB ALA 12 3HB ALA 12 5.701 -10.113 -0.540 84 H ARG 13 H ARG 13 5.064 -13.044 2.476 85 HA ARG 13 HA ARG 13 3.416 -14.897 1.307 86 2HB ARG 13 2HB ARG 13 3.682 -16.059 3.663 87 2HG ARG 13 2HG ARG 13 6.437 -15.551 2.906 88 2HD ARG 13 2HD ARG 13 4.887 -17.905 1.852 89 HE ARG 13 HE ARG 13 7.116 -18.578 1.884 90 1HH1 ARG 13 2HH2 ARG 13 6.526 -16.599 4.763 91 2HH1 ARG 13 1HH2 ARG 13 8.120 -16.830 5.401 92 2HH2 ARG 13 1HH ARG 13 9.686 -18.178 4.187 93 H GLU 14 H GLU 14 2.973 -13.102 4.450 94 HA GLU 14 HA GLU 14 0.439 -14.078 4.934 95 2HB GLU 14 2HB GLU 14 0.949 -11.322 5.900 96 2HG GLU 14 2HG GLU 14 0.090 -13.995 6.929 97 HE2 GLU 14 HE GLU 14 0.709 -12.547 10.252 98 H LEU 15 H LEU 15 1.599 -11.640 2.696 99 HA LEU 15 HA LEU 15 -0.876 -10.244 2.474 100 2HB LEU 15 2HB LEU 15 0.491 -9.671 0.196 101 HG LEU 15 HG LEU 15 -0.203 -8.126 2.170 102 1HD1 LEU 15 1HD1 LEU 15 1.538 -9.327 3.674 103 2HD1 LEU 15 2HD1 LEU 15 2.715 -8.251 2.881 104 3HD1 LEU 15 3HD1 LEU 15 1.351 -7.561 3.793 105 1HD2 LEU 15 1HD2 LEU 15 0.928 -7.599 -0.126 106 2HD2 LEU 15 2HD2 LEU 15 0.870 -6.359 1.150 107 3HD2 LEU 15 3HD2 LEU 15 2.367 -7.281 0.872 108 H LYS 16 H LYS 16 0.901 -12.595 0.344 109 HA LYS 16 HA LYS 16 -1.064 -12.852 -1.559 110 2HB LYS 16 2HB LYS 16 1.297 -13.712 -1.638 111 2HG LYS 16 2HG LYS 16 0.226 -15.417 0.501 112 2HD LYS 16 2HD LYS 16 0.808 -16.681 -2.088 113 2HE LYS 16 2HE LYS 16 2.177 -18.060 0.213 114 1HZ LYS 16 1HZ LYS 16 3.540 -18.808 -1.706 115 2HZ LYS 16 2HZ LYS 16 1.967 -19.178 -1.908 116 H THR 17 H THR 17 -0.905 -14.106 1.747 117 HA THR 17 HA THR 17 -3.064 -15.973 1.304 118 HB THR 17 HB THR 17 -1.426 -15.044 3.712 119 HG1 THR 17 1HG THR 17 -0.508 -16.496 2.046 120 1HG2 THR 17 1HG2 THR 17 -3.944 -16.641 3.572 121 2HG2 THR 17 2HG2 THR 17 -2.600 -17.450 4.412 122 3HG2 THR 17 3HG2 THR 17 -3.177 -15.864 4.978 123 H THR 18 H THR 18 -2.644 -12.608 2.268 124 HA THR 18 HA THR 18 -5.204 -12.404 3.521 125 HB THR 18 HB THR 18 -2.954 -10.968 3.713 126 HG1 THR 18 1HG THR 18 -5.193 -10.734 4.714 127 1HG2 THR 18 1HG2 THR 18 -2.643 -9.311 2.159 128 2HG2 THR 18 2HG2 THR 18 -3.740 -10.238 1.108 129 3HG2 THR 18 3HG2 THR 18 -4.380 -8.927 2.129 130 H ARG 19 H ARG 19 -6.491 -10.261 2.502 131 HA ARG 19 HA ARG 19 -7.613 -9.444 0.793 132 2HB ARG 19 2HB ARG 19 -5.601 -10.668 -0.655 133 2HG ARG 19 2HG ARG 19 -8.261 -11.844 -1.593 134 2HD ARG 19 2HD ARG 19 -6.668 -11.127 -3.434 135 HE ARG 19 HE ARG 19 -4.773 -13.255 -2.645 136 1HH1 ARG 19 2HH2 ARG 19 -5.435 -9.777 -2.767 137 2HH1 ARG 19 1HH2 ARG 19 -3.772 -9.328 -2.595 138 2HH2 ARG 19 1HH ARG 19 -2.109 -11.042 -2.391 139 H GLN 20 H GLN 20 -9.813 -9.780 0.918 140 HA GLN 20 HA GLN 20 -10.709 -12.542 0.676 141 2HB GLN 20 2HB GLN 20 -11.072 -12.270 2.951 142 2HG GLN 20 2HG GLN 20 -12.104 -9.860 3.660 143 1HE2 GLN 20 1HE2 GLN 20 -9.573 -8.278 3.185 144 2HE2 GLN 20 2HE2 GLN 20 -8.391 -8.961 4.251 145 H ASN 21 H ASN 21 -10.765 -11.481 -1.650 146 HA ASN 21 HA ASN 21 -12.044 -10.964 -3.329 147 2HB ASN 21 2HB ASN 21 -14.625 -10.309 -2.258 148 1HD2 ASN 21 1HD2 ASN 21 -15.179 -13.286 -1.971 149 2HD2 ASN 21 2HD2 ASN 21 -15.205 -13.902 -3.591 150 H VAL 22 H VAL 22 -10.726 -8.975 -1.421 151 HA VAL 22 HA VAL 22 -12.457 -6.649 -1.714 152 HB VAL 22 HB VAL 22 -11.239 -7.325 0.428 153 1HG1 VAL 22 1HG1 VAL 22 -8.842 -5.842 -0.181 154 2HG1 VAL 22 2HG1 VAL 22 -9.016 -7.493 0.462 155 3HG1 VAL 22 3HG1 VAL 22 -8.999 -7.220 -1.297 156 1HG2 VAL 22 1HG2 VAL 22 -10.381 -4.727 0.538 157 2HG2 VAL 22 2HG2 VAL 22 -11.521 -4.669 -0.828 158 3HG2 VAL 22 3HG2 VAL 22 -12.066 -5.255 0.762 159 H SER 23 H SER 23 -9.793 -5.031 -1.671 160 HA SER 23 HA SER 23 -9.773 -4.180 -4.179 161 2HB SER 23 2HB SER 23 -7.012 -4.289 -3.273 162 HG SER 23 HG SER 23 -7.786 -2.457 -4.359 163 H ALA 24 H ALA 24 -7.493 -6.722 -2.904 164 HA ALA 24 HA ALA 24 -6.123 -8.094 -4.045 165 1HB ALA 24 1HB ALA 24 -8.558 -9.069 -3.848 166 2HB ALA 24 2HB ALA 24 -8.577 -8.872 -5.617 167 3HB ALA 24 3HB ALA 24 -7.351 -9.910 -4.850 168 H ILE 25 H ILE 25 -5.465 -5.763 -5.089 169 HA ILE 25 HA ILE 25 -6.107 -5.398 -7.801 170 HB ILE 25 HB ILE 25 -3.830 -4.406 -6.089 171 2HG1 ILE 25 2HG1 ILE 25 -6.378 -3.812 -5.710 172 1HG2 ILE 25 1HG2 ILE 25 -2.826 -3.630 -7.905 173 2HG2 ILE 25 2HG2 ILE 25 -4.093 -4.330 -8.940 174 3HG2 ILE 25 3HG2 ILE 25 -4.282 -2.682 -8.293 175 1HD1 ILE 25 1HD1 ILE 25 -3.859 -2.448 -5.318 176 2HD1 ILE 25 2HD1 ILE 25 -5.113 -1.245 -5.705 177 3HD1 ILE 25 3HD1 ILE 25 -5.337 -2.354 -4.330 178 H GLU 26 H GLU 26 -3.802 -7.451 -6.073 179 HA GLU 26 HA GLU 26 -2.142 -7.886 -8.303 180 2HB GLU 26 2HB GLU 26 -1.226 -8.279 -6.118 181 2HG GLU 26 2HG GLU 26 -3.810 -9.232 -5.488 182 HE2 GLU 26 HE GLU 26 -0.855 -11.070 -5.181 183 H ARG 27 H ARG 27 -5.022 -9.524 -6.902 184 HA ARG 27 HA ARG 27 -4.844 -11.747 -8.582 185 2HB ARG 27 2HB ARG 27 -7.536 -11.568 -7.921 186 2HG ARG 27 2HG ARG 27 -6.221 -12.489 -5.569 187 2HD ARG 27 2HD ARG 27 -6.587 -14.774 -6.764 188 HE ARG 27 HE ARG 27 -8.521 -12.935 -5.721 189 1HH1 ARG 27 2HH2 ARG 27 -8.367 -15.879 -7.688 190 2HH1 ARG 27 1HH2 ARG 27 -9.953 -16.411 -7.238 191 2HH2 ARG 27 1HH ARG 27 -11.255 -15.078 -5.731 192 H LYS 28 H LYS 28 -6.658 -8.621 -8.703 193 HA LYS 28 HA LYS 28 -8.122 -9.232 -11.018 194 2HB LYS 28 2HB LYS 28 -7.649 -6.412 -10.775 195 2HG LYS 28 2HG LYS 28 -9.771 -8.119 -11.219 196 2HD LYS 28 2HD LYS 28 -10.680 -6.763 -8.721 197 2HE LYS 28 2HE LYS 28 -11.377 -9.527 -8.830 198 1HZ LYS 28 1HZ LYS 28 -13.533 -8.359 -9.681 199 2HZ LYS 28 2HZ LYS 28 -13.021 -8.049 -8.167 200 H ALA 29 H ALA 29 -5.206 -7.096 -10.601 201 HA ALA 29 HA ALA 29 -4.701 -6.572 -13.203 202 1HB ALA 29 1HB ALA 29 -3.380 -5.528 -11.536 203 2HB ALA 29 2HB ALA 29 -2.874 -7.086 -10.839 204 3HB ALA 29 3HB ALA 29 -2.239 -6.571 -12.420 205 H MET 30 H MET 30 -3.535 -9.466 -11.340 206 HA MET 30 HA MET 30 -2.290 -10.616 -13.546 207 2HB MET 30 2HB MET 30 -3.332 -11.614 -10.861 208 2HG MET 30 2HG MET 30 -2.468 -13.250 -13.215 209 1HE MET 30 1HE MET 30 -1.180 -15.425 -13.233 210 2HE MET 30 2HE MET 30 -0.414 -16.187 -11.818 211 3HE MET 30 3HE MET 30 -2.188 -16.081 -11.921 212 H GLU 31 H GLU 31 -5.651 -10.438 -12.545 213 HA GLU 31 HA GLU 31 -6.435 -12.758 -13.986 214 2HB GLU 31 2HB GLU 31 -8.727 -11.191 -13.583 215 2HG GLU 31 2HG GLU 31 -7.335 -13.441 -12.164 216 HE2 GLU 31 HE GLU 31 -8.120 -14.169 -10.227 217 H ASN 32 H ASN 32 -4.895 -11.316 -15.743 218 HA ASN 32 HA ASN 32 -4.831 -10.247 -17.642 219 2HB ASN 32 2HB ASN 32 -6.949 -10.803 -19.174 220 1HD2 ASN 32 1HD2 ASN 32 -6.351 -12.200 -20.683 221 2HD2 ASN 32 2HD2 ASN 32 -5.095 -13.385 -20.545 222 H ILE 33 H ILE 33 -5.930 -8.670 -15.433 223 HA ILE 33 HA ILE 33 -8.295 -7.381 -15.935 224 HB ILE 33 HB ILE 33 -6.226 -7.206 -14.122 225 2HG1 ILE 33 2HG1 ILE 33 -8.425 -7.058 -13.360 226 1HG2 ILE 33 1HG2 ILE 33 -6.509 -4.517 -15.491 227 2HG2 ILE 33 2HG2 ILE 33 -5.624 -4.846 -13.982 228 3HG2 ILE 33 3HG2 ILE 33 -5.065 -5.559 -15.515 229 1HD1 ILE 33 1HD1 ILE 33 -8.521 -5.051 -12.050 230 2HD1 ILE 33 2HD1 ILE 33 -6.788 -5.396 -12.266 231 3HD1 ILE 33 3HD1 ILE 33 -7.575 -4.136 -13.248 232 H GLU 34 H GLU 34 -9.036 -6.197 -17.606 233 HA GLU 34 HA GLU 34 -7.595 -4.139 -18.729 234 2HB GLU 34 2HB GLU 34 -6.208 -5.944 -19.738 235 2HG GLU 34 2HG GLU 34 -8.676 -7.267 -20.056 236 HE2 GLU 34 HE GLU 34 -9.107 -8.478 -22.222 237 H LYS 35 H LYS 35 -10.216 -4.726 -17.663 238 HA LYS 35 HA LYS 35 -11.789 -3.963 -19.998 239 2HB LYS 35 2HB LYS 35 -13.540 -5.549 -18.540 240 2HG LYS 35 2HG LYS 35 -11.921 -5.954 -21.079 241 2HD LYS 35 2HD LYS 35 -13.708 -7.819 -21.495 242 2HE LYS 35 2HE LYS 35 -11.887 -8.896 -19.419 243 1HZ LYS 35 1HZ LYS 35 -11.895 -9.293 -22.358 244 2HZ LYS 35 2HZ LYS 35 -11.304 -10.308 -21.231 245 H SER 36 H SER 36 -10.471 -2.880 -17.340 246 HA SER 36 HA SER 36 -10.931 -1.356 -15.867 247 2HB SER 36 2HB SER 36 -13.322 -0.121 -16.371 248 HG SER 36 HG SER 36 -10.793 0.421 -16.812 249 H ARG 37 H ARG 37 -11.234 -3.407 -14.480 250 HA ARG 37 HA ARG 37 -13.526 -4.605 -13.909 251 2HB ARG 37 2HB ARG 37 -11.870 -3.724 -11.542 252 2HG ARG 37 2HG ARG 37 -13.705 -5.610 -11.644 253 2HD ARG 37 2HD ARG 37 -11.821 -7.694 -12.167 254 HE ARG 37 HE ARG 37 -14.484 -7.109 -12.837 255 1HH1 ARG 37 2HH2 ARG 37 -11.701 -8.550 -14.491 256 2HH1 ARG 37 1HH2 ARG 37 -12.672 -9.546 -15.522 257 2HH2 ARG 37 1HH ARG 37 -15.060 -9.455 -15.333 258 H ASN 38 H ASN 38 -12.431 -1.388 -12.692 259 HA ASN 38 HA ASN 38 -13.668 0.341 -12.113 260 2HB ASN 38 2HB ASN 38 -16.208 -1.187 -11.577 261 1HD2 ASN 38 1HD2 ASN 38 -17.015 0.587 -10.600 262 2HD2 ASN 38 2HD2 ASN 38 -17.292 2.110 -11.376 263 H THR 39 H THR 39 -12.659 -2.237 -10.481 264 HA THR 39 HA THR 39 -14.146 -2.087 -8.039 265 HB THR 39 HB THR 39 -11.473 -3.375 -8.808 266 HG1 THR 39 1HG THR 39 -13.122 -5.240 -8.716 267 1HG2 THR 39 1HG2 THR 39 -12.059 -3.037 -6.252 268 2HG2 THR 39 2HG2 THR 39 -13.338 -4.236 -6.564 269 3HG2 THR 39 3HG2 THR 39 -11.630 -4.669 -6.816 270 H LEU 40 H LEU 40 -10.582 -1.699 -8.264 271 HA LEU 40 HA LEU 40 -10.328 -0.139 -6.064 272 2HB LEU 40 2HB LEU 40 -8.544 -1.223 -7.450 273 HG LEU 40 HG LEU 40 -8.854 1.295 -9.089 274 1HD1 LEU 40 1HD1 LEU 40 -6.473 -0.236 -9.720 275 2HD1 LEU 40 2HD1 LEU 40 -6.666 1.507 -9.414 276 3HD1 LEU 40 3HD1 LEU 40 -6.428 0.386 -8.052 277 1HD2 LEU 40 1HD2 LEU 40 -8.614 -0.275 -10.983 278 2HD2 LEU 40 2HD2 LEU 40 -8.558 -1.628 -9.829 279 3HD2 LEU 40 3HD2 LEU 40 -10.027 -0.632 -9.962 280 H ASP 41 H ASP 41 -11.522 0.771 -9.273 281 HA ASP 41 HA ASP 41 -11.156 3.504 -9.022 282 2HB ASP 41 2HB ASP 41 -13.499 2.166 -10.438 283 HD2 ASP 41 HD ASP 41 -13.650 4.764 -12.671 284 H PHE 42 H PHE 42 -14.106 1.409 -8.522 285 HA PHE 42 HA PHE 42 -15.812 3.341 -7.610 286 2HB PHE 42 2HB PHE 42 -15.351 0.368 -7.100 287 HD1 PHE 42 1HD PHE 42 -16.055 -0.621 -5.153 288 HD2 PHE 42 2HD PHE 42 -18.138 2.805 -6.544 289 HE1 PHE 42 1HE PHE 42 -17.635 -0.793 -3.210 290 HE2 PHE 42 2HE PHE 42 -19.718 2.633 -4.601 291 HZ PHE 42 HZ PHE 42 -19.448 0.836 -2.957 292 H VAL 43 H VAL 43 -13.158 1.673 -5.905 293 HA VAL 43 HA VAL 43 -14.016 2.666 -3.342 294 HB VAL 43 HB VAL 43 -12.304 0.636 -4.362 295 1HG1 VAL 43 1HG1 VAL 43 -10.480 2.307 -4.093 296 2HG1 VAL 43 2HG1 VAL 43 -10.897 2.443 -2.368 297 3HG1 VAL 43 3HG1 VAL 43 -10.301 0.898 -3.020 298 1HG2 VAL 43 1HG2 VAL 43 -13.557 1.419 -1.774 299 2HG2 VAL 43 2HG2 VAL 43 -13.654 -0.108 -2.684 300 3HG2 VAL 43 3HG2 VAL 43 -12.212 0.255 -1.705 301 H LYS 44 H LYS 44 -12.066 3.708 -6.061 302 HA LYS 44 HA LYS 44 -10.382 5.461 -4.614 303 2HB LYS 44 2HB LYS 44 -10.419 4.453 -7.149 304 2HG LYS 44 2HG LYS 44 -12.209 6.222 -7.706 305 2HD LYS 44 2HD LYS 44 -10.137 7.917 -6.549 306 2HE LYS 44 2HE LYS 44 -10.908 9.529 -8.744 307 1HZ LYS 44 1HZ LYS 44 -8.720 9.972 -8.585 308 2HZ LYS 44 2HZ LYS 44 -8.606 8.855 -7.405 309 H SER 45 H SER 45 -13.564 5.782 -6.276 310 HA SER 45 HA SER 45 -13.831 8.466 -6.199 311 2HB SER 45 2HB SER 45 -15.990 6.393 -5.607 312 HG SER 45 HG SER 45 -16.989 8.345 -5.304 313 H LEU 46 H LEU 46 -14.361 6.073 -3.553 314 HA LEU 46 HA LEU 46 -15.614 7.473 -1.664 315 2HB LEU 46 2HB LEU 46 -13.380 6.267 -0.385 316 HG LEU 46 HG LEU 46 -16.091 5.044 -0.966 317 1HD1 LEU 46 1HD1 LEU 46 -15.447 3.267 0.197 318 2HD1 LEU 46 2HD1 LEU 46 -13.790 3.914 0.181 319 3HD1 LEU 46 3HD1 LEU 46 -14.877 4.284 1.541 320 1HD2 LEU 46 1HD2 LEU 46 -17.039 6.220 0.704 321 2HD2 LEU 46 2HD2 LEU 46 -15.555 6.235 1.689 322 3HD2 LEU 46 3HD2 LEU 46 -15.745 7.387 0.344 323 H LYS 47 H LYS 47 -12.044 7.702 -2.302 324 HA LYS 47 HA LYS 47 -10.604 9.336 -1.944 325 2HB LYS 47 2HB LYS 47 -11.609 11.722 -1.700 326 2HG LYS 47 2HG LYS 47 -12.166 9.988 -4.154 327 2HD LYS 47 2HD LYS 47 -12.378 12.919 -3.607 328 2HE LYS 47 2HE LYS 47 -11.214 11.863 -6.228 329 1HZ LYS 47 1HZ LYS 47 -12.733 13.918 -6.160 330 2HZ LYS 47 2HZ LYS 47 -11.518 14.680 -5.390 331 H SER 48 H SER 48 -10.636 7.792 0.116 332 HA SER 48 HA SER 48 -11.412 9.317 2.444 333 2HB SER 48 2HB SER 48 -11.919 6.823 2.161 334 HG SER 48 HG SER 48 -9.308 6.294 3.151 335 HA PRO 49 HA PRO 49 -7.270 10.568 3.035 336 2HB PRO 49 2HB PRO 49 -7.932 12.503 4.092 337 2HG PRO 49 2HG PRO 49 -10.086 12.462 4.917 338 2HD PRO 49 2HD PRO 49 -11.014 10.858 3.556 339 H VAL 50 H VAL 50 -5.273 10.033 3.996 340 HA VAL 50 HA VAL 50 -5.407 8.131 6.155 341 HB VAL 50 HB VAL 50 -4.344 7.339 3.436 342 1HG1 VAL 50 1HG1 VAL 50 -3.589 6.465 6.039 343 2HG1 VAL 50 2HG1 VAL 50 -4.524 5.154 5.281 344 3HG1 VAL 50 3HG1 VAL 50 -3.087 5.810 4.462 345 1HG2 VAL 50 1HG2 VAL 50 -6.100 5.560 3.574 346 2HG2 VAL 50 2HG2 VAL 50 -6.753 6.379 5.014 347 3HG2 VAL 50 3HG2 VAL 50 -6.751 7.212 3.441 348 H ARG 51 H ARG 51 -3.400 7.962 7.264 349 HA ARG 51 HA ARG 51 -1.223 9.459 6.108 350 2HB ARG 51 2HB ARG 51 -2.192 9.984 8.960 351 2HG ARG 51 2HG ARG 51 -0.224 11.480 7.164 352 2HD ARG 51 2HD ARG 51 -0.441 11.905 10.134 353 HE ARG 51 HE ARG 51 -0.147 14.080 8.158 354 1HH1 ARG 51 2HH2 ARG 51 1.510 11.733 10.232 355 2HH1 ARG 51 1HH2 ARG 51 3.011 12.596 10.221 356 2HH2 ARG 51 1HH ARG 51 3.180 14.642 8.985 357 H ILE 52 H ILE 52 0.794 8.552 6.642 358 HA ILE 52 HA ILE 52 1.022 6.876 8.968 359 HB ILE 52 HB ILE 52 2.019 5.188 6.997 360 2HG1 ILE 52 2HG1 ILE 52 0.632 6.565 5.378 361 1HG2 ILE 52 1HG2 ILE 52 -0.631 4.948 8.443 362 2HG2 ILE 52 2HG2 ILE 52 0.393 3.631 7.824 363 3HG2 ILE 52 3HG2 ILE 52 0.956 4.632 9.184 364 1HD1 ILE 52 1HD1 ILE 52 -0.150 4.617 4.175 365 2HD1 ILE 52 2HD1 ILE 52 1.334 4.137 5.034 366 3HD1 ILE 52 3HD1 ILE 52 -0.258 3.664 5.676 367 H LEU 53 H LEU 53 3.244 6.459 9.518 368 HA LEU 53 HA LEU 53 5.033 8.317 8.140 369 2HB LEU 53 2HB LEU 53 4.812 7.258 10.920 370 HG LEU 53 HG LEU 53 7.374 8.225 9.649 371 1HD1 LEU 53 1HD1 LEU 53 8.070 9.307 11.478 372 2HD1 LEU 53 2HD1 LEU 53 6.344 9.401 11.905 373 3HD1 LEU 53 3HD1 LEU 53 7.359 8.105 12.582 374 1HD2 LEU 53 1HD2 LEU 53 7.904 6.333 11.625 375 2HD2 LEU 53 2HD2 LEU 53 6.430 5.740 10.822 376 3HD2 LEU 53 3HD2 LEU 53 7.892 6.073 9.864 377 H CYS 54 H CYS 54 7.074 7.658 7.355 378 HA CYS 54 HA CYS 54 7.258 4.756 7.027 379 2HB CYS 54 2HB CYS 54 8.185 7.037 5.267 380 HG CYS 54 HG CYS 54 10.157 5.908 4.593 381 H ARG 55 H ARG 55 9.004 3.729 7.977 382 HA ARG 55 HA ARG 55 11.043 5.503 9.057 383 2HB ARG 55 2HB ARG 55 11.416 3.212 10.484 384 2HG ARG 55 2HG ARG 55 9.251 4.356 11.846 385 2HD ARG 55 2HD ARG 55 11.084 5.791 12.929 386 HE ARG 55 HE ARG 55 11.055 2.862 12.793 387 1HH1 ARG 55 2HH2 ARG 55 12.627 5.673 14.271 388 2HH1 ARG 55 1HH2 ARG 55 13.204 4.785 15.642 389 2HH2 ARG 55 1HH ARG 55 12.715 2.445 15.815 390 H ARG 56 H ARG 56 13.081 3.705 9.644 391 HA ARG 56 HA ARG 56 14.342 3.416 7.269 392 2HB ARG 56 2HB ARG 56 15.562 1.451 8.758 393 2HG ARG 56 2HG ARG 56 16.051 4.131 9.907 394 2HD ARG 56 2HD ARG 56 18.313 3.678 8.798 395 HE ARG 56 HE ARG 56 17.161 2.289 11.017 396 1HH1 ARG 56 2HH2 ARG 56 19.914 2.015 8.802 397 2HH1 ARG 56 1HH2 ARG 56 20.903 1.162 9.940 398 2HH2 ARG 56 1HH ARG 56 20.031 0.672 12.118 399 H GLY 57 H GLY 57 14.294 1.912 5.599 400 1HA GLY 57 1HA GLY 57 12.259 0.109 5.262 401 2HA GLY 57 2HA GLY 57 13.807 0.045 4.441 402 H ASP 58 H ASP 58 15.338 -0.277 7.034 403 HA ASP 58 HA ASP 58 15.463 -3.016 7.029 404 2HB ASP 58 2HB ASP 58 16.173 -1.358 9.472 405 HD2 ASP 58 HD ASP 58 18.988 -2.145 8.544 406 H THR 59 H THR 59 13.260 -0.782 8.589 407 HA THR 59 HA THR 59 12.268 -2.939 10.337 408 HB THR 59 HB THR 59 13.169 -0.371 11.005 409 HG1 THR 59 1HG THR 59 12.812 -2.167 12.454 410 1HG2 THR 59 1HG2 THR 59 10.161 -0.378 11.414 411 2HG2 THR 59 2HG2 THR 59 11.301 0.982 11.549 412 3HG2 THR 59 3HG2 THR 59 10.842 0.362 9.945 413 H LEU 60 H LEU 60 11.782 -1.811 7.348 414 HA LEU 60 HA LEU 60 9.202 -0.917 7.190 415 2HB LEU 60 2HB LEU 60 10.231 -2.888 5.195 416 HG LEU 60 HG LEU 60 8.145 -1.472 4.803 417 1HD1 LEU 60 1HD1 LEU 60 8.338 0.826 4.281 418 2HD1 LEU 60 2HD1 LEU 60 9.180 0.597 5.833 419 3HD1 LEU 60 3HD1 LEU 60 10.117 0.767 4.329 420 1HD2 LEU 60 1HD2 LEU 60 8.878 -0.880 2.447 421 2HD2 LEU 60 2HD2 LEU 60 10.499 -1.453 2.910 422 3HD2 LEU 60 3HD2 LEU 60 9.115 -2.571 2.952 423 H ASP 61 H ASP 61 10.429 -4.278 7.578 424 HA ASP 61 HA ASP 61 8.096 -5.603 7.152 425 2HB ASP 61 2HB ASP 61 9.916 -7.020 7.478 426 HD2 ASP 61 HD ASP 61 12.432 -7.063 8.591 427 H GLU 62 H GLU 62 9.456 -4.212 10.227 428 HA GLU 62 HA GLU 62 7.185 -4.953 11.731 429 2HB GLU 62 2HB GLU 62 8.896 -2.749 12.763 430 2HG GLU 62 2HG GLU 62 8.939 -5.371 14.103 431 HE2 GLU 62 HE GLU 62 9.535 -4.155 16.479 432 H ILE 63 H ILE 63 8.286 -2.021 9.990 433 HA ILE 63 HA ILE 63 6.418 -0.248 11.067 434 HB ILE 63 HB ILE 63 8.520 -0.178 9.257 435 2HG1 ILE 63 2HG1 ILE 63 8.022 2.319 9.298 436 1HG2 ILE 63 1HG2 ILE 63 7.778 0.752 7.235 437 2HG2 ILE 63 2HG2 ILE 63 6.724 -0.656 7.504 438 3HG2 ILE 63 3HG2 ILE 63 6.121 0.984 7.844 439 1HD1 ILE 63 1HD1 ILE 63 6.091 3.116 10.200 440 2HD1 ILE 63 2HD1 ILE 63 5.447 1.475 9.957 441 3HD1 ILE 63 3HD1 ILE 63 6.135 1.936 11.532 442 H ILE 64 H ILE 64 6.138 -2.890 8.767 443 HA ILE 64 HA ILE 64 3.845 -1.993 7.423 444 HB ILE 64 HB ILE 64 5.122 -4.669 7.889 445 2HG1 ILE 64 2HG1 ILE 64 5.822 -2.675 6.218 446 1HG2 ILE 64 1HG2 ILE 64 3.486 -5.563 6.191 447 2HG2 ILE 64 2HG2 ILE 64 2.820 -5.247 7.811 448 3HG2 ILE 64 3HG2 ILE 64 2.505 -4.106 6.482 449 1HD1 ILE 64 1HD1 ILE 64 6.249 -5.536 6.422 450 2HD1 ILE 64 2HD1 ILE 64 6.208 -5.062 4.706 451 3HD1 ILE 64 3HD1 ILE 64 7.360 -4.284 5.819 452 H LYS 65 H LYS 65 4.295 -4.107 10.334 453 HA LYS 65 HA LYS 65 1.540 -4.464 10.752 454 2HB LYS 65 2HB LYS 65 3.265 -5.971 11.632 455 2HG LYS 65 2HG LYS 65 4.113 -3.453 13.034 456 2HD LYS 65 2HD LYS 65 3.335 -4.968 14.892 457 2HE LYS 65 2HE LYS 65 4.985 -6.902 13.322 458 1HZ LYS 65 1HZ LYS 65 5.517 -6.363 16.096 459 2HZ LYS 65 2HZ LYS 65 5.094 -7.915 15.844 460 H ARG 66 H ARG 66 3.873 -1.927 11.651 461 HA ARG 66 HA ARG 66 2.165 -0.767 13.558 462 2HB ARG 66 2HB ARG 66 3.805 1.281 13.020 463 2HG ARG 66 2HG ARG 66 5.644 0.059 14.324 464 2HD ARG 66 2HD ARG 66 2.804 0.448 15.148 465 HE ARG 66 HE ARG 66 2.882 -1.414 16.562 466 1HH1 ARG 66 2HH2 ARG 66 6.081 0.109 16.515 467 2HH1 ARG 66 1HH2 ARG 66 6.717 -0.903 17.770 468 2HH2 ARG 66 1HH ARG 66 5.313 -2.577 18.753 469 H LEU 67 H LEU 67 2.717 -0.435 10.044 470 HA LEU 67 HA LEU 67 1.351 2.012 9.735 471 2HB LEU 67 2HB LEU 67 1.204 1.137 7.313 472 HG LEU 67 HG LEU 67 3.824 1.590 8.741 473 1HD1 LEU 67 1HD1 LEU 67 4.879 1.753 6.481 474 2HD1 LEU 67 2HD1 LEU 67 4.410 0.104 6.959 475 3HD1 LEU 67 3HD1 LEU 67 3.411 1.012 5.797 476 1HD2 LEU 67 1HD2 LEU 67 2.525 3.567 8.573 477 2HD2 LEU 67 2HD2 LEU 67 3.776 3.670 7.313 478 3HD2 LEU 67 3HD2 LEU 67 2.106 3.237 6.876 479 H LEU 68 H LEU 68 0.362 -1.453 9.330 480 HA LEU 68 HA LEU 68 -2.190 -1.076 8.478 481 2HB LEU 68 2HB LEU 68 -0.733 -3.196 9.054 482 HG LEU 68 HG LEU 68 -1.146 -2.862 11.582 483 1HD1 LEU 68 1HD1 LEU 68 -3.361 -4.203 12.148 484 2HD1 LEU 68 2HD1 LEU 68 -3.360 -2.437 11.931 485 3HD1 LEU 68 3HD1 LEU 68 -3.894 -3.496 10.604 486 1HD2 LEU 68 1HD2 LEU 68 -2.020 -5.590 11.108 487 2HD2 LEU 68 2HD2 LEU 68 -0.728 -5.107 9.983 488 3HD2 LEU 68 3HD2 LEU 68 -0.474 -4.974 11.741 489 H GLU 69 H GLU 69 -0.945 -0.933 11.867 490 HA GLU 69 HA GLU 69 -3.401 -0.612 13.065 491 2HB GLU 69 2HB GLU 69 -2.167 0.138 15.005 492 2HG GLU 69 2HG GLU 69 0.123 -1.384 14.073 493 HE2 GLU 69 HE GLU 69 -0.761 -3.903 15.572 494 H GLU 70 H GLU 70 -1.504 1.576 11.095 495 HA GLU 70 HA GLU 70 -2.939 3.866 12.109 496 2HB GLU 70 2HB GLU 70 -1.470 5.105 10.426 497 2HG GLU 70 2HG GLU 70 0.664 3.827 11.832 498 HE2 GLU 70 HE GLU 70 1.039 6.677 13.575 499 H SER 71 H SER 71 -2.629 1.810 9.175 500 HA SER 71 HA SER 71 -4.582 3.426 7.823 501 2HB SER 71 2HB SER 71 -4.148 1.981 5.899 502 HG SER 71 HG SER 71 -1.533 2.105 7.013 503 H ASN 72 H ASN 72 -4.199 -0.132 8.529 504 HA ASN 72 HA ASN 72 -6.581 -1.042 7.932 505 2HB ASN 72 2HB ASN 72 -5.653 -1.799 10.700 506 1HD2 ASN 72 1HD2 ASN 72 -5.715 -4.045 10.989 507 2HD2 ASN 72 2HD2 ASN 72 -6.639 -5.087 9.960 508 H LYS 73 H LYS 73 -5.741 1.043 10.725 509 HA LYS 73 HA LYS 73 -8.081 0.736 12.200 510 2HB LYS 73 2HB LYS 73 -7.111 3.389 12.513 511 2HG LYS 73 2HG LYS 73 -5.852 1.777 14.423 512 2HD LYS 73 2HD LYS 73 -7.880 3.696 14.340 513 2HE LYS 73 2HE LYS 73 -9.643 2.666 15.852 514 1HZ LYS 73 1HZ LYS 73 -10.599 1.285 13.916 515 2HZ LYS 73 2HZ LYS 73 -10.343 2.869 13.639 516 H GLU 74 H GLU 74 -7.184 3.214 9.700 517 HA GLU 74 HA GLU 74 -9.939 4.058 9.684 518 2HB GLU 74 2HB GLU 74 -8.099 5.744 9.669 519 2HG GLU 74 2HG GLU 74 -7.554 5.149 6.775 520 HE2 GLU 74 HE GLU 74 -4.511 6.111 8.971 521 H GLY 75 H GLY 75 -8.433 1.462 8.447 522 1HA GLY 75 1HA GLY 75 -9.916 1.597 5.889 523 2HA GLY 75 2HA GLY 75 -8.328 0.872 6.030 524 H ILE 76 H ILE 76 -9.759 -0.984 5.072 525 HA ILE 76 HA ILE 76 -11.286 -2.342 7.140 526 HB ILE 76 HB ILE 76 -12.184 -2.047 4.853 527 2HG1 ILE 76 2HG1 ILE 76 -11.751 -4.929 5.693 528 1HG2 ILE 76 1HG2 ILE 76 -11.320 -3.360 3.005 529 2HG2 ILE 76 2HG2 ILE 76 -10.059 -2.265 3.624 530 3HG2 ILE 76 3HG2 ILE 76 -10.014 -3.998 4.032 531 1HD1 ILE 76 1HD1 ILE 76 -13.533 -2.694 6.661 532 2HD1 ILE 76 2HD1 ILE 76 -14.178 -4.352 6.628 533 3HD1 ILE 76 3HD1 ILE 76 -12.729 -3.980 7.592 534 H HIS 77 H HIS 77 -10.893 -4.722 7.479 535 HA HIS 77 HA HIS 77 -8.435 -5.194 8.468 536 2HB HIS 77 2HB HIS 77 -9.537 -7.645 7.382 537 HD1 HIS 77 1HD HIS 77 -7.841 -8.710 9.017 538 HD2 HIS 77 2HD HIS 77 -10.625 -6.180 10.874 539 HE1 HIS 77 1HE HIS 77 -7.606 -9.107 11.527 540 H VAL 78 H VAL 78 -6.596 -4.658 7.320 541 HA VAL 78 HA VAL 78 -6.115 -6.300 4.947 542 HB VAL 78 HB VAL 78 -6.102 -3.331 5.185 543 1HG1 VAL 78 1HG1 VAL 78 -4.083 -4.917 3.573 544 2HG1 VAL 78 2HG1 VAL 78 -4.512 -3.226 3.217 545 3HG1 VAL 78 3HG1 VAL 78 -3.772 -3.647 4.781 546 1HG2 VAL 78 1HG2 VAL 78 -6.506 -5.016 2.712 547 2HG2 VAL 78 2HG2 VAL 78 -7.798 -4.804 3.917 548 3HG2 VAL 78 3HG2 VAL 78 -7.127 -3.388 3.075 549 H ILE 79 H ILE 79 -4.052 -7.162 4.851 550 HA ILE 79 HA ILE 79 -2.231 -6.270 6.977 551 HB ILE 79 HB ILE 79 -1.436 -8.695 6.919 552 2HG1 ILE 79 2HG1 ILE 79 -2.933 -9.083 4.795 553 1HG2 ILE 79 1HG2 ILE 79 -3.547 -7.376 8.354 554 2HG2 ILE 79 2HG2 ILE 79 -3.932 -9.105 8.177 555 3HG2 ILE 79 3HG2 ILE 79 -2.392 -8.608 8.917 556 1HD1 ILE 79 1HD1 ILE 79 -2.556 -10.977 7.146 557 2HD1 ILE 79 2HD1 ILE 79 -3.280 -11.511 5.611 558 3HD1 ILE 79 3HD1 ILE 79 -1.613 -10.890 5.639 559 H HIS 80 H HIS 80 -2.198 -4.961 4.550 560 HA HIS 80 HA HIS 80 -0.253 -6.305 2.891 561 2HB HIS 80 2HB HIS 80 -0.508 -4.187 1.508 562 HD1 HIS 80 1HD HIS 80 -1.095 -7.011 0.807 563 HD2 HIS 80 2HD HIS 80 -4.166 -4.244 1.518 564 HE1 HIS 80 1HE HIS 80 -3.170 -7.932 -0.357 565 H ASP 81 H ASP 81 1.699 -4.925 2.135 566 HA ASP 81 HA ASP 81 2.853 -3.810 4.554 567 2HB ASP 81 2HB ASP 81 5.040 -4.165 3.367 568 HD2 ASP 81 HD ASP 81 5.379 -6.937 2.407 569 H SER 82 H SER 82 4.573 -1.968 4.003 570 HA SER 82 HA SER 82 3.186 0.107 2.798 571 2HB SER 82 2HB SER 82 5.170 0.068 4.548 572 HG SER 82 HG SER 82 6.736 0.911 2.334 573 H ILE 83 H ILE 83 5.474 -2.311 1.574 574 HA ILE 83 HA ILE 83 6.139 -0.886 -0.796 575 HB ILE 83 HB ILE 83 6.363 -3.843 -0.240 576 2HG1 ILE 83 2HG1 ILE 83 7.380 -2.679 1.614 577 1HG2 ILE 83 1HG2 ILE 83 7.863 -3.969 -1.984 578 2HG2 ILE 83 2HG2 ILE 83 6.693 -2.782 -2.606 579 3HG2 ILE 83 3HG2 ILE 83 8.246 -2.232 -1.931 580 1HD1 ILE 83 1HD1 ILE 83 9.853 -3.210 1.130 581 2HD1 ILE 83 2HD1 ILE 83 8.707 -4.554 0.914 582 3HD1 ILE 83 3HD1 ILE 83 9.327 -3.676 -0.504 583 H THR 84 H THR 84 3.692 -3.341 0.158 584 HA THR 84 HA THR 84 2.724 -3.680 -2.503 585 HB THR 84 HB THR 84 2.126 -4.608 0.277 586 HG1 THR 84 1HG THR 84 3.264 -5.857 -1.357 587 1HG2 THR 84 1HG2 THR 84 0.031 -4.703 -1.959 588 2HG2 THR 84 2HG2 THR 84 -0.068 -5.551 -0.396 589 3HG2 THR 84 3HG2 THR 84 -0.140 -3.773 -0.452 590 H LEU 85 H LEU 85 1.983 -1.493 0.214 591 HA LEU 85 HA LEU 85 -0.477 -0.593 -0.741 592 2HB LEU 85 2HB LEU 85 0.496 1.549 0.585 593 HG LEU 85 HG LEU 85 -1.423 0.493 1.473 594 1HD1 LEU 85 1HD1 LEU 85 -0.660 -1.834 2.792 595 2HD1 LEU 85 2HD1 LEU 85 -1.604 -1.716 1.287 596 3HD1 LEU 85 3HD1 LEU 85 0.162 -1.932 1.217 597 1HD2 LEU 85 1HD2 LEU 85 0.005 1.666 3.114 598 2HD2 LEU 85 2HD2 LEU 85 -0.963 0.361 3.844 599 3HD2 LEU 85 3HD2 LEU 85 0.772 0.113 3.527 600 H ALA 86 H ALA 86 2.908 0.375 -1.469 601 HA ALA 86 HA ALA 86 2.230 2.640 -2.983 602 1HB ALA 86 1HB ALA 86 4.451 2.574 -2.300 603 2HB ALA 86 2HB ALA 86 4.623 0.840 -2.665 604 3HB ALA 86 3HB ALA 86 4.601 2.029 -3.988 605 H PHE 87 H PHE 87 2.734 -0.840 -3.810 606 HA PHE 87 HA PHE 87 2.402 -0.419 -6.587 607 2HB PHE 87 2HB PHE 87 1.704 -3.033 -5.243 608 HD1 PHE 87 1HD PHE 87 1.097 -3.583 -7.592 609 HD2 PHE 87 2HD PHE 87 5.048 -2.478 -6.507 610 HE1 PHE 87 1HE PHE 87 1.958 -4.544 -9.745 611 HE2 PHE 87 2HE PHE 87 5.908 -3.438 -8.661 612 HZ PHE 87 HZ PHE 87 4.353 -4.460 -10.254 613 H LEU 88 H LEU 88 0.242 -1.683 -3.957 614 HA LEU 88 HA LEU 88 -1.942 -2.178 -5.612 615 2HB LEU 88 2HB LEU 88 -3.101 -1.671 -3.239 616 HG LEU 88 HG LEU 88 -3.168 -3.890 -4.140 617 1HD1 LEU 88 1HD1 LEU 88 -0.932 -5.291 -3.592 618 2HD1 LEU 88 2HD1 LEU 88 -1.251 -4.510 -5.160 619 3HD1 LEU 88 3HD1 LEU 88 -0.215 -3.704 -3.958 620 1HD2 LEU 88 1HD2 LEU 88 -1.951 -4.961 -1.835 621 2HD2 LEU 88 2HD2 LEU 88 -2.554 -3.349 -1.380 622 3HD2 LEU 88 3HD2 LEU 88 -3.666 -4.549 -2.081 623 H ILE 89 H ILE 89 -1.050 0.738 -3.654 624 HA ILE 89 HA ILE 89 -3.309 2.214 -4.396 625 HB ILE 89 HB ILE 89 -0.574 3.022 -3.416 626 2HG1 ILE 89 2HG1 ILE 89 -2.133 1.593 -1.972 627 1HG2 ILE 89 1HG2 ILE 89 -1.217 5.010 -4.356 628 2HG2 ILE 89 2HG2 ILE 89 -2.954 4.675 -4.162 629 3HG2 ILE 89 3HG2 ILE 89 -1.976 5.148 -2.752 630 1HD1 ILE 89 1HD1 ILE 89 -1.822 3.216 0.023 631 2HD1 ILE 89 2HD1 ILE 89 -0.354 2.725 -0.854 632 3HD1 ILE 89 3HD1 ILE 89 -1.077 4.324 -1.154 633 H ARG 90 H ARG 90 0.068 2.140 -5.719 634 HA ARG 90 HA ARG 90 -0.003 4.026 -7.529 635 2HB ARG 90 2HB ARG 90 1.043 1.910 -9.052 636 2HG ARG 90 2HG ARG 90 2.555 3.213 -6.757 637 2HD ARG 90 2HD ARG 90 4.189 3.403 -8.873 638 HE ARG 90 HE ARG 90 3.845 1.333 -6.864 639 1HH1 ARG 90 2HH2 ARG 90 5.699 2.165 -9.767 640 2HH1 ARG 90 1HH2 ARG 90 7.047 1.164 -9.343 641 2HH2 ARG 90 1HH ARG 90 6.982 -0.093 -7.303 642 H GLU 91 H GLU 91 -1.850 0.970 -7.658 643 HA GLU 91 HA GLU 91 -2.596 1.209 -10.347 644 2HB GLU 91 2HB GLU 91 -4.603 -0.276 -9.037 645 2HG GLU 91 2HG GLU 91 -2.818 -2.199 -9.654 646 HE2 GLU 91 HE GLU 91 -4.321 -3.036 -12.077 647 H LYS 92 H LYS 92 -4.198 2.089 -7.221 648 HA LYS 92 HA LYS 92 -6.343 3.363 -8.709 649 2HB LYS 92 2HB LYS 92 -7.009 1.976 -6.857 650 2HG LYS 92 2HG LYS 92 -6.047 3.567 -4.635 651 2HD LYS 92 2HD LYS 92 -5.003 1.299 -4.027 652 2HE LYS 92 2HE LYS 92 -7.911 1.042 -4.891 653 1HZ LYS 92 1HZ LYS 92 -8.029 -0.260 -2.904 654 2HZ LYS 92 2HZ LYS 92 -6.712 -0.801 -3.696 655 H ALA 93 H ALA 93 -3.227 4.135 -7.982 656 HA ALA 93 HA ALA 93 -3.763 6.931 -8.230 657 1HB ALA 93 1HB ALA 93 -2.660 7.602 -6.138 658 2HB ALA 93 2HB ALA 93 -4.099 6.613 -5.795 659 3HB ALA 93 3HB ALA 93 -2.476 5.894 -5.672 660 H SER 94 H SER 94 -2.612 6.118 -10.221 661 HA SER 94 HA SER 94 0.086 5.306 -9.853 662 2HB SER 94 2HB SER 94 -1.212 4.454 -11.750 663 HG SER 94 HG SER 94 -1.592 7.232 -12.243 664 H HIS 95 H HIS 95 -1.351 8.196 -9.296 665 HA HIS 95 HA HIS 95 0.582 9.825 -10.712 666 2HB HIS 95 2HB HIS 95 -0.732 11.711 -9.691 667 HD1 HIS 95 1HD HIS 95 -3.642 9.549 -10.444 668 HD2 HIS 95 2HD HIS 95 -0.831 11.795 -12.602 669 HE1 HIS 95 1HE HIS 95 -4.589 9.807 -12.799 670 H ARG 96 H ARG 96 -0.657 10.421 -7.399 671 HA ARG 96 HA ARG 96 2.110 10.626 -6.584 672 2HB ARG 96 2HB ARG 96 1.376 12.109 -4.880 673 2HG ARG 96 2HG ARG 96 -0.996 12.685 -6.604 674 2HD ARG 96 2HD ARG 96 0.081 14.291 -4.932 675 HE ARG 96 HE ARG 96 2.462 13.635 -6.309 676 1HH1 ARG 96 2HH2 ARG 96 0.755 16.577 -5.318 677 2HH1 ARG 96 1HH2 ARG 96 2.201 17.522 -5.189 678 2HH2 ARG 96 1HH ARG 96 4.315 16.504 -5.678 679 H ILE 97 H ILE 97 2.954 8.778 -5.665 680 HA ILE 97 HA ILE 97 1.145 7.220 -3.951 681 HB ILE 97 HB ILE 97 3.516 6.035 -5.344 682 2HG1 ILE 97 2HG1 ILE 97 1.150 7.101 -6.655 683 1HG2 ILE 97 1HG2 ILE 97 1.556 4.151 -5.270 684 2HG2 ILE 97 2HG2 ILE 97 2.792 4.379 -4.010 685 3HG2 ILE 97 3HG2 ILE 97 1.176 5.097 -3.811 686 1HD1 ILE 97 1HD1 ILE 97 3.478 7.392 -7.456 687 2HD1 ILE 97 2HD1 ILE 97 3.637 5.630 -7.642 688 3HD1 ILE 97 3HD1 ILE 97 2.496 6.534 -8.667 689 H VAL 98 H VAL 98 2.558 5.816 -2.340 690 HA VAL 98 HA VAL 98 4.313 7.748 -1.040 691 HB VAL 98 HB VAL 98 2.560 6.970 0.336 692 1HG1 VAL 98 1HG1 VAL 98 3.215 4.282 -0.824 693 2HG1 VAL 98 2HG1 VAL 98 2.499 4.371 0.803 694 3HG1 VAL 98 3HG1 VAL 98 1.637 5.071 -0.589 695 1HG2 VAL 98 1HG2 VAL 98 4.679 5.124 1.342 696 2HG2 VAL 98 2HG2 VAL 98 5.113 6.836 1.119 697 3HG2 VAL 98 3HG2 VAL 98 3.763 6.393 2.191 698 H HIS 99 H HIS 99 6.498 7.486 -0.920 699 HA HIS 99 HA HIS 99 7.573 5.186 -2.298 700 2HB HIS 99 2HB HIS 99 9.710 6.734 -1.483 701 HD1 HIS 99 1HD HIS 99 7.597 8.412 -4.083 702 HD2 HIS 99 2HD HIS 99 10.518 5.409 -3.879 703 HE1 HIS 99 1HE HIS 99 8.351 7.986 -6.483 704 H ARG 100 H ARG 100 9.984 4.694 -1.102 705 HA ARG 100 HA ARG 100 9.532 4.383 1.704 706 2HB ARG 100 2HB ARG 100 9.804 1.986 -0.174 707 2HG ARG 100 2HG ARG 100 9.405 1.045 2.435 708 2HD ARG 100 2HD ARG 100 11.610 0.057 2.197 709 HE ARG 100 HE ARG 100 9.791 -0.036 0.052 710 1HH1 ARG 100 2HH2 ARG 100 13.284 -0.449 0.472 711 2HH1 ARG 100 1HH2 ARG 100 13.441 -1.541 -0.862 712 2HH2 ARG 100 1HH ARG 100 11.495 -2.132 -2.130 713 H VAL 101 H VAL 101 11.450 5.440 2.256 714 HA VAL 101 HA VAL 101 13.883 4.532 0.894 715 HB VAL 101 HB VAL 101 13.583 6.847 0.605 716 1HG1 VAL 101 1HG1 VAL 101 11.914 7.529 2.074 717 2HG1 VAL 101 2HG1 VAL 101 12.737 6.845 3.496 718 3HG1 VAL 101 3HG1 VAL 101 13.356 8.334 2.740 719 1HG2 VAL 101 1HG2 VAL 101 15.836 5.915 1.611 720 2HG2 VAL 101 2HG2 VAL 101 15.591 7.664 1.395 721 3HG2 VAL 101 3HG2 VAL 101 15.386 6.930 3.003 722 H VAL 102 H VAL 102 15.758 3.991 2.166 723 HA VAL 102 HA VAL 102 15.113 3.436 4.978 724 HB VAL 102 HB VAL 102 14.992 1.407 3.600 725 1HG1 VAL 102 1HG1 VAL 102 16.564 0.731 2.118 726 2HG1 VAL 102 2HG1 VAL 102 17.009 2.455 2.112 727 3HG1 VAL 102 3HG1 VAL 102 17.915 1.305 3.124 728 1HG2 VAL 102 1HG2 VAL 102 16.182 1.700 6.023 729 2HG2 VAL 102 2HG2 VAL 102 15.912 0.130 5.228 730 3HG2 VAL 102 3HG2 VAL 102 17.499 0.928 5.107 731 H LYS 103 H LYS 103 16.139 5.392 5.640 732 HA LYS 103 HA LYS 103 18.849 5.156 6.173 733 2HB LYS 103 2HB LYS 103 18.557 7.335 4.148 734 2HG LYS 103 2HG LYS 103 20.960 6.158 3.739 735 2HD LYS 103 2HD LYS 103 20.129 8.135 5.895 736 2HE LYS 103 2HE LYS 103 22.374 6.769 6.325 737 1HZ LYS 103 1HZ LYS 103 23.303 8.803 4.376 738 2HZ LYS 103 2HZ LYS 103 24.220 7.698 5.144 739 H SER 104 H SER 104 16.020 7.268 5.553 740 HA SER 104 HA SER 104 16.638 8.540 8.091 741 2HB SER 104 2HB SER 104 15.454 10.175 5.838 742 HG SER 104 HG SER 104 15.885 11.795 7.179 743 H ASP 105 H ASP 105 14.504 10.016 8.654 744 HA ASP 105 HA ASP 105 12.339 8.113 8.410 745 2HB ASP 105 2HB ASP 105 11.997 10.569 10.072 746 HD2 ASP 105 HD ASP 105 10.791 8.408 12.567 747 H PHE 106 H PHE 106 10.321 8.717 7.442 748 HA PHE 106 HA PHE 106 9.891 11.474 6.724 749 2HB PHE 106 2HB PHE 106 9.483 9.702 4.400 750 HD1 PHE 106 1HD PHE 106 8.729 12.417 4.618 751 HD2 PHE 106 2HD PHE 106 12.556 10.848 3.671 752 HE1 PHE 106 1HE PHE 106 9.297 14.538 3.403 753 HE2 PHE 106 2HE PHE 106 13.125 12.969 2.456 754 HZ PHE 106 HZ PHE 106 11.489 14.789 2.336 755 H GLU 107 H GLU 107 7.700 11.950 6.558 756 HA GLU 107 HA GLU 107 5.966 9.650 6.963 757 2HB GLU 107 2HB GLU 107 4.335 11.353 7.859 758 2HG GLU 107 2HG GLU 107 7.055 11.603 9.212 759 HE2 GLU 107 HE GLU 107 5.132 11.336 12.146 760 H ILE 108 H ILE 108 4.004 9.427 5.725 761 HA ILE 108 HA ILE 108 3.689 11.296 3.512 762 HB ILE 108 HB ILE 108 3.517 8.416 2.829 763 2HG1 ILE 108 2HG1 ILE 108 6.111 9.834 3.424 764 1HG2 ILE 108 1HG2 ILE 108 3.956 9.141 0.669 765 2HG2 ILE 108 2HG2 ILE 108 3.009 10.484 1.354 766 3HG2 ILE 108 3HG2 ILE 108 4.779 10.620 1.219 767 1HD1 ILE 108 1HD1 ILE 108 4.675 7.858 4.747 768 2HD1 ILE 108 2HD1 ILE 108 5.812 6.911 3.758 769 3HD1 ILE 108 3HD1 ILE 108 6.427 8.129 4.902 770 H GLY 109 H GLY 109 1.544 11.573 2.876 771 1HA GLY 109 1HA GLY 109 -0.484 9.743 3.854 772 2HA GLY 109 2HA GLY 109 -0.483 11.324 4.612 773 H VAL 110 H VAL 110 -2.714 10.542 3.150 774 HA VAL 110 HA VAL 110 -2.636 12.506 1.019 775 HB VAL 110 HB VAL 110 -2.373 9.759 0.483 776 1HG1 VAL 110 1HG1 VAL 110 -4.349 9.071 -0.623 777 2HG1 VAL 110 2HG1 VAL 110 -4.887 9.717 0.947 778 3HG1 VAL 110 3HG1 VAL 110 -5.067 10.696 -0.528 779 1HG2 VAL 110 1HG2 VAL 110 -1.783 11.987 -0.803 780 2HG2 VAL 110 2HG2 VAL 110 -2.046 10.465 -1.689 781 3HG2 VAL 110 3HG2 VAL 110 -3.342 11.682 -1.608 782 H THR 111 H THR 111 -4.981 12.836 0.167 783 HA THR 111 HA THR 111 -6.818 12.467 2.442 784 HB THR 111 HB THR 111 -7.715 14.688 1.866 785 HG1 THR 111 1HG THR 111 -5.597 14.662 -0.155 786 1HG2 THR 111 1HG2 THR 111 -4.655 14.622 1.870 787 2HG2 THR 111 2HG2 THR 111 -5.601 16.125 1.969 788 3HG2 THR 111 3HG2 THR 111 -5.720 14.913 3.266 789 H ARG 112 H ARG 112 -6.220 12.130 -1.012 790 HA ARG 112 HA ARG 112 -8.665 10.634 -1.143 791 2HB ARG 112 2HB ARG 112 -9.820 12.057 -2.504 792 2HG ARG 112 2HG ARG 112 -7.464 13.838 -1.770 793 2HD ARG 112 2HD ARG 112 -8.861 14.351 -4.038 794 HE ARG 112 HE ARG 112 -11.045 14.922 -3.467 795 1HH1 ARG 112 2HH2 ARG 112 -8.922 15.917 -0.810 796 2HH1 ARG 112 1HH2 ARG 112 -10.201 16.644 0.104 797 2HH2 ARG 112 1HH ARG 112 -12.433 16.610 -0.768 798 H ASP 113 H ASP 113 -5.817 11.983 -2.947 799 HA ASP 113 HA ASP 113 -4.483 9.775 -3.415 800 2HB ASP 113 2HB ASP 113 -6.957 9.739 -5.030 801 HD2 ASP 113 HD ASP 113 -3.712 9.805 -7.228 802 H GLY 114 H GLY 114 -5.884 12.780 -4.588 803 1HA GLY 114 1HA GLY 114 -4.035 13.257 -6.725 804 2HA GLY 114 2HA GLY 114 -5.163 14.391 -6.008 805 H GLU 115 H GLU 115 -4.581 15.193 -3.706 806 HA GLU 115 HA GLU 115 -1.887 16.089 -3.845 807 2HB GLU 115 2HB GLU 115 -4.142 16.590 -1.859 808 2HG GLU 115 2HG GLU 115 -1.913 16.845 -0.749 809 HE2 GLU 115 HE GLU 115 0.730 18.514 -1.842 810 H ILE 116 H ILE 116 -0.315 15.898 -2.032 811 HA ILE 116 HA ILE 116 -0.819 13.603 -0.298 812 HB ILE 116 HB ILE 116 1.575 12.893 -0.794 813 2HG1 ILE 116 2HG1 ILE 116 1.194 14.996 -2.851 814 1HG2 ILE 116 1HG2 ILE 116 -0.814 12.497 -2.556 815 2HG2 ILE 116 2HG2 ILE 116 0.745 11.775 -3.023 816 3HG2 ILE 116 3HG2 ILE 116 0.005 11.357 -1.460 817 1HD1 ILE 116 1HD1 ILE 116 3.782 14.757 -2.712 818 2HD1 ILE 116 2HD1 ILE 116 2.935 15.385 -1.278 819 3HD1 ILE 116 3HD1 ILE 116 3.471 13.689 -1.322 820 H ILE 117 H ILE 117 0.805 13.519 1.532 821 HA ILE 117 HA ILE 117 1.916 16.174 2.070 822 HB ILE 117 HB ILE 117 1.123 15.934 4.420 823 2HG1 ILE 117 2HG1 ILE 117 -0.068 13.463 3.283 824 1HG2 ILE 117 1HG2 ILE 117 -0.321 17.450 3.690 825 2HG2 ILE 117 2HG2 ILE 117 -0.342 16.720 2.066 826 3HG2 ILE 117 3HG2 ILE 117 -1.459 16.133 3.321 827 1HD1 ILE 117 1HD1 ILE 117 0.861 14.455 6.011 828 2HD1 ILE 117 2HD1 ILE 117 0.090 12.870 5.765 829 3HD1 ILE 117 3HD1 ILE 117 1.641 13.237 4.974 830 H VAL 118 H VAL 118 3.892 16.167 3.157 831 HA VAL 118 HA VAL 118 4.875 13.554 4.020 832 HB VAL 118 HB VAL 118 7.104 14.505 2.912 833 1HG1 VAL 118 1HG1 VAL 118 4.910 12.931 1.531 834 2HG1 VAL 118 2HG1 VAL 118 6.570 13.079 0.908 835 3HG1 VAL 118 3HG1 VAL 118 6.275 12.296 2.480 836 1HG2 VAL 118 1HG2 VAL 118 4.893 15.581 1.130 837 2HG2 VAL 118 2HG2 VAL 118 6.095 16.542 2.025 838 3HG2 VAL 118 3HG2 VAL 118 6.617 15.481 0.694 839 H ASP 119 H ASP 119 6.649 13.707 5.578 840 HA ASP 119 HA ASP 119 7.545 16.198 6.455 841 2HB ASP 119 2HB ASP 119 5.769 14.852 8.508 842 HD2 ASP 119 HD ASP 119 5.458 18.554 8.997 843 H LEU 120 H LEU 120 9.543 15.691 7.385 844 HA LEU 120 HA LEU 120 10.050 12.925 8.033 845 2HB LEU 120 2HB LEU 120 12.382 13.704 8.265 846 HG LEU 120 HG LEU 120 11.067 13.383 5.894 847 1HD1 LEU 120 1HD1 LEU 120 12.106 15.331 4.497 848 2HD1 LEU 120 2HD1 LEU 120 10.539 15.552 5.313 849 3HD1 LEU 120 3HD1 LEU 120 12.021 16.225 6.034 850 1HD2 LEU 120 1HD2 LEU 120 13.754 13.364 6.861 851 2HD2 LEU 120 2HD2 LEU 120 13.050 12.485 5.483 852 3HD2 LEU 120 3HD2 LEU 120 13.738 14.109 5.244 853 H ASN 121 H ASN 121 8.137 13.719 9.769 854 HA ASN 121 HA ASN 121 7.645 13.803 11.878 855 2HB ASN 121 2HB ASN 121 10.579 13.031 12.120 856 1HD2 ASN 121 1HD2 ASN 121 8.481 11.760 14.395 857 2HD2 ASN 121 2HD2 ASN 121 8.920 12.696 15.784 858 H SER 122 H SER 122 7.455 15.464 13.510 859 HA SER 122 HA SER 122 7.714 17.400 14.457 860 2HB SER 122 2HB SER 122 10.295 18.362 14.031 861 HG SER 122 HG SER 122 9.128 17.871 16.099 Start of MODEL 10 1 H MET 1 H MET 1 10.307 -0.966 -15.460 2 HA MET 1 HA MET 1 12.338 -0.778 -14.417 3 2HB MET 1 2HB MET 1 11.194 -1.798 -11.925 4 2HG MET 1 2HG MET 1 12.594 0.292 -12.228 5 1HE MET 1 1HE MET 1 12.919 2.681 -12.715 6 2HE MET 1 2HE MET 1 11.824 3.751 -13.622 7 3HE MET 1 3HE MET 1 11.425 3.279 -11.953 8 H ARG 2 H ARG 2 10.823 -3.774 -12.998 9 HA ARG 2 HA ARG 2 12.817 -5.454 -13.836 10 2HB ARG 2 2HB ARG 2 13.314 -5.298 -10.923 11 2HG ARG 2 2HG ARG 2 15.046 -5.279 -13.435 12 2HD ARG 2 2HD ARG 2 15.730 -4.753 -10.590 13 HE ARG 2 HE ARG 2 16.548 -7.250 -11.485 14 1HH1 ARG 2 2HH2 ARG 2 18.250 -4.236 -10.722 15 2HH1 ARG 2 1HH2 ARG 2 19.712 -5.037 -10.251 16 2HH2 ARG 2 1HH ARG 2 19.823 -7.429 -10.341 17 H GLU 3 H GLU 3 11.419 -5.023 -10.501 18 HA GLU 3 HA GLU 3 10.079 -7.566 -10.893 19 2HB GLU 3 2HB GLU 3 9.702 -7.165 -8.285 20 2HG GLU 3 2HG GLU 3 11.883 -8.308 -9.882 21 HE2 GLU 3 HE GLU 3 13.478 -7.669 -6.277 22 H ARG 4 H ARG 4 7.822 -7.768 -9.875 23 HA ARG 4 HA ARG 4 6.361 -5.396 -10.647 24 2HB ARG 4 2HB ARG 4 4.446 -7.335 -10.146 25 2HG ARG 4 2HG ARG 4 6.086 -6.986 -12.701 26 2HD ARG 4 2HD ARG 4 3.742 -7.617 -13.692 27 HE ARG 4 HE ARG 4 5.930 -9.299 -12.897 28 1HH1 ARG 4 2HH2 ARG 4 2.553 -9.532 -13.947 29 2HH1 ARG 4 1HH2 ARG 4 2.743 -11.115 -14.622 30 2HH2 ARG 4 1HH ARG 4 4.884 -12.188 -14.517 31 H GLY 5 H GLY 5 6.916 -4.244 -8.605 32 1HA GLY 5 1HA GLY 5 6.664 -3.701 -6.423 33 2HA GLY 5 2HA GLY 5 4.985 -4.096 -6.732 34 H TRP 6 H TRP 6 4.178 -5.371 -5.127 35 HA TRP 6 HA TRP 6 5.439 -6.670 -3.194 36 2HB TRP 6 2HB TRP 6 3.309 -7.046 -2.757 37 HD1 TRP 6 HD TRP 6 2.362 -4.729 -4.086 38 HE1 TRP 6 1HE TRP 6 0.572 -4.424 -6.000 39 HE3 TRP 6 3HE TRP 6 2.525 -9.540 -5.724 40 HZ2 TRP 6 2HZ TRP 6 -0.551 -6.190 -7.942 41 HZ3 TRP 6 3HZ TRP 6 1.050 -10.167 -7.634 42 HH2 TRP 6 HH TRP 6 -0.450 -8.582 -8.734 43 H SER 7 H SER 7 4.209 -8.652 -5.973 44 HA SER 7 HA SER 7 4.998 -10.419 -6.956 45 2HB SER 7 2HB SER 7 7.591 -8.893 -6.539 46 HG SER 7 HG SER 7 8.347 -10.981 -6.830 47 H GLN 8 H GLN 8 7.957 -10.036 -4.923 48 HA GLN 8 HA GLN 8 7.057 -11.940 -3.030 49 2HB GLN 8 2HB GLN 8 9.509 -13.007 -4.289 50 2HG GLN 8 2HG GLN 8 6.868 -14.446 -3.916 51 1HE2 GLN 8 1HE2 GLN 8 7.206 -16.632 -3.339 52 2HE2 GLN 8 2HE2 GLN 8 8.673 -17.464 -3.733 53 H LYS 9 H LYS 9 7.622 -9.757 -1.996 54 HA LYS 9 HA LYS 9 10.446 -9.205 -1.817 55 2HB LYS 9 2HB LYS 9 8.159 -7.881 -0.338 56 2HG LYS 9 2HG LYS 9 10.863 -7.576 0.020 57 2HD LYS 9 2HD LYS 9 10.015 -5.480 -2.036 58 2HE LYS 9 2HE LYS 9 12.509 -5.907 -0.346 59 1HZ LYS 9 1HZ LYS 9 13.741 -4.687 -1.850 60 2HZ LYS 9 2HZ LYS 9 12.825 -5.513 -2.912 61 H LYS 10 H LYS 10 8.026 -9.375 0.860 62 HA LYS 10 HA LYS 10 9.652 -11.449 2.104 63 2HB LYS 10 2HB LYS 10 8.843 -9.095 3.779 64 2HG LYS 10 2HG LYS 10 11.471 -10.311 4.185 65 2HD LYS 10 2HD LYS 10 8.932 -10.284 5.885 66 2HE LYS 10 2HE LYS 10 10.837 -11.922 6.510 67 1HZ LYS 10 1HZ LYS 10 12.399 -9.709 6.098 68 2HZ LYS 10 2HZ LYS 10 12.328 -9.801 7.722 69 H ILE 11 H ILE 11 6.986 -9.268 3.229 70 HA ILE 11 HA ILE 11 5.515 -11.562 4.104 71 HB ILE 11 HB ILE 11 4.659 -8.671 4.039 72 2HG1 ILE 11 2HG1 ILE 11 6.864 -8.904 5.132 73 1HG2 ILE 11 1HG2 ILE 11 3.763 -11.049 5.687 74 2HG2 ILE 11 2HG2 ILE 11 3.269 -9.365 5.976 75 3HG2 ILE 11 3HG2 ILE 11 2.825 -10.172 4.454 76 1HD1 ILE 11 1HD1 ILE 11 5.369 -8.534 7.580 77 2HD1 ILE 11 2HD1 ILE 11 6.149 -7.302 6.559 78 3HD1 ILE 11 3HD1 ILE 11 4.469 -7.794 6.234 79 H ALA 12 H ALA 12 6.104 -10.402 1.085 80 HA ALA 12 HA ALA 12 3.792 -9.904 -0.197 81 1HB ALA 12 1HB ALA 12 4.911 -11.364 -2.075 82 2HB ALA 12 2HB ALA 12 5.729 -9.891 -1.503 83 3HB ALA 12 3HB ALA 12 6.258 -11.487 -0.918 84 H ARG 13 H ARG 13 4.889 -13.019 1.176 85 HA ARG 13 HA ARG 13 3.069 -14.630 -0.103 86 2HB ARG 13 2HB ARG 13 3.347 -15.998 2.181 87 2HG ARG 13 2HG ARG 13 6.022 -16.002 1.311 88 2HD ARG 13 2HD ARG 13 3.766 -17.717 1.266 89 HE ARG 13 HE ARG 13 3.919 -16.881 -1.319 90 1HH1 ARG 13 2HH2 ARG 13 4.955 -19.918 0.182 91 2HH1 ARG 13 1HH2 ARG 13 4.713 -20.855 -1.255 92 2HH2 ARG 13 1HH ARG 13 3.916 -19.775 -3.240 93 H GLU 14 H GLU 14 2.894 -13.105 3.203 94 HA GLU 14 HA GLU 14 0.371 -13.985 3.805 95 2HB GLU 14 2HB GLU 14 0.946 -11.283 4.832 96 2HG GLU 14 2HG GLU 14 0.229 -14.002 5.802 97 HE2 GLU 14 HE GLU 14 0.579 -13.066 8.893 98 H LEU 15 H LEU 15 1.462 -11.340 1.709 99 HA LEU 15 HA LEU 15 -1.040 -9.999 1.639 100 2HB LEU 15 2HB LEU 15 0.112 -9.077 -0.535 101 HG LEU 15 HG LEU 15 -0.102 -7.811 1.627 102 1HD1 LEU 15 1HD1 LEU 15 2.721 -8.697 2.222 103 2HD1 LEU 15 2HD1 LEU 15 1.581 -7.805 3.259 104 3HD1 LEU 15 3HD1 LEU 15 1.302 -9.527 2.905 105 1HD2 LEU 15 1HD2 LEU 15 2.441 -6.774 0.963 106 2HD2 LEU 15 2HD2 LEU 15 1.754 -7.444 -0.536 107 3HD2 LEU 15 3HD2 LEU 15 0.844 -6.229 0.394 108 H LYS 16 H LYS 16 0.650 -12.377 -0.504 109 HA LYS 16 HA LYS 16 -1.267 -12.468 -2.487 110 2HB LYS 16 2HB LYS 16 0.883 -14.290 -1.498 111 2HG LYS 16 2HG LYS 16 -1.001 -15.838 -2.026 112 2HD LYS 16 2HD LYS 16 -1.900 -14.003 -3.789 113 2HE LYS 16 2HE LYS 16 -1.317 -15.633 -6.010 114 1HZ LYS 16 1HZ LYS 16 -0.556 -13.637 -6.867 115 2HZ LYS 16 2HZ LYS 16 -1.415 -13.058 -5.609 116 H THR 17 H THR 17 -1.190 -13.933 0.763 117 HA THR 17 HA THR 17 -3.430 -15.645 0.253 118 HB THR 17 HB THR 17 -1.900 -14.742 2.744 119 HG1 THR 17 1HG THR 17 -0.691 -16.405 1.932 120 1HG2 THR 17 1HG2 THR 17 -3.602 -15.649 3.981 121 2HG2 THR 17 2HG2 THR 17 -4.463 -16.174 2.513 122 3HG2 THR 17 3HG2 THR 17 -3.198 -17.207 3.221 123 H THR 18 H THR 18 -2.949 -12.294 1.266 124 HA THR 18 HA THR 18 -5.641 -12.060 2.275 125 HB THR 18 HB THR 18 -3.241 -10.756 2.721 126 HG1 THR 18 1HG THR 18 -4.935 -9.110 3.604 127 1HG2 THR 18 1HG2 THR 18 -3.554 -8.433 1.946 128 2HG2 THR 18 2HG2 THR 18 -3.463 -9.504 0.527 129 3HG2 THR 18 3HG2 THR 18 -5.041 -8.895 1.084 130 H ARG 19 H ARG 19 -7.443 -11.341 1.258 131 HA ARG 19 HA ARG 19 -7.489 -9.745 -0.929 132 2HB ARG 19 2HB ARG 19 -6.415 -11.434 -2.294 133 2HG ARG 19 2HG ARG 19 -8.430 -13.563 -2.028 134 2HD ARG 19 2HD ARG 19 -5.472 -13.792 -1.398 135 HE ARG 19 HE ARG 19 -7.571 -15.636 -2.045 136 1HH1 ARG 19 2HH2 ARG 19 -4.169 -15.013 -2.815 137 2HH1 ARG 19 1HH2 ARG 19 -3.817 -16.671 -3.170 138 2HH2 ARG 19 1HH ARG 19 -5.560 -18.307 -2.987 139 H GLN 20 H GLN 20 -9.068 -9.541 1.123 140 HA GLN 20 HA GLN 20 -11.285 -11.254 1.161 141 2HB GLN 20 2HB GLN 20 -12.069 -8.810 2.334 142 2HG GLN 20 2HG GLN 20 -11.304 -10.002 4.477 143 1HE2 GLN 20 1HE2 GLN 20 -13.581 -9.432 4.237 144 2HE2 GLN 20 2HE2 GLN 20 -14.741 -10.667 3.876 145 H ASN 21 H ASN 21 -11.348 -10.982 -1.410 146 HA ASN 21 HA ASN 21 -12.307 -10.189 -3.202 147 2HB ASN 21 2HB ASN 21 -14.719 -9.223 -1.676 148 1HD2 ASN 21 1HD2 ASN 21 -16.617 -9.811 -2.709 149 2HD2 ASN 21 2HD2 ASN 21 -16.667 -10.393 -4.338 150 H VAL 22 H VAL 22 -10.734 -8.216 -1.549 151 HA VAL 22 HA VAL 22 -11.510 -5.862 -2.927 152 HB VAL 22 HB VAL 22 -12.337 -6.256 -0.107 153 1HG1 VAL 22 1HG1 VAL 22 -12.128 -3.835 0.398 154 2HG1 VAL 22 2HG1 VAL 22 -10.550 -4.638 0.218 155 3HG1 VAL 22 3HG1 VAL 22 -11.188 -3.625 -1.099 156 1HG2 VAL 22 1HG2 VAL 22 -14.236 -5.912 -1.270 157 2HG2 VAL 22 2HG2 VAL 22 -13.799 -4.190 -1.155 158 3HG2 VAL 22 3HG2 VAL 22 -13.388 -5.117 -2.617 159 H SER 23 H SER 23 -9.624 -4.875 -3.441 160 HA SER 23 HA SER 23 -7.620 -4.010 -3.149 161 2HB SER 23 2HB SER 23 -6.866 -5.462 -0.653 162 HG SER 23 HG SER 23 -6.829 -2.719 -1.571 163 H ALA 24 H ALA 24 -8.590 -7.121 -3.580 164 HA ALA 24 HA ALA 24 -6.075 -8.477 -3.462 165 1HB ALA 24 1HB ALA 24 -7.312 -10.356 -4.227 166 2HB ALA 24 2HB ALA 24 -8.443 -9.451 -3.194 167 3HB ALA 24 3HB ALA 24 -8.567 -9.333 -4.965 168 H ILE 25 H ILE 25 -5.235 -6.377 -4.754 169 HA ILE 25 HA ILE 25 -5.766 -6.303 -7.516 170 HB ILE 25 HB ILE 25 -3.429 -5.262 -5.909 171 2HG1 ILE 25 2HG1 ILE 25 -5.334 -4.226 -5.029 172 1HG2 ILE 25 1HG2 ILE 25 -2.522 -4.428 -7.761 173 2HG2 ILE 25 2HG2 ILE 25 -3.605 -5.508 -8.671 174 3HG2 ILE 25 3HG2 ILE 25 -4.089 -3.825 -8.352 175 1HD1 ILE 25 1HD1 ILE 25 -3.563 -2.733 -6.626 176 2HD1 ILE 25 2HD1 ILE 25 -5.179 -2.153 -7.094 177 3HD1 ILE 25 3HD1 ILE 25 -4.669 -2.088 -5.390 178 H GLU 26 H GLU 26 -3.697 -8.292 -5.467 179 HA GLU 26 HA GLU 26 -1.953 -9.066 -7.534 180 2HB GLU 26 2HB GLU 26 -1.196 -10.789 -5.935 181 2HG GLU 26 2HG GLU 26 -1.897 -8.190 -4.489 182 HE2 GLU 26 HE GLU 26 1.536 -9.451 -3.965 183 H ARG 27 H ARG 27 -4.882 -10.550 -6.002 184 HA ARG 27 HA ARG 27 -4.789 -12.837 -7.586 185 2HB ARG 27 2HB ARG 27 -7.491 -12.460 -6.883 186 2HG ARG 27 2HG ARG 27 -6.899 -13.895 -4.893 187 2HD ARG 27 2HD ARG 27 -5.286 -15.427 -6.636 188 HE ARG 27 HE ARG 27 -8.020 -15.456 -5.717 189 1HH1 ARG 27 2HH2 ARG 27 -5.943 -16.811 -8.247 190 2HH1 ARG 27 1HH2 ARG 27 -6.919 -18.225 -8.465 191 2HH2 ARG 27 1HH ARG 27 -8.894 -18.504 -7.136 192 H LYS 28 H LYS 28 -6.757 -9.785 -7.770 193 HA LYS 28 HA LYS 28 -8.242 -10.415 -9.994 194 2HB LYS 28 2HB LYS 28 -7.386 -7.610 -9.865 195 2HG LYS 28 2HG LYS 28 -9.670 -9.089 -10.548 196 2HD LYS 28 2HD LYS 28 -10.131 -7.540 -7.954 197 2HE LYS 28 2HE LYS 28 -11.901 -8.187 -10.210 198 1HZ LYS 28 1HZ LYS 28 -13.504 -9.393 -9.118 199 2HZ LYS 28 2HZ LYS 28 -12.215 -10.036 -8.361 200 H ALA 29 H ALA 29 -5.000 -8.797 -9.820 201 HA ALA 29 HA ALA 29 -4.674 -8.488 -12.556 202 1HB ALA 29 1HB ALA 29 -3.227 -7.315 -11.086 203 2HB ALA 29 2HB ALA 29 -2.764 -8.800 -10.221 204 3HB ALA 29 3HB ALA 29 -2.185 -8.518 -11.880 205 H MET 30 H MET 30 -3.627 -11.184 -10.360 206 HA MET 30 HA MET 30 -2.486 -12.691 -12.382 207 2HB MET 30 2HB MET 30 -3.427 -14.521 -10.460 208 2HG MET 30 2HG MET 30 -1.153 -13.654 -9.255 209 1HE MET 30 1HE MET 30 0.471 -16.523 -9.593 210 2HE MET 30 2HE MET 30 1.423 -15.529 -10.723 211 3HE MET 30 3HE MET 30 0.654 -14.776 -9.304 212 H GLU 31 H GLU 31 -5.790 -11.943 -11.761 213 HA GLU 31 HA GLU 31 -6.808 -14.412 -12.766 214 2HB GLU 31 2HB GLU 31 -8.805 -12.356 -12.829 215 2HG GLU 31 2HG GLU 31 -8.633 -14.928 -11.958 216 HE2 GLU 31 HE GLU 31 -8.651 -13.000 -8.478 217 H ASN 32 H ASN 32 -4.974 -13.493 -14.615 218 HA ASN 32 HA ASN 32 -4.662 -12.839 -16.669 219 2HB ASN 32 2HB ASN 32 -6.757 -13.412 -18.237 220 1HD2 ASN 32 1HD2 ASN 32 -7.331 -16.167 -17.740 221 2HD2 ASN 32 2HD2 ASN 32 -5.864 -17.073 -17.900 222 H ILE 33 H ILE 33 -5.696 -10.759 -14.868 223 HA ILE 33 HA ILE 33 -7.818 -9.321 -15.938 224 HB ILE 33 HB ILE 33 -6.094 -9.135 -13.783 225 2HG1 ILE 33 2HG1 ILE 33 -8.622 -8.556 -14.210 226 1HG2 ILE 33 1HG2 ILE 33 -4.504 -7.809 -15.059 227 2HG2 ILE 33 2HG2 ILE 33 -5.788 -6.658 -15.502 228 3HG2 ILE 33 3HG2 ILE 33 -5.282 -6.817 -13.803 229 1HD1 ILE 33 1HD1 ILE 33 -8.228 -8.517 -11.955 230 2HD1 ILE 33 2HD1 ILE 33 -6.668 -7.683 -12.147 231 3HD1 ILE 33 3HD1 ILE 33 -8.184 -6.751 -12.176 232 H GLU 34 H GLU 34 -7.560 -7.032 -16.925 233 HA GLU 34 HA GLU 34 -5.454 -7.174 -18.939 234 2HB GLU 34 2HB GLU 34 -8.048 -5.822 -19.615 235 2HG GLU 34 2HG GLU 34 -5.719 -7.050 -20.973 236 HE2 GLU 34 HE GLU 34 -6.694 -9.260 -22.813 237 H LYS 35 H LYS 35 -7.959 -4.901 -17.581 238 HA LYS 35 HA LYS 35 -6.205 -3.153 -16.415 239 2HB LYS 35 2HB LYS 35 -5.107 -2.576 -18.389 240 2HG LYS 35 2HG LYS 35 -7.851 -2.472 -19.729 241 2HD LYS 35 2HD LYS 35 -5.521 -1.015 -20.381 242 2HE LYS 35 2HE LYS 35 -5.180 -3.653 -21.376 243 1HZ LYS 35 1HZ LYS 35 -6.776 -3.135 -23.130 244 2HZ LYS 35 2HZ LYS 35 -5.991 -1.763 -23.521 245 H SER 36 H SER 36 -8.630 -4.260 -15.740 246 HA SER 36 HA SER 36 -10.381 -1.936 -15.964 247 2HB SER 36 2HB SER 36 -11.415 -4.748 -15.501 248 HG SER 36 HG SER 36 -13.341 -3.869 -16.055 249 H ARG 37 H ARG 37 -10.212 -5.003 -14.003 250 HA ARG 37 HA ARG 37 -10.191 -5.372 -11.876 251 2HB ARG 37 2HB ARG 37 -9.271 -3.380 -10.356 252 2HG ARG 37 2HG ARG 37 -7.702 -4.847 -12.518 253 2HD ARG 37 2HD ARG 37 -5.685 -4.293 -11.067 254 HE ARG 37 HE ARG 37 -6.669 -1.701 -12.071 255 1HH1 ARG 37 2HH2 ARG 37 -5.199 -4.814 -12.912 256 2HH1 ARG 37 1HH2 ARG 37 -4.554 -4.243 -14.415 257 2HH2 ARG 37 1HH ARG 37 -4.931 -1.968 -15.066 258 H ASN 38 H ASN 38 -10.792 -1.809 -11.560 259 HA ASN 38 HA ASN 38 -12.657 -0.703 -11.157 260 2HB ASN 38 2HB ASN 38 -14.253 -3.229 -10.585 261 1HD2 ASN 38 1HD2 ASN 38 -15.193 -1.487 -13.264 262 2HD2 ASN 38 2HD2 ASN 38 -16.377 -0.435 -12.560 263 H THR 39 H THR 39 -11.003 -2.976 -9.297 264 HA THR 39 HA THR 39 -12.509 -2.766 -6.859 265 HB THR 39 HB THR 39 -9.710 -3.821 -7.528 266 HG1 THR 39 1HG THR 39 -12.371 -4.980 -7.075 267 1HG2 THR 39 1HG2 THR 39 -11.441 -3.893 -5.033 268 2HG2 THR 39 2HG2 THR 39 -10.405 -5.286 -5.426 269 3HG2 THR 39 3HG2 THR 39 -9.678 -3.682 -5.159 270 H LEU 40 H LEU 40 -9.007 -2.062 -7.081 271 HA LEU 40 HA LEU 40 -8.962 -0.224 -5.097 272 2HB LEU 40 2HB LEU 40 -7.007 -1.240 -6.147 273 HG LEU 40 HG LEU 40 -5.939 -0.300 -8.095 274 1HD1 LEU 40 1HD1 LEU 40 -8.759 -1.068 -8.881 275 2HD1 LEU 40 2HD1 LEU 40 -7.263 -1.278 -9.823 276 3HD1 LEU 40 3HD1 LEU 40 -7.522 -2.228 -8.341 277 1HD2 LEU 40 1HD2 LEU 40 -8.229 1.182 -9.163 278 2HD2 LEU 40 2HD2 LEU 40 -7.533 1.906 -7.694 279 3HD2 LEU 40 3HD2 LEU 40 -6.501 1.607 -9.111 280 H ASP 41 H ASP 41 -10.189 0.154 -8.388 281 HA ASP 41 HA ASP 41 -10.069 2.934 -8.462 282 2HB ASP 41 2HB ASP 41 -12.165 1.169 -9.801 283 HD2 ASP 41 HD ASP 41 -12.875 4.475 -10.745 284 H PHE 42 H PHE 42 -12.801 0.601 -7.811 285 HA PHE 42 HA PHE 42 -14.746 2.429 -7.203 286 2HB PHE 42 2HB PHE 42 -13.998 -0.396 -6.323 287 HD1 PHE 42 1HD PHE 42 -17.363 1.114 -6.462 288 HD2 PHE 42 2HD PHE 42 -14.362 -0.572 -3.980 289 HE1 PHE 42 1HE PHE 42 -19.000 0.995 -4.561 290 HE2 PHE 42 2HE PHE 42 -15.997 -0.690 -2.080 291 HZ PHE 42 HZ PHE 42 -18.297 0.095 -2.394 292 H VAL 43 H VAL 43 -11.992 1.310 -5.238 293 HA VAL 43 HA VAL 43 -13.074 2.475 -2.834 294 HB VAL 43 HB VAL 43 -11.094 0.562 -3.554 295 1HG1 VAL 43 1HG1 VAL 43 -9.258 1.255 -2.019 296 2HG1 VAL 43 2HG1 VAL 43 -9.412 2.304 -3.449 297 3HG1 VAL 43 3HG1 VAL 43 -10.027 2.855 -1.872 298 1HG2 VAL 43 1HG2 VAL 43 -12.228 1.549 -0.922 299 2HG2 VAL 43 2HG2 VAL 43 -12.712 0.116 -1.861 300 3HG2 VAL 43 3HG2 VAL 43 -11.126 0.158 -1.053 301 H LYS 44 H LYS 44 -11.035 3.375 -5.567 302 HA LYS 44 HA LYS 44 -9.654 5.475 -4.308 303 2HB LYS 44 2HB LYS 44 -9.497 4.196 -6.713 304 2HG LYS 44 2HG LYS 44 -11.442 5.669 -7.521 305 2HD LYS 44 2HD LYS 44 -9.598 7.721 -6.520 306 2HE LYS 44 2HE LYS 44 -10.163 7.589 -9.457 307 1HZ LYS 44 1HZ LYS 44 -10.099 10.155 -9.321 308 2HZ LYS 44 2HZ LYS 44 -11.534 9.428 -9.069 309 H SER 45 H SER 45 -12.777 5.277 -6.105 310 HA SER 45 HA SER 45 -13.346 7.887 -6.343 311 2HB SER 45 2HB SER 45 -15.272 5.671 -5.508 312 HG SER 45 HG SER 45 -16.248 7.553 -7.266 313 H LEU 46 H LEU 46 -13.790 5.796 -3.424 314 HA LEU 46 HA LEU 46 -15.175 7.361 -1.762 315 2HB LEU 46 2HB LEU 46 -12.951 6.407 -0.272 316 HG LEU 46 HG LEU 46 -15.487 4.846 -0.772 317 1HD1 LEU 46 1HD1 LEU 46 -13.654 3.773 0.510 318 2HD1 LEU 46 2HD1 LEU 46 -13.753 5.092 1.700 319 3HD1 LEU 46 3HD1 LEU 46 -15.141 4.005 1.460 320 1HD2 LEU 46 1HD2 LEU 46 -16.700 6.563 -0.046 321 2HD2 LEU 46 2HD2 LEU 46 -15.902 6.359 1.533 322 3HD2 LEU 46 3HD2 LEU 46 -15.248 7.514 0.348 323 H LYS 47 H LYS 47 -11.591 7.647 -2.291 324 HA LYS 47 HA LYS 47 -10.205 9.341 -2.010 325 2HB LYS 47 2HB LYS 47 -11.414 11.715 -2.193 326 2HG LYS 47 2HG LYS 47 -11.183 9.679 -4.461 327 2HD LYS 47 2HD LYS 47 -11.459 12.709 -4.411 328 2HE LYS 47 2HE LYS 47 -10.509 10.968 -6.736 329 1HZ LYS 47 1HZ LYS 47 -11.896 13.207 -6.957 330 2HZ LYS 47 2HZ LYS 47 -10.432 13.887 -6.749 331 H SER 48 H SER 48 -10.650 8.092 0.290 332 HA SER 48 HA SER 48 -11.574 10.026 2.214 333 2HB SER 48 2HB SER 48 -10.690 7.895 3.702 334 HG SER 48 HG SER 48 -13.160 8.501 2.408 335 HA PRO 49 HA PRO 49 -7.546 11.249 3.316 336 2HB PRO 49 2HB PRO 49 -8.329 13.074 4.481 337 2HG PRO 49 2HG PRO 49 -10.511 12.889 5.204 338 2HD PRO 49 2HD PRO 49 -11.316 11.361 3.687 339 H VAL 50 H VAL 50 -5.569 10.651 4.221 340 HA VAL 50 HA VAL 50 -5.685 8.654 6.291 341 HB VAL 50 HB VAL 50 -4.596 7.987 3.549 342 1HG1 VAL 50 1HG1 VAL 50 -4.437 5.656 4.700 343 2HG1 VAL 50 2HG1 VAL 50 -3.177 6.872 5.023 344 3HG1 VAL 50 3HG1 VAL 50 -4.467 6.589 6.216 345 1HG2 VAL 50 1HG2 VAL 50 -6.362 6.206 3.584 346 2HG2 VAL 50 2HG2 VAL 50 -7.043 6.980 5.036 347 3HG2 VAL 50 3HG2 VAL 50 -6.998 7.866 3.492 348 H ARG 51 H ARG 51 -3.439 8.112 7.062 349 HA ARG 51 HA ARG 51 -1.351 9.745 6.071 350 2HB ARG 51 2HB ARG 51 -2.517 10.317 8.843 351 2HG ARG 51 2HG ARG 51 0.081 11.161 7.506 352 2HD ARG 51 2HD ARG 51 -1.711 12.742 9.273 353 HE ARG 51 HE ARG 51 0.453 11.801 10.640 354 1HH1 ARG 51 2HH2 ARG 51 -0.181 14.982 9.214 355 2HH1 ARG 51 1HH2 ARG 51 0.791 15.831 10.370 356 2HH2 ARG 51 1HH ARG 51 1.908 14.599 12.096 357 H ILE 52 H ILE 52 0.643 8.780 6.578 358 HA ILE 52 HA ILE 52 0.850 7.086 8.892 359 HB ILE 52 HB ILE 52 1.764 5.268 7.154 360 2HG1 ILE 52 2HG1 ILE 52 0.924 6.794 5.258 361 1HG2 ILE 52 1HG2 ILE 52 -1.158 5.433 7.919 362 2HG2 ILE 52 2HG2 ILE 52 -0.173 3.975 7.652 363 3HG2 ILE 52 3HG2 ILE 52 0.144 5.018 9.060 364 1HD1 ILE 52 1HD1 ILE 52 -0.184 4.669 4.128 365 2HD1 ILE 52 2HD1 ILE 52 1.547 4.651 4.543 366 3HD1 ILE 52 3HD1 ILE 52 0.368 3.845 5.606 367 H LEU 53 H LEU 53 3.055 6.656 9.450 368 HA LEU 53 HA LEU 53 4.885 8.439 8.028 369 2HB LEU 53 2HB LEU 53 4.883 7.291 10.817 370 HG LEU 53 HG LEU 53 7.216 7.871 9.481 371 1HD1 LEU 53 1HD1 LEU 53 6.531 10.358 11.065 372 2HD1 LEU 53 2HD1 LEU 53 8.019 10.023 10.146 373 3HD1 LEU 53 3HD1 LEU 53 6.476 10.251 9.288 374 1HD2 LEU 53 1HD2 LEU 53 7.668 6.806 11.404 375 2HD2 LEU 53 2HD2 LEU 53 7.893 8.448 12.056 376 3HD2 LEU 53 3HD2 LEU 53 6.342 7.606 12.283 377 H CYS 54 H CYS 54 6.985 7.711 7.381 378 HA CYS 54 HA CYS 54 7.041 4.810 7.009 379 2HB CYS 54 2HB CYS 54 8.051 7.102 5.340 380 HG CYS 54 HG CYS 54 8.741 4.224 4.217 381 H ARG 55 H ARG 55 8.707 3.657 7.977 382 HA ARG 55 HA ARG 55 10.740 5.296 9.263 383 2HB ARG 55 2HB ARG 55 10.942 3.457 10.937 384 2HG ARG 55 2HG ARG 55 8.091 3.533 11.198 385 2HD ARG 55 2HD ARG 55 8.967 5.656 12.690 386 HE ARG 55 HE ARG 55 8.388 2.987 13.240 387 1HH1 ARG 55 2HH2 ARG 55 10.749 5.323 14.474 388 2HH1 ARG 55 1HH2 ARG 55 10.826 4.601 16.047 389 2HH2 ARG 55 1HH ARG 55 9.490 2.670 16.518 390 H ARG 56 H ARG 56 12.643 3.360 9.912 391 HA ARG 56 HA ARG 56 14.051 3.106 7.620 392 2HB ARG 56 2HB ARG 56 15.158 2.847 9.756 393 2HG ARG 56 2HG ARG 56 13.412 0.368 10.136 394 2HD ARG 56 2HD ARG 56 15.962 1.214 11.339 395 HE ARG 56 HE ARG 56 13.631 1.473 13.029 396 1HH1 ARG 56 2HH2 ARG 56 16.941 0.207 13.032 397 2HH1 ARG 56 1HH2 ARG 56 17.131 0.363 14.747 398 2HH2 ARG 56 1HH ARG 56 15.319 1.231 16.055 399 H GLY 57 H GLY 57 14.053 1.681 5.881 400 1HA GLY 57 1HA GLY 57 11.939 -0.014 5.361 401 2HA GLY 57 2HA GLY 57 13.506 -0.065 4.577 402 H ASP 58 H ASP 58 14.881 -0.559 7.278 403 HA ASP 58 HA ASP 58 14.989 -3.304 7.068 404 2HB ASP 58 2HB ASP 58 15.617 -2.174 9.748 405 HD2 ASP 58 HD ASP 58 15.966 -4.545 9.595 406 H THR 59 H THR 59 12.926 -1.076 8.929 407 HA THR 59 HA THR 59 11.754 -3.352 10.379 408 HB THR 59 HB THR 59 12.761 -1.015 11.379 409 HG1 THR 59 1HG THR 59 11.288 -1.612 13.159 410 1HG2 THR 59 1HG2 THR 59 9.782 -0.504 11.450 411 2HG2 THR 59 2HG2 THR 59 11.124 0.639 11.697 412 3HG2 THR 59 3HG2 THR 59 10.700 0.107 10.053 413 H LEU 60 H LEU 60 11.385 -2.006 7.474 414 HA LEU 60 HA LEU 60 8.854 -0.998 7.298 415 2HB LEU 60 2HB LEU 60 9.894 -2.907 5.239 416 HG LEU 60 HG LEU 60 7.851 -1.602 4.718 417 1HD1 LEU 60 1HD1 LEU 60 7.776 0.431 5.677 418 2HD1 LEU 60 2HD1 LEU 60 9.545 0.626 5.663 419 3HD1 LEU 60 3HD1 LEU 60 8.602 0.949 4.188 420 1HD2 LEU 60 1HD2 LEU 60 9.125 -0.334 2.678 421 2HD2 LEU 60 2HD2 LEU 60 10.369 -1.503 3.184 422 3HD2 LEU 60 3HD2 LEU 60 8.749 -2.073 2.714 423 H ASP 61 H ASP 61 9.917 -4.425 7.555 424 HA ASP 61 HA ASP 61 7.546 -5.623 6.988 425 2HB ASP 61 2HB ASP 61 9.688 -6.815 7.401 426 HD2 ASP 61 HD ASP 61 9.589 -6.614 11.379 427 H GLU 62 H GLU 62 8.853 -4.427 10.166 428 HA GLU 62 HA GLU 62 6.498 -5.137 11.556 429 2HB GLU 62 2HB GLU 62 8.221 -3.076 12.798 430 2HG GLU 62 2HG GLU 62 8.283 -5.770 13.937 431 HE2 GLU 62 HE GLU 62 9.081 -4.784 15.902 432 H ILE 63 H ILE 63 7.817 -2.165 10.036 433 HA ILE 63 HA ILE 63 5.999 -0.360 11.126 434 HB ILE 63 HB ILE 63 8.148 -0.327 9.355 435 2HG1 ILE 63 2HG1 ILE 63 7.875 2.166 9.570 436 1HG2 ILE 63 1HG2 ILE 63 5.646 0.715 8.002 437 2HG2 ILE 63 2HG2 ILE 63 7.308 1.113 7.504 438 3HG2 ILE 63 3HG2 ILE 63 6.735 -0.571 7.428 439 1HD1 ILE 63 1HD1 ILE 63 5.187 1.304 10.363 440 2HD1 ILE 63 2HD1 ILE 63 5.966 2.277 11.634 441 3HD1 ILE 63 3HD1 ILE 63 5.784 2.940 9.991 442 H ILE 64 H ILE 64 5.661 -2.862 8.675 443 HA ILE 64 HA ILE 64 3.448 -1.786 7.331 444 HB ILE 64 HB ILE 64 4.581 -4.546 7.678 445 2HG1 ILE 64 2HG1 ILE 64 5.442 -2.500 6.152 446 1HG2 ILE 64 1HG2 ILE 64 2.971 -5.327 5.962 447 2HG2 ILE 64 2HG2 ILE 64 2.200 -4.899 7.508 448 3HG2 ILE 64 3HG2 ILE 64 2.093 -3.787 6.123 449 1HD1 ILE 64 1HD1 ILE 64 5.724 -4.837 4.520 450 2HD1 ILE 64 2HD1 ILE 64 6.904 -4.154 5.663 451 3HD1 ILE 64 3HD1 ILE 64 5.731 -5.374 6.217 452 H LYS 65 H LYS 65 3.736 -4.044 10.149 453 HA LYS 65 HA LYS 65 0.952 -4.302 10.473 454 2HB LYS 65 2HB LYS 65 2.621 -5.926 11.299 455 2HG LYS 65 2HG LYS 65 3.479 -3.530 12.870 456 2HD LYS 65 2HD LYS 65 3.417 -6.342 14.065 457 2HE LYS 65 2HE LYS 65 4.278 -4.286 15.894 458 1HZ LYS 65 1HZ LYS 65 5.303 -6.206 16.429 459 2HZ LYS 65 2HZ LYS 65 5.126 -6.852 14.945 460 H ARG 66 H ARG 66 3.385 -1.945 11.576 461 HA ARG 66 HA ARG 66 1.693 -0.810 13.509 462 2HB ARG 66 2HB ARG 66 3.404 1.118 13.359 463 2HG ARG 66 2HG ARG 66 5.391 -0.618 13.902 464 2HD ARG 66 2HD ARG 66 3.246 0.586 15.398 465 HE ARG 66 HE ARG 66 3.369 -2.289 15.800 466 1HH1 ARG 66 2HH2 ARG 66 2.967 0.784 17.517 467 2HH1 ARG 66 1HH2 ARG 66 2.096 0.077 18.836 468 2HH2 ARG 66 1HH ARG 66 1.668 -2.282 18.829 469 H LEU 67 H LEU 67 2.353 -0.288 10.033 470 HA LEU 67 HA LEU 67 1.062 2.223 9.866 471 2HB LEU 67 2HB LEU 67 0.995 1.463 7.364 472 HG LEU 67 HG LEU 67 3.781 1.599 8.490 473 1HD1 LEU 67 1HD1 LEU 67 2.436 2.580 5.967 474 2HD1 LEU 67 2HD1 LEU 67 4.073 3.073 6.459 475 3HD1 LEU 67 3HD1 LEU 67 3.721 1.359 6.134 476 1HD2 LEU 67 1HD2 LEU 67 3.298 4.201 8.237 477 2HD2 LEU 67 2HD2 LEU 67 1.655 3.681 8.682 478 3HD2 LEU 67 3HD2 LEU 67 3.024 3.328 9.764 479 H LEU 68 H LEU 68 0.043 -1.185 9.187 480 HA LEU 68 HA LEU 68 -2.455 -0.706 8.223 481 2HB LEU 68 2HB LEU 68 -1.059 -2.885 8.732 482 HG LEU 68 HG LEU 68 -1.665 -2.669 11.265 483 1HD1 LEU 68 1HD1 LEU 68 -3.827 -4.071 11.651 484 2HD1 LEU 68 2HD1 LEU 68 -3.948 -2.322 11.343 485 3HD1 LEU 68 3HD1 LEU 68 -4.282 -3.481 10.034 486 1HD2 LEU 68 1HD2 LEU 68 -0.948 -4.765 9.614 487 2HD2 LEU 68 2HD2 LEU 68 -0.959 -4.780 11.394 488 3HD2 LEU 68 3HD2 LEU 68 -2.362 -5.399 10.491 489 H GLU 69 H GLU 69 -1.365 -0.761 11.663 490 HA GLU 69 HA GLU 69 -3.836 -0.545 12.812 491 2HB GLU 69 2HB GLU 69 -2.657 0.300 14.784 492 2HG GLU 69 2HG GLU 69 -0.375 -1.255 14.140 493 HE2 GLU 69 HE GLU 69 -1.863 -3.734 16.118 494 H GLU 70 H GLU 70 -1.992 1.799 10.961 495 HA GLU 70 HA GLU 70 -3.603 3.969 11.982 496 2HB GLU 70 2HB GLU 70 -2.114 5.416 10.637 497 2HG GLU 70 2HG GLU 70 0.158 4.176 11.599 498 HE2 GLU 70 HE GLU 70 -2.752 6.021 12.732 499 H SER 71 H SER 71 -2.993 2.064 8.989 500 HA SER 71 HA SER 71 -4.937 3.614 7.565 501 2HB SER 71 2HB SER 71 -4.413 1.987 5.700 502 HG SER 71 HG SER 71 -1.862 2.515 6.077 503 H ASN 72 H ASN 72 -4.503 0.043 8.163 504 HA ASN 72 HA ASN 72 -6.860 -0.866 7.446 505 2HB ASN 72 2HB ASN 72 -6.153 -1.878 10.152 506 1HD2 ASN 72 1HD2 ASN 72 -6.417 -4.030 10.223 507 2HD2 ASN 72 2HD2 ASN 72 -6.869 -5.030 8.882 508 H LYS 73 H LYS 73 -6.134 1.171 10.276 509 HA LYS 73 HA LYS 73 -8.454 0.710 11.756 510 2HB LYS 73 2HB LYS 73 -7.594 3.401 12.112 511 2HG LYS 73 2HG LYS 73 -6.327 1.922 14.060 512 2HD LYS 73 2HD LYS 73 -8.581 3.546 13.883 513 2HE LYS 73 2HE LYS 73 -9.590 0.913 13.887 514 1HZ LYS 73 1HZ LYS 73 -10.323 1.981 16.502 515 2HZ LYS 73 2HZ LYS 73 -10.227 0.429 16.017 516 H GLU 74 H GLU 74 -7.673 3.280 9.311 517 HA GLU 74 HA GLU 74 -10.469 3.985 9.306 518 2HB GLU 74 2HB GLU 74 -8.716 5.763 9.355 519 2HG GLU 74 2HG GLU 74 -7.153 4.395 7.777 520 HE2 GLU 74 HE GLU 74 -6.967 4.485 4.758 521 H GLY 75 H GLY 75 -8.865 1.491 8.028 522 1HA GLY 75 1HA GLY 75 -10.304 1.639 5.446 523 2HA GLY 75 2HA GLY 75 -8.694 0.962 5.600 524 H ILE 76 H ILE 76 -9.953 -0.950 4.596 525 HA ILE 76 HA ILE 76 -11.544 -2.384 6.561 526 HB ILE 76 HB ILE 76 -12.159 -2.061 4.105 527 2HG1 ILE 76 2HG1 ILE 76 -12.145 -4.873 5.238 528 1HG2 ILE 76 1HG2 ILE 76 -9.833 -2.705 3.311 529 2HG2 ILE 76 2HG2 ILE 76 -10.286 -4.390 3.664 530 3HG2 ILE 76 3HG2 ILE 76 -11.205 -3.456 2.460 531 1HD1 ILE 76 1HD1 ILE 76 -14.634 -3.670 5.661 532 2HD1 ILE 76 2HD1 ILE 76 -13.389 -3.948 6.902 533 3HD1 ILE 76 3HD1 ILE 76 -13.475 -2.380 6.065 534 H HIS 77 H HIS 77 -11.069 -4.784 6.845 535 HA HIS 77 HA HIS 77 -8.559 -5.084 7.924 536 2HB HIS 77 2HB HIS 77 -9.916 -7.542 6.973 537 HD1 HIS 77 1HD HIS 77 -10.890 -7.506 10.251 538 HD2 HIS 77 2HD HIS 77 -7.068 -7.500 8.520 539 HE1 HIS 77 1HE HIS 77 -9.297 -8.407 12.030 540 H VAL 78 H VAL 78 -6.757 -4.655 6.683 541 HA VAL 78 HA VAL 78 -6.360 -6.475 4.427 542 HB VAL 78 HB VAL 78 -6.268 -3.489 4.452 543 1HG1 VAL 78 1HG1 VAL 78 -4.334 -5.292 3.015 544 2HG1 VAL 78 2HG1 VAL 78 -4.870 -3.772 2.259 545 3HG1 VAL 78 3HG1 VAL 78 -4.044 -3.739 3.835 546 1HG2 VAL 78 1HG2 VAL 78 -7.805 -3.691 2.838 547 2HG2 VAL 78 2HG2 VAL 78 -6.802 -4.845 1.927 548 3HG2 VAL 78 3HG2 VAL 78 -7.865 -5.425 3.232 549 H ILE 79 H ILE 79 -4.275 -7.310 4.280 550 HA ILE 79 HA ILE 79 -2.456 -6.395 6.398 551 HB ILE 79 HB ILE 79 -1.638 -8.630 6.578 552 2HG1 ILE 79 2HG1 ILE 79 -2.454 -8.961 3.960 553 1HG2 ILE 79 1HG2 ILE 79 -4.603 -8.225 6.769 554 2HG2 ILE 79 2HG2 ILE 79 -3.901 -9.821 7.125 555 3HG2 ILE 79 3HG2 ILE 79 -3.387 -8.394 8.057 556 1HD1 ILE 79 1HD1 ILE 79 -0.797 -10.466 4.308 557 2HD1 ILE 79 2HD1 ILE 79 -1.098 -10.471 6.062 558 3HD1 ILE 79 3HD1 ILE 79 -2.026 -11.554 4.997 559 H HIS 80 H HIS 80 -2.440 -4.890 4.125 560 HA HIS 80 HA HIS 80 -0.493 -6.029 2.323 561 2HB HIS 80 2HB HIS 80 -0.780 -3.747 1.200 562 HD1 HIS 80 1HD HIS 80 -3.503 -3.315 0.031 563 HD2 HIS 80 2HD HIS 80 -2.187 -7.101 1.267 564 HE1 HIS 80 1HE HIS 80 -4.924 -5.014 -1.234 565 H ASP 81 H ASP 81 1.426 -4.529 1.688 566 HA ASP 81 HA ASP 81 2.558 -3.585 4.199 567 2HB ASP 81 2HB ASP 81 4.776 -3.931 3.034 568 HD2 ASP 81 HD ASP 81 4.709 -7.381 2.486 569 H SER 82 H SER 82 4.411 -1.811 3.658 570 HA SER 82 HA SER 82 3.074 0.342 2.499 571 2HB SER 82 2HB SER 82 4.994 1.626 3.090 572 HG SER 82 HG SER 82 4.047 -0.156 4.825 573 H ILE 83 H ILE 83 5.393 -2.073 1.298 574 HA ILE 83 HA ILE 83 6.123 -0.622 -1.030 575 HB ILE 83 HB ILE 83 6.292 -3.589 -0.502 576 2HG1 ILE 83 2HG1 ILE 83 7.302 -2.418 1.362 577 1HG2 ILE 83 1HG2 ILE 83 7.185 -1.832 -2.670 578 2HG2 ILE 83 2HG2 ILE 83 8.486 -2.834 -1.981 579 3HG2 ILE 83 3HG2 ILE 83 7.011 -3.603 -2.616 580 1HD1 ILE 83 1HD1 ILE 83 8.708 -4.126 -0.453 581 2HD1 ILE 83 2HD1 ILE 83 9.859 -2.885 0.098 582 3HD1 ILE 83 3HD1 ILE 83 9.008 -3.901 1.286 583 H THR 84 H THR 84 3.524 -2.899 -0.129 584 HA THR 84 HA THR 84 2.645 -3.211 -2.849 585 HB THR 84 HB THR 84 2.013 -4.246 -0.124 586 HG1 THR 84 1HG THR 84 3.078 -5.160 -2.228 587 1HG2 THR 84 1HG2 THR 84 -0.110 -4.101 -2.331 588 2HG2 THR 84 2HG2 THR 84 -0.216 -5.105 -0.864 589 3HG2 THR 84 3HG2 THR 84 -0.235 -3.330 -0.732 590 H LEU 85 H LEU 85 1.918 -1.083 -0.087 591 HA LEU 85 HA LEU 85 -0.524 -0.122 -1.011 592 2HB LEU 85 2HB LEU 85 0.472 1.986 0.334 593 HG LEU 85 HG LEU 85 -1.346 1.088 1.405 594 1HD1 LEU 85 1HD1 LEU 85 -0.048 -1.549 0.872 595 2HD1 LEU 85 2HD1 LEU 85 -1.209 -1.430 2.217 596 3HD1 LEU 85 3HD1 LEU 85 -1.714 -1.002 0.564 597 1HD2 LEU 85 1HD2 LEU 85 -0.476 0.022 3.627 598 2HD2 LEU 85 2HD2 LEU 85 1.126 0.445 2.978 599 3HD2 LEU 85 3HD2 LEU 85 -0.094 1.716 3.235 600 H ALA 86 H ALA 86 2.870 0.787 -1.771 601 HA ALA 86 HA ALA 86 2.232 3.091 -3.236 602 1HB ALA 86 1HB ALA 86 4.542 1.452 -2.589 603 2HB ALA 86 2HB ALA 86 4.586 1.944 -4.299 604 3HB ALA 86 3HB ALA 86 4.468 3.177 -3.021 605 H PHE 87 H PHE 87 2.558 -0.392 -4.116 606 HA PHE 87 HA PHE 87 2.217 0.077 -6.884 607 2HB PHE 87 2HB PHE 87 1.360 -2.529 -5.684 608 HD1 PHE 87 1HD PHE 87 1.189 -3.681 -7.694 609 HD2 PHE 87 2HD PHE 87 4.645 -1.329 -6.968 610 HE1 PHE 87 1HE PHE 87 2.238 -4.575 -9.791 611 HE2 PHE 87 2HE PHE 87 5.694 -2.223 -9.065 612 HZ PHE 87 HZ PHE 87 4.479 -3.836 -10.452 613 H LEU 88 H LEU 88 0.022 -1.176 -4.271 614 HA LEU 88 HA LEU 88 -2.201 -1.500 -5.900 615 2HB LEU 88 2HB LEU 88 -3.359 -1.061 -3.560 616 HG LEU 88 HG LEU 88 -3.389 -3.286 -4.333 617 1HD1 LEU 88 1HD1 LEU 88 -1.209 -4.693 -4.152 618 2HD1 LEU 88 2HD1 LEU 88 -1.452 -3.622 -5.553 619 3HD1 LEU 88 3HD1 LEU 88 -0.391 -3.112 -4.217 620 1HD2 LEU 88 1HD2 LEU 88 -2.334 -4.567 -2.294 621 2HD2 LEU 88 2HD2 LEU 88 -2.096 -2.921 -1.657 622 3HD2 LEU 88 3HD2 LEU 88 -3.732 -3.487 -2.073 623 H ILE 89 H ILE 89 -1.156 1.323 -3.881 624 HA ILE 89 HA ILE 89 -3.342 2.925 -4.579 625 HB ILE 89 HB ILE 89 -0.569 3.568 -3.583 626 2HG1 ILE 89 2HG1 ILE 89 -2.077 2.201 -2.120 627 1HG2 ILE 89 1HG2 ILE 89 -1.769 5.437 -4.888 628 2HG2 ILE 89 2HG2 ILE 89 -2.889 5.487 -3.505 629 3HG2 ILE 89 3HG2 ILE 89 -1.154 5.801 -3.257 630 1HD1 ILE 89 1HD1 ILE 89 -0.707 3.251 -0.632 631 2HD1 ILE 89 2HD1 ILE 89 -0.834 4.808 -1.484 632 3HD1 ILE 89 3HD1 ILE 89 -2.096 4.322 -0.328 633 H ARG 90 H ARG 90 -0.001 2.638 -5.949 634 HA ARG 90 HA ARG 90 0.044 4.593 -7.700 635 2HB ARG 90 2HB ARG 90 0.911 2.401 -9.267 636 2HG ARG 90 2HG ARG 90 2.777 3.390 -7.157 637 2HD ARG 90 2HD ARG 90 3.611 4.216 -9.709 638 HE ARG 90 HE ARG 90 4.354 1.523 -8.714 639 1HH1 ARG 90 2HH2 ARG 90 4.989 5.008 -8.656 640 2HH1 ARG 90 1HH2 ARG 90 6.582 4.833 -8.001 641 2HH2 ARG 90 1HH ARG 90 7.425 2.639 -7.534 642 H GLU 91 H GLU 91 -1.974 1.645 -7.910 643 HA GLU 91 HA GLU 91 -2.764 2.135 -10.581 644 2HB GLU 91 2HB GLU 91 -4.700 0.466 -9.439 645 2HG GLU 91 2HG GLU 91 -3.006 -1.375 -10.267 646 HE2 GLU 91 HE GLU 91 -3.761 0.190 -13.668 647 H LYS 92 H LYS 92 -4.158 2.731 -7.306 648 HA LYS 92 HA LYS 92 -6.498 3.957 -8.479 649 2HB LYS 92 2HB LYS 92 -6.251 2.488 -6.284 650 2HG LYS 92 2HG LYS 92 -6.399 5.126 -4.905 651 2HD LYS 92 2HD LYS 92 -4.774 3.659 -3.382 652 2HE LYS 92 2HE LYS 92 -7.228 2.246 -3.085 653 1HZ LYS 92 1HZ LYS 92 -7.394 3.604 -1.175 654 2HZ LYS 92 2HZ LYS 92 -5.786 3.494 -1.412 655 H ALA 93 H ALA 93 -3.325 4.864 -8.144 656 HA ALA 93 HA ALA 93 -3.819 7.541 -8.675 657 1HB ALA 93 1HB ALA 93 -4.431 7.193 -6.090 658 2HB ALA 93 2HB ALA 93 -2.670 7.374 -5.912 659 3HB ALA 93 3HB ALA 93 -3.625 8.669 -6.675 660 H SER 94 H SER 94 -2.290 6.816 -10.292 661 HA SER 94 HA SER 94 0.202 5.795 -9.526 662 2HB SER 94 2HB SER 94 -0.584 7.184 -12.127 663 HG SER 94 HG SER 94 1.225 5.003 -12.027 664 H HIS 95 H HIS 95 -1.149 8.862 -9.128 665 HA HIS 95 HA HIS 95 1.339 10.278 -9.605 666 2HB HIS 95 2HB HIS 95 -1.001 11.695 -8.464 667 HD1 HIS 95 1HD HIS 95 -0.201 14.049 -8.577 668 HD2 HIS 95 2HD HIS 95 1.107 11.793 -11.864 669 HE1 HIS 95 1HE HIS 95 1.116 15.650 -10.065 670 H ARG 96 H ARG 96 -1.115 10.315 -6.922 671 HA ARG 96 HA ARG 96 0.947 10.971 -5.096 672 2HB ARG 96 2HB ARG 96 -1.259 11.920 -4.722 673 2HG ARG 96 2HG ARG 96 -2.137 9.238 -5.455 674 2HD ARG 96 2HD ARG 96 -4.079 9.192 -3.811 675 HE ARG 96 HE ARG 96 -1.343 8.420 -3.213 676 1HH1 ARG 96 2HH2 ARG 96 -4.595 8.586 -1.818 677 2HH1 ARG 96 1HH2 ARG 96 -4.304 7.317 -0.674 678 2HH2 ARG 96 1HH ARG 96 -2.158 6.250 -0.626 679 H ILE 97 H ILE 97 2.398 9.351 -4.545 680 HA ILE 97 HA ILE 97 1.215 6.813 -3.673 681 HB ILE 97 HB ILE 97 3.819 7.040 -5.173 682 2HG1 ILE 97 2HG1 ILE 97 1.519 7.647 -6.391 683 1HG2 ILE 97 1HG2 ILE 97 3.501 4.594 -5.451 684 2HG2 ILE 97 2HG2 ILE 97 3.691 5.098 -3.755 685 3HG2 ILE 97 3HG2 ILE 97 2.077 4.690 -4.385 686 1HD1 ILE 97 1HD1 ILE 97 3.780 5.879 -7.411 687 2HD1 ILE 97 2HD1 ILE 97 2.524 6.553 -8.475 688 3HD1 ILE 97 3HD1 ILE 97 3.615 7.642 -7.584 689 H VAL 98 H VAL 98 2.695 5.608 -2.139 690 HA VAL 98 HA VAL 98 4.114 7.586 -0.495 691 HB VAL 98 HB VAL 98 2.347 6.840 0.783 692 1HG1 VAL 98 1HG1 VAL 98 1.248 5.210 -0.438 693 2HG1 VAL 98 2HG1 VAL 98 2.712 4.219 -0.641 694 3HG1 VAL 98 3HG1 VAL 98 1.878 4.261 0.930 695 1HG2 VAL 98 1HG2 VAL 98 4.487 4.791 1.440 696 2HG2 VAL 98 2HG2 VAL 98 4.556 6.507 1.907 697 3HG2 VAL 98 3HG2 VAL 98 3.261 5.463 2.540 698 H HIS 99 H HIS 99 6.289 7.451 -0.614 699 HA HIS 99 HA HIS 99 7.456 5.052 -1.682 700 2HB HIS 99 2HB HIS 99 9.596 6.497 -1.264 701 HD1 HIS 99 1HD HIS 99 7.461 8.944 -3.017 702 HD2 HIS 99 2HD HIS 99 9.433 5.362 -3.961 703 HE1 HIS 99 1HE HIS 99 7.554 8.828 -5.565 704 H ARG 100 H ARG 100 9.861 4.762 -0.389 705 HA ARG 100 HA ARG 100 9.439 4.748 2.415 706 2HB ARG 100 2HB ARG 100 8.230 2.706 2.040 707 2HG ARG 100 2HG ARG 100 9.965 0.953 0.678 708 2HD ARG 100 2HD ARG 100 7.342 2.253 0.242 709 HE ARG 100 HE ARG 100 7.602 2.565 -2.047 710 1HH1 ARG 100 2HH2 ARG 100 9.855 0.026 -1.035 711 2HH1 ARG 100 1HH2 ARG 100 10.474 -0.234 -2.632 712 2HH2 ARG 100 1HH ARG 100 9.614 1.068 -4.450 713 H VAL 101 H VAL 101 11.439 5.534 3.013 714 HA VAL 101 HA VAL 101 13.767 4.489 1.563 715 HB VAL 101 HB VAL 101 13.565 6.832 1.296 716 1HG1 VAL 101 1HG1 VAL 101 13.466 8.380 3.283 717 2HG1 VAL 101 2HG1 VAL 101 11.994 7.418 3.007 718 3HG1 VAL 101 3HG1 VAL 101 13.132 6.955 4.295 719 1HG2 VAL 101 1HG2 VAL 101 15.830 5.853 1.931 720 2HG2 VAL 101 2HG2 VAL 101 15.642 7.610 2.137 721 3HG2 VAL 101 3HG2 VAL 101 15.562 6.535 3.553 722 H VAL 102 H VAL 102 15.637 3.822 2.777 723 HA VAL 102 HA VAL 102 14.999 3.227 5.585 724 HB VAL 102 HB VAL 102 14.918 1.261 4.090 725 1HG1 VAL 102 1HG1 VAL 102 17.877 1.249 3.755 726 2HG1 VAL 102 2HG1 VAL 102 16.597 0.604 2.699 727 3HG1 VAL 102 3HG1 VAL 102 16.951 2.349 2.706 728 1HG2 VAL 102 1HG2 VAL 102 15.928 -0.153 5.608 729 2HG2 VAL 102 2HG2 VAL 102 17.357 0.891 5.801 730 3HG2 VAL 102 3HG2 VAL 102 15.814 1.341 6.567 731 H LYS 103 H LYS 103 15.998 5.182 6.311 732 HA LYS 103 HA LYS 103 18.710 4.938 6.865 733 2HB LYS 103 2HB LYS 103 18.300 7.133 4.843 734 2HG LYS 103 2HG LYS 103 20.487 6.019 6.459 735 2HD LYS 103 2HD LYS 103 20.990 6.403 3.471 736 2HE LYS 103 2HE LYS 103 22.705 6.388 5.841 737 1HZ LYS 103 1HZ LYS 103 23.448 4.271 5.593 738 2HZ LYS 103 2HZ LYS 103 22.818 4.074 4.105 739 H SER 104 H SER 104 15.941 7.158 6.244 740 HA SER 104 HA SER 104 16.442 8.225 8.898 741 2HB SER 104 2HB SER 104 15.495 10.061 6.687 742 HG SER 104 HG SER 104 16.932 10.393 9.178 743 H ASP 105 H ASP 105 14.337 9.759 9.424 744 HA ASP 105 HA ASP 105 12.146 7.943 9.075 745 2HB ASP 105 2HB ASP 105 11.669 10.534 10.457 746 HD2 ASP 105 HD ASP 105 12.499 7.878 12.288 747 H PHE 106 H PHE 106 10.143 8.529 8.009 748 HA PHE 106 HA PHE 106 10.063 11.164 6.765 749 2HB PHE 106 2HB PHE 106 9.353 8.607 5.254 750 HD1 PHE 106 1HD PHE 106 8.019 9.438 3.548 751 HD2 PHE 106 2HD PHE 106 11.555 11.540 4.589 752 HE1 PHE 106 1HE PHE 106 7.679 10.977 1.594 753 HE2 PHE 106 2HE PHE 106 11.215 13.079 2.635 754 HZ PHE 106 HZ PHE 106 9.282 12.779 1.161 755 H GLU 107 H GLU 107 7.831 11.549 5.726 756 HA GLU 107 HA GLU 107 5.807 9.942 7.045 757 2HB GLU 107 2HB GLU 107 6.544 12.515 7.936 758 2HG GLU 107 2HG GLU 107 5.213 13.346 5.902 759 HE2 GLU 107 HE GLU 107 2.974 12.460 8.441 760 H ILE 108 H ILE 108 3.813 9.798 5.887 761 HA ILE 108 HA ILE 108 3.543 11.383 3.484 762 HB ILE 108 HB ILE 108 3.289 8.462 3.048 763 2HG1 ILE 108 2HG1 ILE 108 5.953 9.862 3.351 764 1HG2 ILE 108 1HG2 ILE 108 3.166 10.789 1.502 765 2HG2 ILE 108 2HG2 ILE 108 4.699 10.009 1.048 766 3HG2 ILE 108 3HG2 ILE 108 3.170 9.105 0.926 767 1HD1 ILE 108 1HD1 ILE 108 5.725 7.100 4.245 768 2HD1 ILE 108 2HD1 ILE 108 6.171 8.548 5.181 769 3HD1 ILE 108 3HD1 ILE 108 4.459 8.099 4.998 770 H GLY 109 H GLY 109 1.408 11.803 3.041 771 1HA GLY 109 1HA GLY 109 -0.678 10.043 3.954 772 2HA GLY 109 2HA GLY 109 -0.543 11.504 4.912 773 H VAL 110 H VAL 110 -2.863 10.974 3.401 774 HA VAL 110 HA VAL 110 -2.735 13.210 1.540 775 HB VAL 110 HB VAL 110 -2.742 10.530 0.702 776 1HG1 VAL 110 1HG1 VAL 110 -5.416 11.798 0.040 777 2HG1 VAL 110 2HG1 VAL 110 -4.836 10.170 -0.391 778 3HG1 VAL 110 3HG1 VAL 110 -5.195 10.566 1.307 779 1HG2 VAL 110 1HG2 VAL 110 -2.449 11.444 -1.387 780 2HG2 VAL 110 2HG2 VAL 110 -3.670 12.714 -1.128 781 3HG2 VAL 110 3HG2 VAL 110 -2.064 12.857 -0.374 782 H THR 111 H THR 111 -5.133 13.726 0.820 783 HA THR 111 HA THR 111 -6.838 13.331 3.193 784 HB THR 111 HB THR 111 -7.608 15.640 2.835 785 HG1 THR 111 1HG THR 111 -6.862 16.715 0.922 786 1HG2 THR 111 1HG2 THR 111 -5.194 15.211 3.863 787 2HG2 THR 111 2HG2 THR 111 -4.627 15.868 2.309 788 3HG2 THR 111 3HG2 THR 111 -5.650 16.861 3.375 789 H ARG 112 H ARG 112 -6.515 13.290 -0.331 790 HA ARG 112 HA ARG 112 -9.017 11.891 -0.396 791 2HB ARG 112 2HB ARG 112 -10.236 13.485 -1.480 792 2HG ARG 112 2HG ARG 112 -7.761 15.085 -0.748 793 2HD ARG 112 2HD ARG 112 -9.112 15.917 -2.898 794 HE ARG 112 HE ARG 112 -11.090 16.204 -0.769 795 1HH1 ARG 112 2HH2 ARG 112 -9.918 17.631 -3.793 796 2HH1 ARG 112 1HH2 ARG 112 -11.424 18.403 -4.158 797 2HH2 ARG 112 1HH ARG 112 -13.269 18.150 -2.648 798 H ASP 113 H ASP 113 -6.262 13.332 -2.265 799 HA ASP 113 HA ASP 113 -5.087 11.137 -3.096 800 2HB ASP 113 2HB ASP 113 -6.357 11.371 -5.618 801 HD2 ASP 113 HD ASP 113 -6.582 8.100 -3.308 802 H GLY 114 H GLY 114 -6.370 14.338 -3.745 803 1HA GLY 114 1HA GLY 114 -4.665 14.993 -5.958 804 2HA GLY 114 2HA GLY 114 -5.666 16.079 -5.014 805 H GLU 115 H GLU 115 -4.869 16.518 -2.670 806 HA GLU 115 HA GLU 115 -2.157 17.325 -2.912 807 2HB GLU 115 2HB GLU 115 -3.772 18.807 -1.836 808 2HG GLU 115 2HG GLU 115 -4.024 17.187 0.641 809 HE2 GLU 115 HE GLU 115 -5.058 20.223 0.084 810 H ILE 116 H ILE 116 -0.444 16.808 -1.304 811 HA ILE 116 HA ILE 116 -0.901 14.313 0.137 812 HB ILE 116 HB ILE 116 1.284 13.461 -0.717 813 2HG1 ILE 116 2HG1 ILE 116 1.115 15.967 -2.299 814 1HG2 ILE 116 1HG2 ILE 116 -1.187 13.732 -2.387 815 2HG2 ILE 116 2HG2 ILE 116 0.249 12.937 -3.075 816 3HG2 ILE 116 3HG2 ILE 116 -0.495 12.300 -1.589 817 1HD1 ILE 116 1HD1 ILE 116 3.525 15.838 -2.114 818 2HD1 ILE 116 2HD1 ILE 116 2.858 15.406 -0.523 819 3HD1 ILE 116 3HD1 ILE 116 3.452 14.132 -1.614 820 H ILE 117 H ILE 117 0.829 13.913 1.783 821 HA ILE 117 HA ILE 117 2.194 16.404 2.512 822 HB ILE 117 HB ILE 117 1.656 15.758 4.911 823 2HG1 ILE 117 2HG1 ILE 117 0.831 13.451 4.275 824 1HG2 ILE 117 1HG2 ILE 117 -0.946 16.513 3.860 825 2HG2 ILE 117 2HG2 ILE 117 0.214 17.450 4.832 826 3HG2 ILE 117 3HG2 ILE 117 0.376 17.397 3.061 827 1HD1 ILE 117 1HD1 ILE 117 0.377 14.425 6.506 828 2HD1 ILE 117 2HD1 ILE 117 -1.050 15.267 5.855 829 3HD1 ILE 117 3HD1 ILE 117 -1.026 13.489 5.935 830 H VAL 118 H VAL 118 4.268 16.153 3.368 831 HA VAL 118 HA VAL 118 5.172 13.450 3.916 832 HB VAL 118 HB VAL 118 7.237 14.205 2.405 833 1HG1 VAL 118 1HG1 VAL 118 6.087 12.077 2.209 834 2HG1 VAL 118 2HG1 VAL 118 4.705 12.859 1.405 835 3HG1 VAL 118 3HG1 VAL 118 6.288 12.794 0.592 836 1HG2 VAL 118 1HG2 VAL 118 6.507 15.268 0.338 837 2HG2 VAL 118 2HG2 VAL 118 4.847 15.408 0.967 838 3HG2 VAL 118 3HG2 VAL 118 6.166 16.332 1.725 839 H ASP 119 H ASP 119 7.215 13.430 5.112 840 HA ASP 119 HA ASP 119 8.315 15.940 5.858 841 2HB ASP 119 2HB ASP 119 7.341 14.322 8.204 842 HD2 ASP 119 HD ASP 119 6.494 17.479 9.457 843 H LEU 120 H LEU 120 9.989 15.369 7.855 844 HA LEU 120 HA LEU 120 11.161 12.766 7.162 845 2HB LEU 120 2HB LEU 120 12.237 15.282 6.834 846 HG LEU 120 HG LEU 120 12.668 15.049 9.462 847 1HD1 LEU 120 1HD1 LEU 120 14.097 13.477 10.089 848 2HD1 LEU 120 2HD1 LEU 120 14.172 12.884 8.413 849 3HD1 LEU 120 3HD1 LEU 120 15.327 14.117 8.972 850 1HD2 LEU 120 1HD2 LEU 120 15.099 15.957 8.059 851 2HD2 LEU 120 2HD2 LEU 120 13.575 16.661 7.468 852 3HD2 LEU 120 3HD2 LEU 120 14.023 16.819 9.184 853 H ASN 121 H ASN 121 9.268 14.221 9.420 854 HA ASN 121 HA ASN 121 9.030 14.112 11.600 855 2HB ASN 121 2HB ASN 121 9.885 11.232 10.998 856 1HD2 ASN 121 1HD2 ASN 121 7.260 12.755 12.814 857 2HD2 ASN 121 2HD2 ASN 121 7.591 12.030 14.352 858 H SER 122 H SER 122 11.580 15.194 11.069 859 HA SER 122 HA SER 122 13.726 13.840 12.078 860 2HB SER 122 2HB SER 122 13.733 16.725 12.714 861 HG SER 122 HG SER 122 15.226 15.920 10.538 Start of MODEL 11 1 H MET 1 H MET 1 12.041 -9.460 -18.510 2 HA MET 1 HA MET 1 13.464 -7.351 -18.170 3 2HB MET 1 2HB MET 1 11.511 -6.124 -19.638 4 2HG MET 1 2HG MET 1 12.278 -8.146 -21.411 5 1HE MET 1 1HE MET 1 15.813 -5.785 -21.633 6 2HE MET 1 2HE MET 1 15.323 -5.763 -19.923 7 3HE MET 1 3HE MET 1 15.417 -7.308 -20.803 8 H ARG 2 H ARG 2 13.120 -7.042 -15.708 9 HA ARG 2 HA ARG 2 12.623 -5.683 -14.101 10 2HB ARG 2 2HB ARG 2 10.914 -3.664 -15.253 11 2HG ARG 2 2HG ARG 2 13.794 -3.059 -15.254 12 2HD ARG 2 2HD ARG 2 12.893 -1.571 -13.277 13 HE ARG 2 HE ARG 2 12.600 -1.263 -16.136 14 1HH1 ARG 2 2HH2 ARG 2 11.604 0.202 -13.067 15 2HH1 ARG 2 1HH2 ARG 2 11.388 1.780 -13.747 16 2HH2 ARG 2 1HH ARG 2 11.811 2.120 -16.082 17 H GLU 3 H GLU 3 11.234 -7.392 -13.217 18 HA GLU 3 HA GLU 3 8.411 -6.703 -13.477 19 2HB GLU 3 2HB GLU 3 8.654 -8.791 -14.624 20 2HG GLU 3 2HG GLU 3 10.441 -9.522 -12.278 21 HE2 GLU 3 HE GLU 3 10.722 -11.573 -14.781 22 H ARG 4 H ARG 4 7.128 -6.883 -11.534 23 HA ARG 4 HA ARG 4 8.196 -7.876 -9.173 24 2HB ARG 4 2HB ARG 4 7.902 -4.924 -8.805 25 2HG ARG 4 2HG ARG 4 8.839 -7.022 -7.273 26 2HD ARG 4 2HD ARG 4 10.952 -6.569 -9.041 27 HE ARG 4 HE ARG 4 11.207 -4.665 -6.822 28 1HH1 ARG 4 2HH2 ARG 4 12.977 -6.634 -9.175 29 2HH1 ARG 4 1HH2 ARG 4 14.407 -5.660 -9.101 30 2HH2 ARG 4 1HH ARG 4 14.452 -3.750 -7.652 31 H GLY 5 H GLY 5 6.794 -6.271 -7.268 32 1HA GLY 5 1HA GLY 5 4.650 -5.297 -6.930 33 2HA GLY 5 2HA GLY 5 4.039 -6.172 -8.319 34 H TRP 6 H TRP 6 5.125 -6.458 -4.921 35 HA TRP 6 HA TRP 6 4.932 -8.114 -3.433 36 2HB TRP 6 2HB TRP 6 2.849 -7.694 -2.822 37 HD1 TRP 6 HD TRP 6 2.125 -5.290 -3.797 38 HE1 TRP 6 1HE TRP 6 0.556 -4.432 -5.738 39 HE3 TRP 6 3HE TRP 6 1.690 -9.782 -6.140 40 HZ2 TRP 6 2HZ TRP 6 -0.664 -5.701 -7.985 41 HZ3 TRP 6 3HZ TRP 6 0.292 -9.886 -8.202 42 HH2 TRP 6 HH TRP 6 -0.863 -7.940 -9.127 43 H SER 7 H SER 7 6.605 -9.302 -4.851 44 HA SER 7 HA SER 7 5.349 -11.719 -5.896 45 2HB SER 7 2HB SER 7 7.893 -11.656 -7.017 46 HG SER 7 HG SER 7 6.699 -10.803 -8.941 47 H GLN 8 H GLN 8 8.249 -10.293 -4.258 48 HA GLN 8 HA GLN 8 8.307 -12.406 -2.415 49 2HB GLN 8 2HB GLN 8 10.928 -12.514 -3.720 50 2HG GLN 8 2HG GLN 8 10.450 -14.961 -3.624 51 1HE2 GLN 8 1HE2 GLN 8 8.265 -14.299 -1.123 52 2HE2 GLN 8 2HE2 GLN 8 9.369 -14.170 0.206 53 H LYS 9 H LYS 9 8.020 -9.776 -1.915 54 HA LYS 9 HA LYS 9 10.492 -8.398 -1.672 55 2HB LYS 9 2HB LYS 9 9.059 -6.831 -0.269 56 2HG LYS 9 2HG LYS 9 7.566 -6.263 -2.311 57 2HD LYS 9 2HD LYS 9 10.588 -6.543 -2.438 58 2HE LYS 9 2HE LYS 9 9.092 -6.471 -4.749 59 1HZ LYS 9 1HZ LYS 9 9.620 -3.662 -3.937 60 2HZ LYS 9 2HZ LYS 9 9.237 -4.111 -5.456 61 H LYS 10 H LYS 10 8.212 -9.257 1.008 62 HA LYS 10 HA LYS 10 10.342 -10.626 2.389 63 2HB LYS 10 2HB LYS 10 9.178 -8.056 3.505 64 2HG LYS 10 2HG LYS 10 11.407 -9.739 4.696 65 2HD LYS 10 2HD LYS 10 9.739 -8.438 6.621 66 2HE LYS 10 2HE LYS 10 11.992 -6.854 6.423 67 1HZ LYS 10 1HZ LYS 10 11.729 -7.948 8.421 68 2HZ LYS 10 2HZ LYS 10 11.415 -9.401 7.756 69 H ILE 11 H ILE 11 7.491 -8.962 3.800 70 HA ILE 11 HA ILE 11 6.522 -11.483 4.742 71 HB ILE 11 HB ILE 11 5.191 -8.783 4.905 72 2HG1 ILE 11 2HG1 ILE 11 7.439 -8.464 5.694 73 1HG2 ILE 11 1HG2 ILE 11 4.344 -11.319 5.695 74 2HG2 ILE 11 2HG2 ILE 11 4.942 -10.558 7.189 75 3HG2 ILE 11 3HG2 ILE 11 3.685 -9.752 6.222 76 1HD1 ILE 11 1HD1 ILE 11 6.770 -7.418 7.599 77 2HD1 ILE 11 2HD1 ILE 11 5.163 -8.115 7.280 78 3HD1 ILE 11 3HD1 ILE 11 6.299 -8.954 8.366 79 H ALA 12 H ALA 12 6.581 -10.336 1.714 80 HA ALA 12 HA ALA 12 4.142 -10.067 0.665 81 1HB ALA 12 1HB ALA 12 5.647 -10.098 -1.030 82 2HB ALA 12 2HB ALA 12 6.707 -11.254 -0.189 83 3HB ALA 12 3HB ALA 12 5.300 -11.843 -1.105 84 H ARG 13 H ARG 13 5.525 -13.041 2.086 85 HA ARG 13 HA ARG 13 3.706 -14.823 1.088 86 2HB ARG 13 2HB ARG 13 4.217 -15.970 3.470 87 2HG ARG 13 2HG ARG 13 6.804 -15.905 2.279 88 2HD ARG 13 2HD ARG 13 5.401 -17.995 1.044 89 HE ARG 13 HE ARG 13 7.346 -17.767 3.048 90 1HH1 ARG 13 2HH2 ARG 13 4.577 -19.893 2.438 91 2HH1 ARG 13 1HH2 ARG 13 5.274 -21.245 3.266 92 2HH2 ARG 13 1HH ARG 13 7.444 -21.021 4.259 93 H GLU 14 H GLU 14 3.679 -13.095 4.299 94 HA GLU 14 HA GLU 14 1.215 -14.045 5.080 95 2HB GLU 14 2HB GLU 14 2.203 -11.294 5.871 96 2HG GLU 14 2HG GLU 14 0.125 -12.777 6.808 97 HE2 GLU 14 HE GLU 14 2.149 -12.545 9.403 98 H LEU 15 H LEU 15 2.119 -11.550 2.771 99 HA LEU 15 HA LEU 15 -0.351 -10.147 2.859 100 2HB LEU 15 2HB LEU 15 0.558 -9.321 0.583 101 HG LEU 15 HG LEU 15 0.834 -8.144 2.867 102 1HD1 LEU 15 1HD1 LEU 15 2.513 -9.747 3.746 103 2HD1 LEU 15 2HD1 LEU 15 3.674 -9.143 2.540 104 3HD1 LEU 15 3HD1 LEU 15 3.052 -8.051 3.801 105 1HD2 LEU 15 1HD2 LEU 15 2.344 -7.719 0.340 106 2HD2 LEU 15 2HD2 LEU 15 1.150 -6.685 1.161 107 3HD2 LEU 15 3HD2 LEU 15 2.827 -6.750 1.754 108 H LYS 16 H LYS 16 1.099 -12.556 0.559 109 HA LYS 16 HA LYS 16 -1.074 -12.759 -1.113 110 2HB LYS 16 2HB LYS 16 1.249 -14.492 -0.404 111 2HG LYS 16 2HG LYS 16 -0.660 -16.100 -0.610 112 2HD LYS 16 2HD LYS 16 -0.977 -15.370 -3.508 113 2HE LYS 16 2HE LYS 16 -3.192 -16.288 -3.182 114 1HZ LYS 16 1HZ LYS 16 -2.154 -18.271 -3.159 115 2HZ LYS 16 2HZ LYS 16 -0.912 -17.734 -2.252 116 H THR 17 H THR 17 -0.530 -14.087 2.140 117 HA THR 17 HA THR 17 -2.690 -15.943 2.011 118 HB THR 17 HB THR 17 -0.908 -14.747 4.176 119 HG1 THR 17 1HG THR 17 -0.180 -16.458 2.675 120 1HG2 THR 17 1HG2 THR 17 -2.674 -15.254 5.619 121 2HG2 THR 17 2HG2 THR 17 -3.436 -16.363 4.455 122 3HG2 THR 17 3HG2 THR 17 -2.027 -16.898 5.402 123 H THR 18 H THR 18 -2.395 -12.486 2.639 124 HA THR 18 HA THR 18 -4.982 -12.344 3.909 125 HB THR 18 HB THR 18 -2.834 -10.867 4.277 126 HG1 THR 18 1HG THR 18 -4.400 -9.107 4.704 127 1HG2 THR 18 1HG2 THR 18 -3.850 -8.772 2.582 128 2HG2 THR 18 2HG2 THR 18 -2.221 -9.488 2.562 129 3HG2 THR 18 3HG2 THR 18 -3.507 -10.175 1.543 130 H ARG 19 H ARG 19 -5.633 -9.786 2.461 131 HA ARG 19 HA ARG 19 -6.632 -9.088 0.648 132 2HB ARG 19 2HB ARG 19 -6.680 -11.552 -0.992 133 2HG ARG 19 2HG ARG 19 -6.830 -8.956 -1.594 134 2HD ARG 19 2HD ARG 19 -4.560 -8.445 -0.616 135 HE ARG 19 HE ARG 19 -3.667 -10.735 -1.824 136 1HH1 ARG 19 2HH2 ARG 19 -2.818 -7.331 -2.321 137 2HH1 ARG 19 1HH2 ARG 19 -1.198 -7.680 -2.825 138 2HH2 ARG 19 1HH ARG 19 -0.462 -9.959 -2.917 139 H GLN 20 H GLN 20 -8.095 -9.958 2.791 140 HA GLN 20 HA GLN 20 -9.887 -12.015 2.194 141 2HB GLN 20 2HB GLN 20 -11.212 -10.452 4.047 142 2HG GLN 20 2HG GLN 20 -8.817 -12.160 4.813 143 1HE2 GLN 20 1HE2 GLN 20 -11.564 -13.675 5.587 144 2HE2 GLN 20 2HE2 GLN 20 -11.899 -13.041 7.164 145 H ASN 21 H ASN 21 -10.318 -11.254 -0.121 146 HA ASN 21 HA ASN 21 -11.583 -10.352 -1.636 147 2HB ASN 21 2HB ASN 21 -13.800 -9.689 0.301 148 1HD2 ASN 21 1HD2 ASN 21 -15.717 -9.770 -0.679 149 2HD2 ASN 21 2HD2 ASN 21 -15.998 -10.246 -2.322 150 H VAL 22 H VAL 22 -9.824 -8.544 -0.059 151 HA VAL 22 HA VAL 22 -11.012 -6.054 -0.848 152 HB VAL 22 HB VAL 22 -10.805 -6.895 1.997 153 1HG1 VAL 22 1HG1 VAL 22 -9.268 -5.225 2.333 154 2HG1 VAL 22 2HG1 VAL 22 -9.830 -4.269 0.940 155 3HG1 VAL 22 3HG1 VAL 22 -10.770 -4.277 2.453 156 1HG2 VAL 22 1HG2 VAL 22 -12.673 -4.979 1.948 157 2HG2 VAL 22 2HG2 VAL 22 -12.695 -5.416 0.222 158 3HG2 VAL 22 3HG2 VAL 22 -13.012 -6.657 1.458 159 H SER 23 H SER 23 -9.410 -4.929 -1.823 160 HA SER 23 HA SER 23 -7.432 -3.995 -2.079 161 2HB SER 23 2HB SER 23 -7.136 -4.481 0.505 162 HG SER 23 HG SER 23 -4.923 -6.040 -0.337 163 H ALA 24 H ALA 24 -8.544 -6.794 -2.967 164 HA ALA 24 HA ALA 24 -6.175 -8.266 -3.615 165 1HB ALA 24 1HB ALA 24 -8.861 -8.845 -3.320 166 2HB ALA 24 2HB ALA 24 -8.661 -8.865 -5.088 167 3HB ALA 24 3HB ALA 24 -7.655 -9.920 -4.068 168 H ILE 25 H ILE 25 -5.272 -6.071 -4.551 169 HA ILE 25 HA ILE 25 -6.286 -5.408 -7.151 170 HB ILE 25 HB ILE 25 -3.821 -4.509 -5.657 171 2HG1 ILE 25 2HG1 ILE 25 -6.114 -4.033 -4.634 172 1HG2 ILE 25 1HG2 ILE 25 -5.121 -3.288 -8.106 173 2HG2 ILE 25 2HG2 ILE 25 -3.675 -2.701 -7.251 174 3HG2 ILE 25 3HG2 ILE 25 -3.628 -4.257 -8.112 175 1HD1 ILE 25 1HD1 ILE 25 -3.857 -2.218 -5.189 176 2HD1 ILE 25 2HD1 ILE 25 -5.378 -1.353 -4.864 177 3HD1 ILE 25 3HD1 ILE 25 -4.735 -2.504 -3.667 178 H GLU 26 H GLU 26 -4.272 -7.852 -5.831 179 HA GLU 26 HA GLU 26 -2.521 -8.036 -8.053 180 2HB GLU 26 2HB GLU 26 -2.073 -8.829 -5.649 181 2HG GLU 26 2HG GLU 26 -2.722 -11.270 -5.298 182 HE2 GLU 26 HE GLU 26 -5.333 -11.613 -4.965 183 H ARG 27 H ARG 27 -5.513 -9.714 -6.929 184 HA ARG 27 HA ARG 27 -5.458 -11.477 -9.146 185 2HB ARG 27 2HB ARG 27 -6.482 -12.188 -7.022 186 2HG ARG 27 2HG ARG 27 -7.418 -9.615 -6.801 187 2HD ARG 27 2HD ARG 27 -9.224 -10.434 -8.578 188 HE ARG 27 HE ARG 27 -9.791 -12.354 -6.736 189 1HH1 ARG 27 2HH2 ARG 27 -11.612 -9.462 -7.671 190 2HH1 ARG 27 1HH2 ARG 27 -13.153 -10.161 -7.299 191 2HH2 ARG 27 1HH ARG 27 -13.253 -12.404 -6.462 192 H LYS 28 H LYS 28 -7.085 -8.414 -8.220 193 HA LYS 28 HA LYS 28 -8.948 -8.411 -10.332 194 2HB LYS 28 2HB LYS 28 -7.957 -5.856 -9.143 195 2HG LYS 28 2HG LYS 28 -10.026 -6.226 -10.693 196 2HD LYS 28 2HD LYS 28 -11.660 -6.782 -8.297 197 2HE LYS 28 2HE LYS 28 -11.589 -8.258 -10.959 198 1HZ LYS 28 1HZ LYS 28 -14.096 -8.081 -10.332 199 2HZ LYS 28 2HZ LYS 28 -13.189 -9.213 -9.592 200 H ALA 29 H ALA 29 -5.730 -6.789 -9.894 201 HA ALA 29 HA ALA 29 -5.680 -5.613 -12.416 202 1HB ALA 29 1HB ALA 29 -3.394 -6.570 -10.645 203 2HB ALA 29 2HB ALA 29 -3.259 -5.396 -11.975 204 3HB ALA 29 3HB ALA 29 -4.215 -4.995 -10.527 205 H MET 30 H MET 30 -4.311 -8.762 -11.233 206 HA MET 30 HA MET 30 -3.241 -9.508 -13.659 207 2HB MET 30 2HB MET 30 -4.272 -11.003 -11.208 208 2HG MET 30 2HG MET 30 -3.533 -12.138 -13.867 209 1HE MET 30 1HE MET 30 -0.177 -12.770 -13.456 210 2HE MET 30 2HE MET 30 -1.046 -14.162 -14.146 211 3HE MET 30 3HE MET 30 -1.633 -12.509 -14.449 212 H GLU 31 H GLU 31 -6.571 -9.447 -12.533 213 HA GLU 31 HA GLU 31 -7.496 -11.409 -14.344 214 2HB GLU 31 2HB GLU 31 -9.682 -9.777 -13.665 215 2HG GLU 31 2HG GLU 31 -10.109 -11.543 -11.935 216 HE2 GLU 31 HE GLU 31 -8.871 -13.593 -15.084 217 H ASN 32 H ASN 32 -5.883 -9.827 -15.887 218 HA ASN 32 HA ASN 32 -5.758 -8.441 -17.571 219 2HB ASN 32 2HB ASN 32 -7.858 -8.681 -19.193 220 1HD2 ASN 32 1HD2 ASN 32 -8.193 -11.613 -19.354 221 2HD2 ASN 32 2HD2 ASN 32 -6.682 -12.258 -19.903 222 H ILE 33 H ILE 33 -6.848 -7.209 -15.138 223 HA ILE 33 HA ILE 33 -9.160 -5.776 -15.452 224 HB ILE 33 HB ILE 33 -7.112 -5.964 -13.613 225 2HG1 ILE 33 2HG1 ILE 33 -9.419 -5.870 -13.004 226 1HG2 ILE 33 1HG2 ILE 33 -6.255 -3.826 -13.138 227 2HG2 ILE 33 2HG2 ILE 33 -6.029 -4.045 -14.889 228 3HG2 ILE 33 3HG2 ILE 33 -7.362 -3.031 -14.283 229 1HD1 ILE 33 1HD1 ILE 33 -7.681 -4.841 -11.414 230 2HD1 ILE 33 2HD1 ILE 33 -8.230 -3.253 -12.000 231 3HD1 ILE 33 3HD1 ILE 33 -9.367 -4.332 -11.159 232 H GLU 34 H GLU 34 -6.012 -5.361 -17.008 233 HA GLU 34 HA GLU 34 -6.493 -2.700 -17.800 234 2HB GLU 34 2HB GLU 34 -4.648 -3.936 -19.598 235 2HG GLU 34 2HG GLU 34 -4.741 -1.708 -17.981 236 HE2 GLU 34 HE GLU 34 -4.971 -2.594 -15.780 237 H LYS 35 H LYS 35 -8.862 -3.530 -18.438 238 HA LYS 35 HA LYS 35 -8.884 -3.509 -21.305 239 2HB LYS 35 2HB LYS 35 -10.629 -5.646 -20.766 240 2HG LYS 35 2HG LYS 35 -8.169 -5.071 -22.314 241 2HD LYS 35 2HD LYS 35 -8.881 -7.987 -21.795 242 2HE LYS 35 2HE LYS 35 -7.411 -6.719 -23.830 243 1HZ LYS 35 1HZ LYS 35 -5.196 -6.954 -23.338 244 2HZ LYS 35 2HZ LYS 35 -5.698 -6.635 -21.821 245 H SER 36 H SER 36 -9.643 -1.830 -18.950 246 HA SER 36 HA SER 36 -11.253 -0.325 -18.759 247 2HB SER 36 2HB SER 36 -13.345 -2.036 -20.112 248 HG SER 36 HG SER 36 -14.264 -0.096 -20.551 249 H ARG 37 H ARG 37 -11.094 -0.872 -16.494 250 HA ARG 37 HA ARG 37 -13.396 -2.397 -15.609 251 2HB ARG 37 2HB ARG 37 -11.654 -3.047 -13.629 252 2HG ARG 37 2HG ARG 37 -11.053 -5.117 -15.149 253 2HD ARG 37 2HD ARG 37 -13.222 -4.528 -13.537 254 HE ARG 37 HE ARG 37 -15.073 -4.296 -14.926 255 1HH1 ARG 37 2HH2 ARG 37 -12.712 -6.345 -16.594 256 2HH1 ARG 37 1HH2 ARG 37 -13.721 -6.595 -17.980 257 2HH2 ARG 37 1HH ARG 37 -15.889 -5.574 -18.051 258 H ASN 38 H ASN 38 -10.540 -0.706 -14.099 259 HA ASN 38 HA ASN 38 -10.400 0.848 -12.592 260 2HB ASN 38 2HB ASN 38 -11.987 2.832 -12.811 261 1HD2 ASN 38 1HD2 ASN 38 -10.859 4.293 -13.828 262 2HD2 ASN 38 2HD2 ASN 38 -9.962 4.099 -15.296 263 H THR 39 H THR 39 -11.426 -1.384 -11.435 264 HA THR 39 HA THR 39 -13.991 -0.887 -10.219 265 HB THR 39 HB THR 39 -11.857 -3.060 -9.870 266 HG1 THR 39 1HG THR 39 -12.905 -3.776 -11.683 267 1HG2 THR 39 1HG2 THR 39 -13.254 -4.132 -8.393 268 2HG2 THR 39 2HG2 THR 39 -14.007 -2.537 -8.150 269 3HG2 THR 39 3HG2 THR 39 -14.703 -3.680 -9.324 270 H LEU 40 H LEU 40 -11.075 -1.962 -8.437 271 HA LEU 40 HA LEU 40 -11.721 -0.766 -6.096 272 2HB LEU 40 2HB LEU 40 -9.814 -2.382 -6.778 273 HG LEU 40 HG LEU 40 -8.610 0.138 -7.550 274 1HD1 LEU 40 1HD1 LEU 40 -6.426 -0.274 -6.341 275 2HD1 LEU 40 2HD1 LEU 40 -7.752 0.393 -5.359 276 3HD1 LEU 40 3HD1 LEU 40 -7.336 -1.333 -5.237 277 1HD2 LEU 40 1HD2 LEU 40 -7.965 -2.787 -7.739 278 2HD2 LEU 40 2HD2 LEU 40 -8.293 -1.604 -9.029 279 3HD2 LEU 40 3HD2 LEU 40 -6.736 -1.572 -8.165 280 H ASP 41 H ASP 41 -10.573 0.745 -9.058 281 HA ASP 41 HA ASP 41 -9.644 3.090 -7.817 282 2HB ASP 41 2HB ASP 41 -10.701 2.805 -10.663 283 HD2 ASP 41 HD ASP 41 -10.240 5.501 -11.345 284 H PHE 42 H PHE 42 -12.613 2.224 -9.754 285 HA PHE 42 HA PHE 42 -13.955 4.571 -9.642 286 2HB PHE 42 2HB PHE 42 -14.709 1.618 -9.489 287 HD1 PHE 42 1HD PHE 42 -16.379 1.664 -7.689 288 HD2 PHE 42 2HD PHE 42 -16.793 4.107 -11.133 289 HE1 PHE 42 1HE PHE 42 -18.795 2.048 -7.126 290 HE2 PHE 42 2HE PHE 42 -19.209 4.491 -10.571 291 HZ PHE 42 HZ PHE 42 -20.181 3.456 -8.574 292 H VAL 43 H VAL 43 -13.569 2.133 -7.043 293 HA VAL 43 HA VAL 43 -15.481 3.460 -5.355 294 HB VAL 43 HB VAL 43 -14.311 0.919 -5.551 295 1HG1 VAL 43 1HG1 VAL 43 -13.538 2.297 -2.958 296 2HG1 VAL 43 2HG1 VAL 43 -13.517 0.536 -3.216 297 3HG1 VAL 43 3HG1 VAL 43 -12.443 1.588 -4.169 298 1HG2 VAL 43 1HG2 VAL 43 -16.254 0.398 -4.580 299 2HG2 VAL 43 2HG2 VAL 43 -15.825 1.290 -3.100 300 3HG2 VAL 43 3HG2 VAL 43 -16.586 2.144 -4.464 301 H LYS 44 H LYS 44 -11.931 3.301 -5.820 302 HA LYS 44 HA LYS 44 -11.085 4.453 -3.493 303 2HB LYS 44 2HB LYS 44 -9.902 3.621 -5.779 304 2HG LYS 44 2HG LYS 44 -10.549 5.972 -6.752 305 2HD LYS 44 2HD LYS 44 -7.990 6.869 -5.435 306 2HE LYS 44 2HE LYS 44 -10.385 8.080 -6.797 307 1HZ LYS 44 1HZ LYS 44 -8.860 10.039 -5.411 308 2HZ LYS 44 2HZ LYS 44 -10.477 9.840 -5.424 309 H SER 45 H SER 45 -12.548 5.995 -6.389 310 HA SER 45 HA SER 45 -12.011 8.595 -5.748 311 2HB SER 45 2HB SER 45 -14.518 7.455 -7.063 312 HG SER 45 HG SER 45 -14.111 9.943 -6.386 313 H LEU 46 H LEU 46 -14.006 6.283 -4.102 314 HA LEU 46 HA LEU 46 -16.101 7.635 -3.102 315 2HB LEU 46 2HB LEU 46 -15.450 6.320 -0.910 316 HG LEU 46 HG LEU 46 -16.277 5.138 -3.549 317 1HD1 LEU 46 1HD1 LEU 46 -15.283 3.213 -2.874 318 2HD1 LEU 46 2HD1 LEU 46 -15.310 3.664 -1.152 319 3HD1 LEU 46 3HD1 LEU 46 -16.791 3.065 -1.939 320 1HD2 LEU 46 1HD2 LEU 46 -17.622 5.715 -0.911 321 2HD2 LEU 46 2HD2 LEU 46 -18.028 6.317 -2.537 322 3HD2 LEU 46 3HD2 LEU 46 -18.336 4.615 -2.116 323 H LYS 47 H LYS 47 -12.651 8.130 -2.338 324 HA LYS 47 HA LYS 47 -11.738 10.047 -1.577 325 2HB LYS 47 2HB LYS 47 -14.278 11.028 -0.319 326 2HG LYS 47 2HG LYS 47 -12.230 12.522 -1.994 327 2HD LYS 47 2HD LYS 47 -14.459 13.562 -1.232 328 2HE LYS 47 2HE LYS 47 -13.118 13.789 1.476 329 1HZ LYS 47 1HZ LYS 47 -15.845 14.149 0.393 330 2HZ LYS 47 2HZ LYS 47 -15.604 13.979 1.994 331 H SER 48 H SER 48 -10.728 8.277 -0.331 332 HA SER 48 HA SER 48 -11.642 8.375 2.439 333 2HB SER 48 2HB SER 48 -9.999 6.077 2.080 334 HG SER 48 HG SER 48 -12.134 6.540 3.332 335 HA PRO 49 HA PRO 49 -7.611 10.162 2.771 336 2HB PRO 49 2HB PRO 49 -8.400 12.070 3.791 337 2HG PRO 49 2HG PRO 49 -10.565 11.921 4.571 338 2HD PRO 49 2HD PRO 49 -11.376 10.254 3.210 339 H VAL 50 H VAL 50 -5.610 9.757 3.792 340 HA VAL 50 HA VAL 50 -5.693 7.860 5.959 341 HB VAL 50 HB VAL 50 -4.497 7.129 3.278 342 1HG1 VAL 50 1HG1 VAL 50 -3.054 6.266 4.962 343 2HG1 VAL 50 2HG1 VAL 50 -4.424 5.753 5.977 344 3HG1 VAL 50 3HG1 VAL 50 -4.086 4.910 4.445 345 1HG2 VAL 50 1HG2 VAL 50 -6.856 6.817 3.142 346 2HG2 VAL 50 2HG2 VAL 50 -6.146 5.212 3.437 347 3HG2 VAL 50 3HG2 VAL 50 -6.926 6.099 4.769 348 H ARG 51 H ARG 51 -3.443 7.466 6.816 349 HA ARG 51 HA ARG 51 -1.413 9.166 5.818 350 2HB ARG 51 2HB ARG 51 -2.641 9.787 8.554 351 2HG ARG 51 2HG ARG 51 -0.124 10.719 7.140 352 2HD ARG 51 2HD ARG 51 -1.784 12.263 9.188 353 HE ARG 51 HE ARG 51 1.073 12.191 8.931 354 1HH1 ARG 51 2HH2 ARG 51 -1.577 14.529 9.181 355 2HH1 ARG 51 1HH2 ARG 51 -0.590 15.759 9.898 356 2HH2 ARG 51 1HH ARG 51 1.730 15.315 10.299 357 H ILE 52 H ILE 52 0.620 8.362 6.462 358 HA ILE 52 HA ILE 52 0.831 6.776 8.848 359 HB ILE 52 HB ILE 52 1.929 5.051 6.957 360 2HG1 ILE 52 2HG1 ILE 52 0.543 6.282 5.253 361 1HG2 ILE 52 1HG2 ILE 52 0.165 3.508 7.750 362 2HG2 ILE 52 2HG2 ILE 52 0.975 4.379 9.074 363 3HG2 ILE 52 3HG2 ILE 52 -0.648 4.880 8.542 364 1HD1 ILE 52 1HD1 ILE 52 1.226 3.782 5.163 365 2HD1 ILE 52 2HD1 ILE 52 -0.446 3.438 5.662 366 3HD1 ILE 52 3HD1 ILE 52 -0.133 4.289 4.131 367 H LEU 53 H LEU 53 3.037 6.480 9.492 368 HA LEU 53 HA LEU 53 4.809 8.329 8.085 369 2HB LEU 53 2HB LEU 53 4.441 7.460 10.887 370 HG LEU 53 HG LEU 53 7.161 8.065 9.735 371 1HD1 LEU 53 1HD1 LEU 53 6.736 9.810 11.376 372 2HD1 LEU 53 2HD1 LEU 53 6.254 8.590 12.579 373 3HD1 LEU 53 3HD1 LEU 53 7.934 8.647 11.993 374 1HD2 LEU 53 1HD2 LEU 53 7.243 5.842 10.101 375 2HD2 LEU 53 2HD2 LEU 53 7.550 6.341 11.781 376 3HD2 LEU 53 3HD2 LEU 53 5.908 5.872 11.278 377 H CYS 54 H CYS 54 6.943 7.713 7.465 378 HA CYS 54 HA CYS 54 7.181 4.815 7.152 379 2HB CYS 54 2HB CYS 54 8.659 6.909 5.539 380 HG CYS 54 HG CYS 54 9.611 4.356 5.835 381 H ARG 55 H ARG 55 8.999 3.775 8.021 382 HA ARG 55 HA ARG 55 10.872 5.559 9.360 383 2HB ARG 55 2HB ARG 55 11.237 3.475 10.894 384 2HG ARG 55 2HG ARG 55 8.547 4.053 11.633 385 2HD ARG 55 2HD ARG 55 9.914 5.873 13.058 386 HE ARG 55 HE ARG 55 9.487 3.054 13.390 387 1HH1 ARG 55 2HH2 ARG 55 11.471 5.683 14.697 388 2HH1 ARG 55 1HH2 ARG 55 11.660 4.937 16.248 389 2HH2 ARG 55 1HH ARG 55 10.632 2.811 16.661 390 H ARG 56 H ARG 56 12.915 3.805 10.023 391 HA ARG 56 HA ARG 56 14.314 3.597 7.710 392 2HB ARG 56 2HB ARG 56 15.329 3.528 9.979 393 2HG ARG 56 2HG ARG 56 14.394 0.628 10.103 394 2HD ARG 56 2HD ARG 56 16.264 2.282 11.628 395 HE ARG 56 HE ARG 56 14.565 0.930 13.569 396 1HH1 ARG 56 2HH2 ARG 56 15.032 3.991 11.849 397 2HH1 ARG 56 1HH2 ARG 56 14.221 4.935 13.053 398 2HH2 ARG 56 1HH ARG 56 13.324 3.845 14.991 399 H GLY 57 H GLY 57 14.384 2.118 6.023 400 1HA GLY 57 1HA GLY 57 12.444 0.242 5.574 401 2HA GLY 57 2HA GLY 57 14.032 0.240 4.833 402 H ASP 58 H ASP 58 15.469 -0.064 7.461 403 HA ASP 58 HA ASP 58 15.673 -2.793 7.456 404 2HB ASP 58 2HB ASP 58 16.237 -1.364 10.030 405 HD2 ASP 58 HD ASP 58 17.883 -3.601 10.800 406 H THR 59 H THR 59 13.388 -0.610 9.011 407 HA THR 59 HA THR 59 12.367 -2.826 10.662 408 HB THR 59 HB THR 59 13.199 -0.263 11.417 409 HG1 THR 59 1HG THR 59 11.797 -0.968 13.329 410 1HG2 THR 59 1HG2 THR 59 10.187 -0.292 11.739 411 2HG2 THR 59 2HG2 THR 59 11.314 1.080 11.866 412 3HG2 THR 59 3HG2 THR 59 10.880 0.428 10.267 413 H LEU 60 H LEU 60 11.963 -1.693 7.678 414 HA LEU 60 HA LEU 60 9.389 -0.815 7.422 415 2HB LEU 60 2HB LEU 60 10.519 -2.805 5.493 416 HG LEU 60 HG LEU 60 8.419 -1.533 4.945 417 1HD1 LEU 60 1HD1 LEU 60 10.088 0.703 5.741 418 2HD1 LEU 60 2HD1 LEU 60 9.424 0.930 4.106 419 3HD1 LEU 60 3HD1 LEU 60 8.330 0.623 5.476 420 1HD2 LEU 60 1HD2 LEU 60 10.881 -1.692 3.330 421 2HD2 LEU 60 2HD2 LEU 60 9.229 -2.254 2.978 422 3HD2 LEU 60 3HD2 LEU 60 9.658 -0.545 2.732 423 H ASP 61 H ASP 61 10.605 -4.166 7.906 424 HA ASP 61 HA ASP 61 8.281 -5.496 7.410 425 2HB ASP 61 2HB ASP 61 10.469 -6.578 7.865 426 HD2 ASP 61 HD ASP 61 9.339 -6.463 11.287 427 H GLU 62 H GLU 62 9.564 -4.096 10.516 428 HA GLU 62 HA GLU 62 7.262 -4.825 11.969 429 2HB GLU 62 2HB GLU 62 8.942 -2.596 13.006 430 2HG GLU 62 2HG GLU 62 9.118 -4.958 14.579 431 HE2 GLU 62 HE GLU 62 9.565 -2.263 14.975 432 H ILE 63 H ILE 63 8.430 -1.844 10.325 433 HA ILE 63 HA ILE 63 6.542 -0.079 11.303 434 HB ILE 63 HB ILE 63 8.651 -0.007 9.557 435 2HG1 ILE 63 2HG1 ILE 63 8.003 2.462 9.360 436 1HG2 ILE 63 1HG2 ILE 63 6.948 -0.706 7.767 437 2HG2 ILE 63 2HG2 ILE 63 6.298 0.942 7.929 438 3HG2 ILE 63 3HG2 ILE 63 7.988 0.697 7.429 439 1HD1 ILE 63 1HD1 ILE 63 6.113 3.268 10.471 440 2HD1 ILE 63 2HD1 ILE 63 5.475 1.748 9.799 441 3HD1 ILE 63 3HD1 ILE 63 5.978 1.825 11.504 442 H ILE 64 H ILE 64 6.293 -2.673 8.892 443 HA ILE 64 HA ILE 64 3.945 -1.805 7.652 444 HB ILE 64 HB ILE 64 5.247 -4.490 8.027 445 2HG1 ILE 64 2HG1 ILE 64 5.998 -2.439 6.458 446 1HG2 ILE 64 1HG2 ILE 64 2.769 -4.761 7.890 447 2HG2 ILE 64 2HG2 ILE 64 2.814 -3.948 6.307 448 3HG2 ILE 64 3HG2 ILE 64 3.662 -5.496 6.537 449 1HD1 ILE 64 1HD1 ILE 64 7.514 -4.013 5.881 450 2HD1 ILE 64 2HD1 ILE 64 6.471 -5.255 6.614 451 3HD1 ILE 64 3HD1 ILE 64 6.297 -4.851 4.889 452 H LYS 65 H LYS 65 4.523 -3.910 10.539 453 HA LYS 65 HA LYS 65 1.827 -4.472 10.996 454 2HB LYS 65 2HB LYS 65 3.424 -4.370 13.422 455 2HG LYS 65 2HG LYS 65 2.735 -6.870 11.875 456 2HD LYS 65 2HD LYS 65 2.401 -6.053 14.800 457 2HE LYS 65 2HE LYS 65 1.221 -8.177 13.364 458 1HZ LYS 65 1HZ LYS 65 3.571 -9.115 14.921 459 2HZ LYS 65 2HZ LYS 65 2.369 -10.089 14.416 460 H ARG 66 H ARG 66 3.930 -1.717 11.894 461 HA ARG 66 HA ARG 66 2.043 -0.639 13.676 462 2HB ARG 66 2HB ARG 66 3.524 1.487 13.318 463 2HG ARG 66 2HG ARG 66 5.613 -0.208 14.124 464 2HD ARG 66 2HD ARG 66 3.638 0.323 16.249 465 HE ARG 66 HE ARG 66 6.070 1.900 16.176 466 1HH1 ARG 66 2HH2 ARG 66 4.883 -1.402 16.668 467 2HH1 ARG 66 1HH2 ARG 66 6.237 -1.877 17.638 468 2HH2 ARG 66 1HH ARG 66 7.973 -0.287 18.089 469 H LEU 67 H LEU 67 2.737 -0.365 10.184 470 HA LEU 67 HA LEU 67 1.267 1.973 9.702 471 2HB LEU 67 2HB LEU 67 1.199 0.971 7.338 472 HG LEU 67 HG LEU 67 3.789 1.512 8.788 473 1HD1 LEU 67 1HD1 LEU 67 4.708 1.679 6.354 474 2HD1 LEU 67 2HD1 LEU 67 4.626 0.097 7.165 475 3HD1 LEU 67 3HD1 LEU 67 3.386 0.551 5.972 476 1HD2 LEU 67 1HD2 LEU 67 3.678 3.469 7.056 477 2HD2 LEU 67 2HD2 LEU 67 1.947 3.061 6.998 478 3HD2 LEU 67 3HD2 LEU 67 2.701 3.527 8.542 479 H LEU 68 H LEU 68 0.390 -1.540 9.457 480 HA LEU 68 HA LEU 68 -2.167 -1.268 8.568 481 2HB LEU 68 2HB LEU 68 -0.655 -3.325 9.203 482 HG LEU 68 HG LEU 68 -0.984 -2.983 11.704 483 1HD1 LEU 68 1HD1 LEU 68 -3.062 -2.590 12.396 484 2HD1 LEU 68 2HD1 LEU 68 -3.768 -3.157 10.863 485 3HD1 LEU 68 3HD1 LEU 68 -3.370 -4.325 12.145 486 1HD2 LEU 68 1HD2 LEU 68 -1.264 -5.392 12.139 487 2HD2 LEU 68 2HD2 LEU 68 -1.816 -5.619 10.462 488 3HD2 LEU 68 3HD2 LEU 68 -0.154 -5.069 10.786 489 H GLU 69 H GLU 69 -0.959 -1.015 11.967 490 HA GLU 69 HA GLU 69 -3.451 -0.694 13.109 491 2HB GLU 69 2HB GLU 69 -2.233 0.170 15.057 492 2HG GLU 69 2HG GLU 69 -0.097 -1.557 14.676 493 HE2 GLU 69 HE GLU 69 -2.161 -2.002 17.389 494 H GLU 70 H GLU 70 -1.526 1.451 11.135 495 HA GLU 70 HA GLU 70 -2.951 3.767 12.108 496 2HB GLU 70 2HB GLU 70 -1.453 4.971 10.418 497 2HG GLU 70 2HG GLU 70 0.675 3.788 11.863 498 HE2 GLU 70 HE GLU 70 0.538 6.594 13.913 499 H SER 71 H SER 71 -2.603 1.687 9.192 500 HA SER 71 HA SER 71 -4.536 3.292 7.802 501 2HB SER 71 2HB SER 71 -4.166 1.356 6.053 502 HG SER 71 HG SER 71 -2.431 2.482 5.230 503 H ASN 72 H ASN 72 -4.173 -0.265 8.522 504 HA ASN 72 HA ASN 72 -6.563 -1.155 7.907 505 2HB ASN 72 2HB ASN 72 -5.649 -1.946 10.669 506 1HD2 ASN 72 1HD2 ASN 72 -4.591 -4.395 9.650 507 2HD2 ASN 72 2HD2 ASN 72 -5.903 -5.353 9.046 508 H LYS 73 H LYS 73 -5.716 0.941 10.679 509 HA LYS 73 HA LYS 73 -7.985 0.634 12.228 510 2HB LYS 73 2HB LYS 73 -7.043 3.364 12.259 511 2HG LYS 73 2HG LYS 73 -5.938 2.018 14.426 512 2HD LYS 73 2HD LYS 73 -7.703 3.992 14.180 513 2HE LYS 73 2HE LYS 73 -9.716 2.253 15.394 514 1HZ LYS 73 1HZ LYS 73 -9.580 4.282 13.269 515 2HZ LYS 73 2HZ LYS 73 -10.925 3.370 13.382 516 H GLU 74 H GLU 74 -7.326 2.956 9.521 517 HA GLU 74 HA GLU 74 -10.152 3.600 9.568 518 2HB GLU 74 2HB GLU 74 -8.693 5.534 9.574 519 2HG GLU 74 2HG GLU 74 -7.435 5.502 7.039 520 HE2 GLU 74 HE GLU 74 -5.228 6.758 7.985 521 H GLY 75 H GLY 75 -8.477 1.136 8.378 522 1HA GLY 75 1HA GLY 75 -9.866 1.176 5.766 523 2HA GLY 75 2HA GLY 75 -8.248 0.538 5.973 524 H ILE 76 H ILE 76 -9.453 -1.427 5.000 525 HA ILE 76 HA ILE 76 -11.051 -2.835 6.978 526 HB ILE 76 HB ILE 76 -10.530 -3.108 4.048 527 2HG1 ILE 76 2HG1 ILE 76 -13.000 -3.216 3.987 528 1HG2 ILE 76 1HG2 ILE 76 -11.683 -5.315 5.776 529 2HG2 ILE 76 2HG2 ILE 76 -11.595 -5.294 3.998 530 3HG2 ILE 76 3HG2 ILE 76 -10.100 -5.347 4.963 531 1HD1 ILE 76 1HD1 ILE 76 -14.302 -3.357 5.855 532 2HD1 ILE 76 2HD1 ILE 76 -12.824 -3.938 6.658 533 3HD1 ILE 76 3HD1 ILE 76 -13.276 -2.219 6.762 534 H HIS 77 H HIS 77 -10.535 -5.203 7.366 535 HA HIS 77 HA HIS 77 -8.050 -5.431 8.496 536 2HB HIS 77 2HB HIS 77 -9.203 -7.981 7.617 537 HD1 HIS 77 1HD HIS 77 -10.608 -7.706 10.744 538 HD2 HIS 77 2HD HIS 77 -6.605 -7.653 9.492 539 HE1 HIS 77 1HE HIS 77 -9.213 -8.354 12.780 540 H VAL 78 H VAL 78 -6.256 -4.928 7.250 541 HA VAL 78 HA VAL 78 -5.704 -6.838 5.107 542 HB VAL 78 HB VAL 78 -6.093 -3.940 4.875 543 1HG1 VAL 78 1HG1 VAL 78 -3.582 -5.225 3.760 544 2HG1 VAL 78 2HG1 VAL 78 -4.267 -3.696 3.158 545 3HG1 VAL 78 3HG1 VAL 78 -3.700 -3.817 4.841 546 1HG2 VAL 78 1HG2 VAL 78 -7.169 -5.986 3.621 547 2HG2 VAL 78 2HG2 VAL 78 -6.841 -4.468 2.752 548 3HG2 VAL 78 3HG2 VAL 78 -5.729 -5.848 2.584 549 H ILE 79 H ILE 79 -3.498 -7.403 4.917 550 HA ILE 79 HA ILE 79 -1.765 -6.186 6.951 551 HB ILE 79 HB ILE 79 -0.808 -8.375 7.391 552 2HG1 ILE 79 2HG1 ILE 79 -1.686 -9.186 4.998 553 1HG2 ILE 79 1HG2 ILE 79 -3.443 -7.500 8.112 554 2HG2 ILE 79 2HG2 ILE 79 -3.411 -9.278 8.032 555 3HG2 ILE 79 3HG2 ILE 79 -2.253 -8.413 9.071 556 1HD1 ILE 79 1HD1 ILE 79 -0.155 -10.652 5.912 557 2HD1 ILE 79 2HD1 ILE 79 -0.923 -10.614 7.518 558 3HD1 ILE 79 3HD1 ILE 79 -1.626 -11.608 6.219 559 H HIS 80 H HIS 80 -1.733 -5.000 4.561 560 HA HIS 80 HA HIS 80 0.142 -6.368 2.847 561 2HB HIS 80 2HB HIS 80 -0.119 -4.116 1.563 562 HD1 HIS 80 1HD HIS 80 -0.722 -7.285 1.312 563 HD2 HIS 80 2HD HIS 80 -3.442 -4.145 0.734 564 HE1 HIS 80 1HE HIS 80 -2.569 -8.207 -0.187 565 H ASP 81 H ASP 81 2.073 -4.985 2.004 566 HA ASP 81 HA ASP 81 3.327 -3.874 4.381 567 2HB ASP 81 2HB ASP 81 5.475 -4.311 3.153 568 HD2 ASP 81 HD ASP 81 5.715 -7.707 3.100 569 H SER 82 H SER 82 4.965 -2.021 3.849 570 HA SER 82 HA SER 82 3.627 0.020 2.581 571 2HB SER 82 2HB SER 82 6.577 -0.294 3.281 572 HG SER 82 HG SER 82 6.897 1.672 2.513 573 H ILE 83 H ILE 83 5.939 -2.411 1.392 574 HA ILE 83 HA ILE 83 6.557 -1.055 -1.022 575 HB ILE 83 HB ILE 83 6.772 -4.000 -0.406 576 2HG1 ILE 83 2HG1 ILE 83 7.828 -2.859 1.414 577 1HG2 ILE 83 1HG2 ILE 83 8.911 -2.949 -1.983 578 2HG2 ILE 83 2HG2 ILE 83 7.702 -4.183 -2.409 579 3HG2 ILE 83 3HG2 ILE 83 7.366 -2.463 -2.720 580 1HD1 ILE 83 1HD1 ILE 83 9.928 -3.838 1.267 581 2HD1 ILE 83 2HD1 ILE 83 9.135 -4.649 -0.105 582 3HD1 ILE 83 3HD1 ILE 83 10.201 -3.253 -0.392 583 H THR 84 H THR 84 4.047 -3.370 0.054 584 HA THR 84 HA THR 84 3.051 -3.731 -2.623 585 HB THR 84 HB THR 84 2.584 -4.779 0.135 586 HG1 THR 84 1HG THR 84 3.620 -6.041 -1.491 587 1HG2 THR 84 1HG2 THR 84 0.384 -4.789 -2.000 588 2HG2 THR 84 2HG2 THR 84 0.373 -5.735 -0.493 589 3HG2 THR 84 3HG2 THR 84 0.274 -3.959 -0.429 590 H LEU 85 H LEU 85 2.479 -1.557 0.112 591 HA LEU 85 HA LEU 85 -0.078 -0.713 -0.641 592 2HB LEU 85 2HB LEU 85 0.929 1.445 0.607 593 HG LEU 85 HG LEU 85 -0.872 0.244 1.622 594 1HD1 LEU 85 1HD1 LEU 85 -0.888 -1.939 2.284 595 2HD1 LEU 85 2HD1 LEU 85 0.309 -2.038 0.971 596 3HD1 LEU 85 3HD1 LEU 85 0.851 -1.961 2.664 597 1HD2 LEU 85 1HD2 LEU 85 0.532 -0.222 3.985 598 2HD2 LEU 85 2HD2 LEU 85 1.483 1.021 3.135 599 3HD2 LEU 85 3HD2 LEU 85 -0.242 1.298 3.475 600 H ALA 86 H ALA 86 3.228 0.332 -1.607 601 HA ALA 86 HA ALA 86 2.400 2.572 -3.075 602 1HB ALA 86 1HB ALA 86 4.758 1.439 -4.217 603 2HB ALA 86 2HB ALA 86 4.634 2.792 -3.067 604 3HB ALA 86 3HB ALA 86 4.815 1.126 -2.465 605 H PHE 87 H PHE 87 2.879 -0.904 -3.925 606 HA PHE 87 HA PHE 87 2.349 -0.498 -6.674 607 2HB PHE 87 2HB PHE 87 1.792 -3.097 -5.217 608 HD1 PHE 87 1HD PHE 87 0.884 -3.642 -7.491 609 HD2 PHE 87 2HD PHE 87 4.960 -2.637 -6.874 610 HE1 PHE 87 1HE PHE 87 1.470 -4.656 -9.711 611 HE2 PHE 87 2HE PHE 87 5.546 -3.651 -9.093 612 HZ PHE 87 HZ PHE 87 3.794 -4.650 -10.485 613 H LEU 88 H LEU 88 0.391 -1.796 -3.903 614 HA LEU 88 HA LEU 88 -1.899 -2.303 -5.397 615 2HB LEU 88 2HB LEU 88 -2.882 -1.788 -2.939 616 HG LEU 88 HG LEU 88 -3.044 -4.001 -3.840 617 1HD1 LEU 88 1HD1 LEU 88 -1.226 -4.634 -5.018 618 2HD1 LEU 88 2HD1 LEU 88 -0.085 -3.842 -3.905 619 3HD1 LEU 88 3HD1 LEU 88 -0.783 -5.426 -3.487 620 1HD2 LEU 88 1HD2 LEU 88 -1.818 -5.232 -1.724 621 2HD2 LEU 88 2HD2 LEU 88 -1.985 -3.561 -1.134 622 3HD2 LEU 88 3HD2 LEU 88 -3.421 -4.459 -1.680 623 H ILE 89 H ILE 89 -0.884 0.627 -3.524 624 HA ILE 89 HA ILE 89 -3.206 2.084 -4.091 625 HB ILE 89 HB ILE 89 -0.408 2.904 -3.325 626 2HG1 ILE 89 2HG1 ILE 89 -1.846 1.495 -1.753 627 1HG2 ILE 89 1HG2 ILE 89 -2.873 4.571 -3.786 628 2HG2 ILE 89 2HG2 ILE 89 -1.623 5.065 -2.618 629 3HG2 ILE 89 3HG2 ILE 89 -1.202 4.847 -4.334 630 1HD1 ILE 89 1HD1 ILE 89 -0.974 2.608 0.117 631 2HD1 ILE 89 2HD1 ILE 89 0.056 3.251 -1.184 632 3HD1 ILE 89 3HD1 ILE 89 -1.302 4.220 -0.563 633 H ARG 90 H ARG 90 0.038 1.962 -5.701 634 HA ARG 90 HA ARG 90 -0.171 3.859 -7.501 635 2HB ARG 90 2HB ARG 90 0.727 1.719 -9.092 636 2HG ARG 90 2HG ARG 90 2.462 3.030 -6.968 637 2HD ARG 90 2HD ARG 90 3.210 1.331 -8.902 638 HE ARG 90 HE ARG 90 2.263 3.457 -10.483 639 1HH1 ARG 90 2HH2 ARG 90 5.328 1.725 -10.082 640 2HH1 ARG 90 1HH2 ARG 90 5.838 1.997 -11.716 641 2HH2 ARG 90 1HH ARG 90 4.416 3.231 -13.199 642 H GLU 91 H GLU 91 -2.010 0.789 -7.485 643 HA GLU 91 HA GLU 91 -2.996 1.063 -10.096 644 2HB GLU 91 2HB GLU 91 -4.850 -0.484 -8.641 645 2HG GLU 91 2HG GLU 91 -2.827 -2.250 -9.448 646 HE2 GLU 91 HE GLU 91 -4.413 -2.108 -12.572 647 H LYS 92 H LYS 92 -4.232 1.957 -6.824 648 HA LYS 92 HA LYS 92 -6.613 3.096 -8.015 649 2HB LYS 92 2HB LYS 92 -6.375 1.747 -5.768 650 2HG LYS 92 2HG LYS 92 -6.374 4.398 -4.442 651 2HD LYS 92 2HD LYS 92 -4.663 2.949 -3.008 652 2HE LYS 92 2HE LYS 92 -7.646 2.837 -3.233 653 1HZ LYS 92 1HZ LYS 92 -6.416 1.071 -1.245 654 2HZ LYS 92 2HZ LYS 92 -7.898 0.984 -1.915 655 H ALA 93 H ALA 93 -3.439 4.003 -7.837 656 HA ALA 93 HA ALA 93 -3.979 6.674 -8.441 657 1HB ALA 93 1HB ALA 93 -3.093 6.107 -5.588 658 2HB ALA 93 2HB ALA 93 -2.901 7.691 -6.379 659 3HB ALA 93 3HB ALA 93 -4.527 7.014 -6.124 660 H SER 94 H SER 94 -2.620 5.781 -10.166 661 HA SER 94 HA SER 94 0.016 4.981 -9.460 662 2HB SER 94 2HB SER 94 -1.343 4.108 -11.440 663 HG SER 94 HG SER 94 -2.005 6.213 -12.270 664 H HIS 95 H HIS 95 -1.420 7.918 -9.309 665 HA HIS 95 HA HIS 95 0.627 9.411 -10.702 666 2HB HIS 95 2HB HIS 95 -0.753 11.365 -9.710 667 HD1 HIS 95 1HD HIS 95 -1.699 12.536 -11.705 668 HD2 HIS 95 2HD HIS 95 -2.110 8.371 -11.977 669 HE1 HIS 95 1HE HIS 95 -2.697 12.065 -14.005 670 H ARG 96 H ARG 96 -0.806 10.020 -7.441 671 HA ARG 96 HA ARG 96 1.902 10.464 -6.529 672 2HB ARG 96 2HB ARG 96 0.946 11.809 -4.774 673 2HG ARG 96 2HG ARG 96 -1.235 12.632 -6.491 674 2HD ARG 96 2HD ARG 96 0.255 14.121 -5.112 675 HE ARG 96 HE ARG 96 2.525 13.635 -5.421 676 1HH1 ARG 96 2HH2 ARG 96 0.972 13.901 -8.595 677 2HH1 ARG 96 1HH2 ARG 96 2.463 13.808 -9.471 678 2HH2 ARG 96 1HH ARG 96 4.521 13.580 -8.263 679 H ILE 97 H ILE 97 2.816 8.576 -5.735 680 HA ILE 97 HA ILE 97 1.114 6.951 -3.975 681 HB ILE 97 HB ILE 97 3.515 5.907 -5.441 682 2HG1 ILE 97 2HG1 ILE 97 1.057 6.827 -6.656 683 1HG2 ILE 97 1HG2 ILE 97 1.606 3.926 -5.241 684 2HG2 ILE 97 2HG2 ILE 97 2.995 4.161 -4.153 685 3HG2 ILE 97 3HG2 ILE 97 1.404 4.834 -3.723 686 1HD1 ILE 97 1HD1 ILE 97 2.374 5.922 -8.712 687 2HD1 ILE 97 2HD1 ILE 97 3.109 7.249 -7.780 688 3HD1 ILE 97 3HD1 ILE 97 3.677 5.578 -7.550 689 H VAL 98 H VAL 98 2.596 5.619 -2.376 690 HA VAL 98 HA VAL 98 4.288 7.623 -1.103 691 HB VAL 98 HB VAL 98 2.617 6.805 0.324 692 1HG1 VAL 98 1HG1 VAL 98 3.208 4.165 -0.950 693 2HG1 VAL 98 2HG1 VAL 98 2.619 4.172 0.729 694 3HG1 VAL 98 3HG1 VAL 98 1.648 4.926 -0.558 695 1HG2 VAL 98 1HG2 VAL 98 5.247 6.567 0.977 696 2HG2 VAL 98 2HG2 VAL 98 3.903 6.306 2.115 697 3HG2 VAL 98 3HG2 VAL 98 4.672 4.915 1.312 698 H HIS 99 H HIS 99 6.453 7.157 -0.435 699 HA HIS 99 HA HIS 99 7.619 4.973 -1.994 700 2HB HIS 99 2HB HIS 99 9.427 7.033 -0.920 701 HD1 HIS 99 1HD HIS 99 11.171 7.692 -2.857 702 HD2 HIS 99 2HD HIS 99 8.540 4.550 -3.751 703 HE1 HIS 99 1HE HIS 99 12.150 6.496 -4.886 704 H ARG 100 H ARG 100 10.105 4.783 -0.693 705 HA ARG 100 HA ARG 100 9.565 4.450 2.089 706 2HB ARG 100 2HB ARG 100 8.682 2.319 1.213 707 2HG ARG 100 2HG ARG 100 10.757 2.598 -0.705 708 2HD ARG 100 2HD ARG 100 11.207 0.290 1.228 709 HE ARG 100 HE ARG 100 11.061 -0.238 -1.429 710 1HH1 ARG 100 2HH2 ARG 100 13.895 0.205 0.651 711 2HH1 ARG 100 1HH2 ARG 100 14.907 -0.835 -0.293 712 2HH2 ARG 100 1HH ARG 100 14.004 -1.893 -2.246 713 H VAL 101 H VAL 101 11.379 5.517 2.845 714 HA VAL 101 HA VAL 101 13.919 4.933 1.495 715 HB VAL 101 HB VAL 101 13.392 7.233 1.355 716 1HG1 VAL 101 1HG1 VAL 101 11.633 7.458 2.968 717 2HG1 VAL 101 2HG1 VAL 101 12.738 7.083 4.313 718 3HG1 VAL 101 3HG1 VAL 101 12.918 8.607 3.413 719 1HG2 VAL 101 1HG2 VAL 101 15.728 6.646 2.018 720 2HG2 VAL 101 2HG2 VAL 101 15.228 8.279 2.524 721 3HG2 VAL 101 3HG2 VAL 101 15.283 6.955 3.714 722 H VAL 102 H VAL 102 15.797 4.470 2.791 723 HA VAL 102 HA VAL 102 15.153 3.734 5.558 724 HB VAL 102 HB VAL 102 15.095 1.751 4.120 725 1HG1 VAL 102 1HG1 VAL 102 17.995 1.702 3.600 726 2HG1 VAL 102 2HG1 VAL 102 16.630 1.231 2.558 727 3HG1 VAL 102 3HG1 VAL 102 17.106 2.942 2.685 728 1HG2 VAL 102 1HG2 VAL 102 17.643 1.340 5.593 729 2HG2 VAL 102 2HG2 VAL 102 16.279 1.985 6.537 730 3HG2 VAL 102 3HG2 VAL 102 16.110 0.439 5.672 731 H LYS 103 H LYS 103 16.105 5.741 6.237 732 HA LYS 103 HA LYS 103 18.825 5.561 6.788 733 2HB LYS 103 2HB LYS 103 18.375 7.731 4.751 734 2HG LYS 103 2HG LYS 103 20.590 6.603 6.328 735 2HD LYS 103 2HD LYS 103 20.701 5.740 3.715 736 2HE LYS 103 2HE LYS 103 22.715 7.880 3.504 737 1HZ LYS 103 1HZ LYS 103 22.144 6.448 1.663 738 2HZ LYS 103 2HZ LYS 103 20.568 6.856 1.725 739 H SER 104 H SER 104 15.951 7.634 6.201 740 HA SER 104 HA SER 104 16.494 8.812 8.800 741 2HB SER 104 2HB SER 104 15.317 10.550 6.634 742 HG SER 104 HG SER 104 16.141 12.186 7.898 743 H ASP 105 H ASP 105 14.329 10.234 9.375 744 HA ASP 105 HA ASP 105 12.237 8.288 9.183 745 2HB ASP 105 2HB ASP 105 11.660 10.905 10.474 746 HD2 ASP 105 HD ASP 105 9.739 7.888 11.402 747 H PHE 106 H PHE 106 10.311 8.582 7.966 748 HA PHE 106 HA PHE 106 9.915 11.204 6.740 749 2HB PHE 106 2HB PHE 106 9.232 8.867 5.042 750 HD1 PHE 106 1HD PHE 106 12.168 11.174 5.143 751 HD2 PHE 106 2HD PHE 106 8.590 10.043 3.160 752 HE1 PHE 106 1HE PHE 106 12.645 12.841 3.328 753 HE2 PHE 106 2HE PHE 106 9.068 11.710 1.346 754 HZ PHE 106 HZ PHE 106 11.089 13.090 1.452 755 H GLU 107 H GLU 107 7.656 11.117 5.488 756 HA GLU 107 HA GLU 107 5.808 9.315 6.706 757 2HB GLU 107 2HB GLU 107 4.375 11.103 7.682 758 2HG GLU 107 2HG GLU 107 7.226 11.312 8.750 759 HE2 GLU 107 HE GLU 107 3.696 12.098 9.789 760 H ILE 108 H ILE 108 3.813 9.197 5.530 761 HA ILE 108 HA ILE 108 3.524 11.061 3.311 762 HB ILE 108 HB ILE 108 3.224 8.161 2.703 763 2HG1 ILE 108 2HG1 ILE 108 5.859 9.586 3.047 764 1HG2 ILE 108 1HG2 ILE 108 2.663 9.159 0.787 765 2HG2 ILE 108 2HG2 ILE 108 3.379 10.713 1.277 766 3HG2 ILE 108 3HG2 ILE 108 4.407 9.443 0.572 767 1HD1 ILE 108 1HD1 ILE 108 6.106 8.048 4.686 768 2HD1 ILE 108 2HD1 ILE 108 4.457 7.458 4.366 769 3HD1 ILE 108 3HD1 ILE 108 5.842 6.739 3.510 770 H GLY 109 H GLY 109 1.360 11.353 2.650 771 1HA GLY 109 1HA GLY 109 -0.707 9.677 3.798 772 2HA GLY 109 2HA GLY 109 -0.622 11.298 4.458 773 H VAL 110 H VAL 110 -2.920 10.498 3.093 774 HA VAL 110 HA VAL 110 -2.883 12.387 0.913 775 HB VAL 110 HB VAL 110 -2.454 9.705 0.348 776 1HG1 VAL 110 1HG1 VAL 110 -4.409 8.793 -0.627 777 2HG1 VAL 110 2HG1 VAL 110 -4.910 9.388 0.973 778 3HG1 VAL 110 3HG1 VAL 110 -5.296 10.330 -0.486 779 1HG2 VAL 110 1HG2 VAL 110 -2.468 10.386 -1.894 780 2HG2 VAL 110 2HG2 VAL 110 -3.740 11.600 -1.619 781 3HG2 VAL 110 3HG2 VAL 110 -2.094 11.880 -1.002 782 H THR 111 H THR 111 -5.261 12.551 0.014 783 HA THR 111 HA THR 111 -7.065 12.229 2.324 784 HB THR 111 HB THR 111 -8.174 14.313 1.173 785 HG1 THR 111 1HG THR 111 -6.543 13.764 -0.694 786 1HG2 THR 111 1HG2 THR 111 -6.999 14.764 3.236 787 2HG2 THR 111 2HG2 THR 111 -5.423 14.388 2.500 788 3HG2 THR 111 3HG2 THR 111 -6.289 15.874 2.040 789 H ARG 112 H ARG 112 -6.483 11.697 -1.113 790 HA ARG 112 HA ARG 112 -8.786 10.005 -1.110 791 2HB ARG 112 2HB ARG 112 -10.143 11.262 -2.446 792 2HG ARG 112 2HG ARG 112 -7.947 13.305 -1.914 793 2HD ARG 112 2HD ARG 112 -9.630 13.561 -4.059 794 HE ARG 112 HE ARG 112 -11.251 14.237 -1.690 795 1HH1 ARG 112 2HH2 ARG 112 -10.798 14.700 -5.173 796 2HH1 ARG 112 1HH2 ARG 112 -12.432 15.209 -5.443 797 2HH2 ARG 112 1HH ARG 112 -13.947 15.324 -3.590 798 H ASP 113 H ASP 113 -6.081 11.544 -2.955 799 HA ASP 113 HA ASP 113 -4.651 9.395 -3.472 800 2HB ASP 113 2HB ASP 113 -7.120 9.260 -5.035 801 HD2 ASP 113 HD ASP 113 -6.235 9.288 -8.329 802 H GLY 114 H GLY 114 -6.142 12.395 -4.539 803 1HA GLY 114 1HA GLY 114 -4.262 13.013 -6.623 804 2HA GLY 114 2HA GLY 114 -5.470 14.069 -5.916 805 H GLU 115 H GLU 115 -5.014 14.922 -3.641 806 HA GLU 115 HA GLU 115 -2.312 15.837 -3.628 807 2HB GLU 115 2HB GLU 115 -3.928 17.506 -3.118 808 2HG GLU 115 2HG GLU 115 -5.222 16.739 -0.739 809 HE2 GLU 115 HE GLU 115 -7.286 15.370 -2.322 810 H ILE 116 H ILE 116 -0.720 15.433 -2.023 811 HA ILE 116 HA ILE 116 -1.446 13.442 -0.005 812 HB ILE 116 HB ILE 116 0.046 11.910 -0.653 813 2HG1 ILE 116 2HG1 ILE 116 2.231 12.334 -1.633 814 1HG2 ILE 116 1HG2 ILE 116 -0.094 11.489 -2.916 815 2HG2 ILE 116 2HG2 ILE 116 -1.429 12.644 -2.679 816 3HG2 ILE 116 3HG2 ILE 116 0.119 13.200 -3.361 817 1HD1 ILE 116 1HD1 ILE 116 1.210 15.201 -1.799 818 2HD1 ILE 116 2HD1 ILE 116 2.938 14.779 -1.871 819 3HD1 ILE 116 3HD1 ILE 116 1.825 14.186 -3.127 820 H ILE 117 H ILE 117 0.493 13.254 1.636 821 HA ILE 117 HA ILE 117 1.712 15.898 1.950 822 HB ILE 117 HB ILE 117 1.222 15.745 4.383 823 2HG1 ILE 117 2HG1 ILE 117 -0.205 13.279 3.484 824 1HG2 ILE 117 1HG2 ILE 117 -1.153 15.902 2.507 825 2HG2 ILE 117 2HG2 ILE 117 -1.116 16.504 4.181 826 3HG2 ILE 117 3HG2 ILE 117 -0.053 17.228 2.952 827 1HD1 ILE 117 1HD1 ILE 117 1.977 13.470 4.909 828 2HD1 ILE 117 2HD1 ILE 117 0.895 13.994 6.221 829 3HD1 ILE 117 3HD1 ILE 117 0.691 12.385 5.490 830 H VAL 118 H VAL 118 3.803 15.887 2.814 831 HA VAL 118 HA VAL 118 4.863 13.233 3.469 832 HB VAL 118 HB VAL 118 5.411 13.796 1.149 833 1HG1 VAL 118 1HG1 VAL 118 6.727 15.693 0.533 834 2HG1 VAL 118 2HG1 VAL 118 5.368 16.299 1.509 835 3HG1 VAL 118 3HG1 VAL 118 6.987 16.148 2.234 836 1HG2 VAL 118 1HG2 VAL 118 6.987 12.542 2.718 837 2HG2 VAL 118 2HG2 VAL 118 7.711 13.248 1.253 838 3HG2 VAL 118 3HG2 VAL 118 7.917 14.055 2.825 839 H ASP 119 H ASP 119 6.819 13.320 4.847 840 HA ASP 119 HA ASP 119 7.498 15.833 5.970 841 2HB ASP 119 2HB ASP 119 6.534 13.869 8.032 842 HD2 ASP 119 HD ASP 119 6.819 16.409 10.217 843 H LEU 120 H LEU 120 9.278 15.469 7.707 844 HA LEU 120 HA LEU 120 10.693 12.980 7.075 845 2HB LEU 120 2HB LEU 120 11.485 15.626 6.882 846 HG LEU 120 HG LEU 120 11.917 15.271 9.503 847 1HD1 LEU 120 1HD1 LEU 120 13.481 13.248 8.549 848 2HD1 LEU 120 2HD1 LEU 120 14.661 14.572 8.698 849 3HD1 LEU 120 3HD1 LEU 120 13.706 14.067 10.113 850 1HD2 LEU 120 1HD2 LEU 120 14.216 16.540 8.128 851 2HD2 LEU 120 2HD2 LEU 120 12.599 17.129 7.673 852 3HD2 LEU 120 3HD2 LEU 120 13.118 17.178 9.376 853 H ASN 121 H ASN 121 8.506 13.920 9.233 854 HA ASN 121 HA ASN 121 8.147 13.680 11.382 855 2HB ASN 121 2HB ASN 121 9.732 11.119 10.816 856 1HD2 ASN 121 1HD2 ASN 121 6.746 12.018 12.509 857 2HD2 ASN 121 2HD2 ASN 121 7.136 11.316 14.044 858 H SER 122 H SER 122 10.388 15.368 11.033 859 HA SER 122 HA SER 122 12.619 14.408 12.460 860 2HB SER 122 2HB SER 122 13.358 16.121 11.144 861 HG SER 122 HG SER 122 10.819 17.468 11.528 Start of MODEL 12 1 H MET 1 H MET 1 10.127 -14.776 -15.402 2 HA MET 1 HA MET 1 9.150 -17.069 -13.978 3 2HB MET 1 2HB MET 1 10.822 -16.132 -12.218 4 2HG MET 1 2HG MET 1 11.311 -17.748 -14.310 5 1HE MET 1 1HE MET 1 14.570 -17.320 -15.399 6 2HE MET 1 2HE MET 1 14.899 -15.578 -15.570 7 3HE MET 1 3HE MET 1 14.472 -16.252 -13.979 8 H ARG 2 H ARG 2 9.751 -13.698 -12.781 9 HA ARG 2 HA ARG 2 7.023 -13.721 -11.790 10 2HB ARG 2 2HB ARG 2 9.064 -12.420 -10.028 11 2HG ARG 2 2HG ARG 2 6.484 -13.946 -9.783 12 2HD ARG 2 2HD ARG 2 8.487 -13.655 -7.491 13 HE ARG 2 HE ARG 2 5.778 -13.712 -7.232 14 1HH1 ARG 2 2HH2 ARG 2 8.201 -16.230 -6.643 15 2HH1 ARG 2 1HH2 ARG 2 7.267 -17.014 -5.413 16 2HH2 ARG 2 1HH ARG 2 5.122 -16.126 -4.821 17 H GLU 3 H GLU 3 6.165 -11.499 -11.356 18 HA GLU 3 HA GLU 3 7.640 -9.545 -12.941 19 2HB GLU 3 2HB GLU 3 4.740 -9.105 -12.357 20 2HG GLU 3 2HG GLU 3 6.360 -7.741 -13.907 21 HE2 GLU 3 HE GLU 3 7.972 -8.832 -16.149 22 H ARG 4 H ARG 4 7.832 -7.366 -12.150 23 HA ARG 4 HA ARG 4 8.347 -7.137 -9.512 24 2HB ARG 4 2HB ARG 4 9.026 -5.530 -11.352 25 2HG ARG 4 2HG ARG 4 6.582 -3.885 -10.900 26 2HD ARG 4 2HD ARG 4 7.306 -4.377 -13.667 27 HE ARG 4 HE ARG 4 6.546 -2.177 -13.216 28 1HH1 ARG 4 2HH2 ARG 4 9.495 -2.866 -11.375 29 2HH1 ARG 4 1HH2 ARG 4 9.751 -1.212 -10.928 30 2HH2 ARG 4 1HH ARG 4 8.203 0.459 -11.676 31 H GLY 5 H GLY 5 7.233 -5.985 -7.728 32 1HA GLY 5 1HA GLY 5 5.315 -4.940 -6.836 33 2HA GLY 5 2HA GLY 5 4.329 -5.662 -8.093 34 H TRP 6 H TRP 6 5.166 -5.857 -4.839 35 HA TRP 6 HA TRP 6 5.110 -7.462 -3.279 36 2HB TRP 6 2HB TRP 6 2.944 -7.658 -2.938 37 HD1 TRP 6 HD TRP 6 1.988 -5.268 -3.753 38 HE1 TRP 6 1HE TRP 6 0.569 -4.410 -5.805 39 HE3 TRP 6 3HE TRP 6 2.605 -9.438 -6.597 40 HZ2 TRP 6 2HZ TRP 6 -0.120 -5.545 -8.332 41 HZ3 TRP 6 3HZ TRP 6 1.527 -9.482 -8.843 42 HH2 TRP 6 HH TRP 6 0.202 -7.624 -9.722 43 H SER 7 H SER 7 6.963 -8.056 -5.381 44 HA SER 7 HA SER 7 6.489 -10.752 -6.177 45 2HB SER 7 2HB SER 7 9.245 -9.882 -6.523 46 HG SER 7 HG SER 7 8.810 -10.820 -8.389 47 H GLN 8 H GLN 8 6.238 -11.623 -3.930 48 HA GLN 8 HA GLN 8 6.963 -12.374 -1.988 49 2HB GLN 8 2HB GLN 8 9.113 -13.895 -2.388 50 2HG GLN 8 2HG GLN 8 7.628 -15.510 -3.702 51 1HE2 GLN 8 1HE2 GLN 8 5.205 -15.985 -2.695 52 2HE2 GLN 8 2HE2 GLN 8 5.208 -16.028 -0.963 53 H LYS 9 H LYS 9 7.495 -9.886 -1.576 54 HA LYS 9 HA LYS 9 10.273 -9.257 -1.439 55 2HB LYS 9 2HB LYS 9 8.346 -7.658 0.136 56 2HG LYS 9 2HG LYS 9 10.729 -7.003 -0.524 57 2HD LYS 9 2HD LYS 9 9.709 -6.190 -3.214 58 2HE LYS 9 2HE LYS 9 12.345 -7.467 -2.354 59 1HZ LYS 9 1HZ LYS 9 12.964 -7.019 -4.463 60 2HZ LYS 9 2HZ LYS 9 11.387 -6.843 -4.831 61 H LYS 10 H LYS 10 7.870 -9.189 1.269 62 HA LYS 10 HA LYS 10 9.749 -10.815 2.816 63 2HB LYS 10 2HB LYS 10 8.531 -8.189 3.725 64 2HG LYS 10 2HG LYS 10 9.721 -10.506 5.160 65 2HD LYS 10 2HD LYS 10 10.495 -7.717 6.081 66 2HE LYS 10 2HE LYS 10 10.928 -10.527 6.955 67 1HZ LYS 10 1HZ LYS 10 13.160 -8.571 6.900 68 2HZ LYS 10 2HZ LYS 10 13.152 -9.888 7.855 69 H ILE 11 H ILE 11 6.887 -9.110 4.077 70 HA ILE 11 HA ILE 11 5.749 -11.622 4.825 71 HB ILE 11 HB ILE 11 4.538 -8.869 5.052 72 2HG1 ILE 11 2HG1 ILE 11 6.758 -8.728 5.984 73 1HG2 ILE 11 1HG2 ILE 11 3.539 -9.969 7.130 74 2HG2 ILE 11 2HG2 ILE 11 2.899 -10.474 5.548 75 3HG2 ILE 11 3HG2 ILE 11 4.050 -11.517 6.416 76 1HD1 ILE 11 1HD1 ILE 11 6.182 -7.941 8.110 77 2HD1 ILE 11 2HD1 ILE 11 4.584 -7.988 7.327 78 3HD1 ILE 11 3HD1 ILE 11 5.077 -9.301 8.425 79 H ALA 12 H ALA 12 6.007 -10.249 1.874 80 HA ALA 12 HA ALA 12 3.629 -9.861 0.730 81 1HB ALA 12 1HB ALA 12 6.054 -11.424 -0.198 82 2HB ALA 12 2HB ALA 12 4.659 -11.147 -1.268 83 3HB ALA 12 3HB ALA 12 5.570 -9.763 -0.618 84 H ARG 13 H ARG 13 4.901 -12.961 1.978 85 HA ARG 13 HA ARG 13 3.110 -14.629 0.761 86 2HB ARG 13 2HB ARG 13 3.766 -15.295 3.594 87 2HG ARG 13 2HG ARG 13 5.079 -16.905 1.570 88 2HD ARG 13 2HD ARG 13 2.530 -17.799 2.880 89 HE ARG 13 HE ARG 13 4.940 -19.023 1.937 90 1HH1 ARG 13 2HH2 ARG 13 2.663 -19.268 4.640 91 2HH1 ARG 13 1HH2 ARG 13 2.981 -20.948 4.917 92 2HH2 ARG 13 1HH ARG 13 4.571 -22.086 3.533 93 H GLU 14 H GLU 14 2.940 -13.150 4.089 94 HA GLU 14 HA GLU 14 0.398 -14.105 4.627 95 2HB GLU 14 2HB GLU 14 1.062 -11.524 5.904 96 2HG GLU 14 2HG GLU 14 0.428 -14.370 6.713 97 HE2 GLU 14 HE GLU 14 2.034 -11.914 9.458 98 H LEU 15 H LEU 15 1.527 -11.485 2.604 99 HA LEU 15 HA LEU 15 -0.901 -9.979 2.726 100 2HB LEU 15 2HB LEU 15 0.267 -8.999 0.569 101 HG LEU 15 HG LEU 15 0.086 -7.853 2.824 102 1HD1 LEU 15 1HD1 LEU 15 1.512 -8.226 4.510 103 2HD1 LEU 15 2HD1 LEU 15 1.864 -9.755 3.669 104 3HD1 LEU 15 3HD1 LEU 15 2.921 -8.342 3.429 105 1HD2 LEU 15 1HD2 LEU 15 2.406 -6.571 2.269 106 2HD2 LEU 15 2HD2 LEU 15 2.144 -7.445 0.741 107 3HD2 LEU 15 3HD2 LEU 15 0.891 -6.343 1.362 108 H LYS 16 H LYS 16 0.562 -12.478 0.596 109 HA LYS 16 HA LYS 16 -1.421 -12.305 -1.391 110 2HB LYS 16 2HB LYS 16 0.772 -14.195 -0.661 111 2HG LYS 16 2HG LYS 16 -0.156 -15.406 -2.887 112 2HD LYS 16 2HD LYS 16 -1.097 -15.975 -0.036 113 2HE LYS 16 2HE LYS 16 -0.748 -18.196 -1.992 114 1HZ LYS 16 1HZ LYS 16 -2.119 -19.156 -0.499 115 2HZ LYS 16 2HZ LYS 16 -1.902 -17.856 0.457 116 H THR 17 H THR 17 -1.188 -13.962 1.749 117 HA THR 17 HA THR 17 -3.393 -15.701 1.275 118 HB THR 17 HB THR 17 -1.761 -14.783 3.681 119 HG1 THR 17 1HG THR 17 -0.780 -16.404 2.420 120 1HG2 THR 17 1HG2 THR 17 -2.991 -16.887 4.726 121 2HG2 THR 17 2HG2 THR 17 -3.782 -15.295 4.819 122 3HG2 THR 17 3HG2 THR 17 -4.287 -16.469 3.580 123 H THR 18 H THR 18 -3.032 -12.336 2.287 124 HA THR 18 HA THR 18 -5.739 -12.222 3.297 125 HB THR 18 HB THR 18 -3.570 -10.923 4.078 126 HG1 THR 18 1HG THR 18 -5.525 -10.292 5.006 127 1HG2 THR 18 1HG2 THR 18 -3.919 -9.838 1.430 128 2HG2 THR 18 2HG2 THR 18 -4.403 -8.581 2.593 129 3HG2 THR 18 3HG2 THR 18 -2.776 -9.299 2.683 130 H ARG 19 H ARG 19 -6.136 -9.474 2.156 131 HA ARG 19 HA ARG 19 -6.696 -8.503 0.234 132 2HB ARG 19 2HB ARG 19 -5.360 -10.514 -0.942 133 2HG ARG 19 2HG ARG 19 -8.084 -11.082 -2.088 134 2HD ARG 19 2HD ARG 19 -5.431 -12.536 -1.770 135 HE ARG 19 HE ARG 19 -7.790 -13.918 -1.501 136 1HH1 ARG 19 2HH2 ARG 19 -5.436 -13.727 -4.142 137 2HH1 ARG 19 1HH2 ARG 19 -5.765 -15.329 -4.717 138 2HH2 ARG 19 1HH ARG 19 -7.408 -16.664 -3.593 139 H GLN 20 H GLN 20 -8.073 -11.435 1.600 140 HA GLN 20 HA GLN 20 -10.117 -12.290 1.565 141 2HB GLN 20 2HB GLN 20 -10.838 -9.411 2.265 142 2HG GLN 20 2HG GLN 20 -12.334 -11.872 2.266 143 1HE2 GLN 20 1HE2 GLN 20 -13.833 -12.436 4.060 144 2HE2 GLN 20 2HE2 GLN 20 -13.179 -12.637 5.651 145 H ASN 21 H ASN 21 -9.510 -11.896 -1.089 146 HA ASN 21 HA ASN 21 -10.257 -11.322 -3.077 147 2HB ASN 21 2HB ASN 21 -12.938 -11.944 -3.123 148 1HD2 ASN 21 1HD2 ASN 21 -13.048 -14.669 -2.691 149 2HD2 ASN 21 2HD2 ASN 21 -11.892 -15.486 -3.689 150 H VAL 22 H VAL 22 -10.330 -9.068 -1.150 151 HA VAL 22 HA VAL 22 -12.677 -7.621 -2.170 152 HB VAL 22 HB VAL 22 -11.307 -7.671 0.488 153 1HG1 VAL 22 1HG1 VAL 22 -11.079 -5.359 0.027 154 2HG1 VAL 22 2HG1 VAL 22 -12.682 -5.270 -0.742 155 3HG1 VAL 22 3HG1 VAL 22 -12.550 -5.505 1.019 156 1HG2 VAL 22 1HG2 VAL 22 -14.010 -7.137 0.812 157 2HG2 VAL 22 2HG2 VAL 22 -13.966 -8.199 -0.616 158 3HG2 VAL 22 3HG2 VAL 22 -13.233 -8.735 0.914 159 H SER 23 H SER 23 -9.460 -8.128 -2.699 160 HA SER 23 HA SER 23 -9.214 -5.493 -3.822 161 2HB SER 23 2HB SER 23 -7.283 -6.621 -1.759 162 HG SER 23 HG SER 23 -6.207 -4.415 -2.402 163 H ALA 24 H ALA 24 -6.572 -7.828 -3.113 164 HA ALA 24 HA ALA 24 -5.178 -8.877 -4.495 165 1HB ALA 24 1HB ALA 24 -6.513 -10.344 -6.224 166 2HB ALA 24 2HB ALA 24 -6.712 -10.637 -4.480 167 3HB ALA 24 3HB ALA 24 -7.941 -9.710 -5.372 168 H ILE 25 H ILE 25 -4.818 -6.394 -5.149 169 HA ILE 25 HA ILE 25 -5.703 -5.615 -7.704 170 HB ILE 25 HB ILE 25 -3.465 -4.700 -5.908 171 2HG1 ILE 25 2HG1 ILE 25 -5.842 -4.351 -5.187 172 1HG2 ILE 25 1HG2 ILE 25 -2.536 -3.839 -7.765 173 2HG2 ILE 25 2HG2 ILE 25 -4.027 -4.005 -8.722 174 3HG2 ILE 25 3HG2 ILE 25 -3.827 -2.623 -7.618 175 1HD1 ILE 25 1HD1 ILE 25 -3.815 -2.208 -5.665 176 2HD1 ILE 25 2HD1 ILE 25 -5.460 -1.654 -5.266 177 3HD1 ILE 25 3HD1 ILE 25 -4.586 -2.727 -4.147 178 H GLU 26 H GLU 26 -3.274 -7.853 -6.582 179 HA GLU 26 HA GLU 26 -1.621 -7.628 -8.860 180 2HB GLU 26 2HB GLU 26 -0.534 -8.492 -6.956 181 2HG GLU 26 2HG GLU 26 -3.147 -9.777 -6.481 182 HE2 GLU 26 HE GLU 26 -2.754 -12.516 -5.179 183 H ARG 27 H ARG 27 -4.390 -9.691 -7.863 184 HA ARG 27 HA ARG 27 -4.130 -11.444 -10.029 185 2HB ARG 27 2HB ARG 27 -6.554 -12.045 -9.394 186 2HG ARG 27 2HG ARG 27 -5.917 -12.829 -7.060 187 2HD ARG 27 2HD ARG 27 -3.457 -13.618 -8.316 188 HE ARG 27 HE ARG 27 -5.823 -14.863 -7.366 189 1HH1 ARG 27 2HH2 ARG 27 -3.443 -15.357 -9.944 190 2HH1 ARG 27 1HH2 ARG 27 -3.668 -17.074 -9.992 191 2HH2 ARG 27 1HH ARG 27 -5.246 -18.094 -8.504 192 H LYS 28 H LYS 28 -6.410 -8.696 -9.309 193 HA LYS 28 HA LYS 28 -7.769 -8.772 -11.721 194 2HB LYS 28 2HB LYS 28 -8.350 -6.394 -11.161 195 2HG LYS 28 2HG LYS 28 -9.159 -7.109 -8.713 196 2HD LYS 28 2HD LYS 28 -10.041 -7.847 -11.442 197 2HE LYS 28 2HE LYS 28 -11.902 -9.247 -9.899 198 1HZ LYS 28 1HZ LYS 28 -9.620 -10.426 -11.389 199 2HZ LYS 28 2HZ LYS 28 -11.061 -11.134 -11.119 200 H ALA 29 H ALA 29 -4.942 -6.707 -10.748 201 HA ALA 29 HA ALA 29 -4.575 -5.381 -13.093 202 1HB ALA 29 1HB ALA 29 -2.551 -6.502 -11.119 203 2HB ALA 29 2HB ALA 29 -2.148 -5.329 -12.395 204 3HB ALA 29 3HB ALA 29 -3.293 -4.885 -11.107 205 H MET 30 H MET 30 -2.857 -8.461 -12.184 206 HA MET 30 HA MET 30 -1.789 -8.868 -14.678 207 2HB MET 30 2HB MET 30 -2.672 -11.208 -12.955 208 2HG MET 30 2HG MET 30 0.192 -10.838 -13.552 209 1HE MET 30 1HE MET 30 1.196 -12.943 -12.788 210 2HE MET 30 2HE MET 30 -0.132 -12.706 -11.626 211 3HE MET 30 3HE MET 30 0.189 -14.325 -12.292 212 H GLU 31 H GLU 31 -5.081 -9.118 -13.639 213 HA GLU 31 HA GLU 31 -5.781 -11.111 -15.562 214 2HB GLU 31 2HB GLU 31 -8.129 -9.800 -14.680 215 2HG GLU 31 2HG GLU 31 -8.274 -11.824 -13.140 216 HE2 GLU 31 HE GLU 31 -8.655 -13.896 -14.134 217 H ASN 32 H ASN 32 -4.408 -9.134 -16.915 218 HA ASN 32 HA ASN 32 -4.502 -7.632 -18.489 219 2HB ASN 32 2HB ASN 32 -6.680 -7.941 -20.035 220 1HD2 ASN 32 1HD2 ASN 32 -6.338 -9.221 -21.833 221 2HD2 ASN 32 2HD2 ASN 32 -4.880 -10.120 -22.098 222 H ILE 33 H ILE 33 -5.592 -6.739 -15.929 223 HA ILE 33 HA ILE 33 -8.069 -5.516 -16.101 224 HB ILE 33 HB ILE 33 -6.054 -5.793 -14.236 225 2HG1 ILE 33 2HG1 ILE 33 -8.342 -5.972 -13.651 226 1HG2 ILE 33 1HG2 ILE 33 -5.575 -3.566 -13.386 227 2HG2 ILE 33 2HG2 ILE 33 -4.969 -3.743 -15.051 228 3HG2 ILE 33 3HG2 ILE 33 -6.468 -2.834 -14.740 229 1HD1 ILE 33 1HD1 ILE 33 -7.330 -3.377 -12.403 230 2HD1 ILE 33 2HD1 ILE 33 -8.547 -4.480 -11.717 231 3HD1 ILE 33 3HD1 ILE 33 -6.853 -5.007 -11.869 232 H GLU 34 H GLU 34 -8.516 -3.118 -16.212 233 HA GLU 34 HA GLU 34 -6.649 -1.481 -17.516 234 2HB GLU 34 2HB GLU 34 -8.670 -1.434 -19.495 235 2HG GLU 34 2HG GLU 34 -6.565 -2.908 -20.583 236 HE2 GLU 34 HE GLU 34 -7.276 -0.800 -22.522 237 H LYS 35 H LYS 35 -10.242 -2.078 -17.412 238 HA LYS 35 HA LYS 35 -10.855 -0.220 -15.526 239 2HB LYS 35 2HB LYS 35 -11.660 1.355 -17.804 240 2HG LYS 35 2HG LYS 35 -10.020 1.730 -15.276 241 2HD LYS 35 2HD LYS 35 -10.468 3.701 -17.555 242 2HE LYS 35 2HE LYS 35 -9.232 4.672 -15.023 243 1HZ LYS 35 1HZ LYS 35 -9.665 6.492 -16.251 244 2HZ LYS 35 2HZ LYS 35 -10.627 5.694 -17.295 245 H SER 36 H SER 36 -12.146 -2.213 -15.308 246 HA SER 36 HA SER 36 -14.625 -1.858 -16.741 247 2HB SER 36 2HB SER 36 -14.792 -4.318 -17.202 248 HG SER 36 HG SER 36 -12.538 -4.101 -18.614 249 H ARG 37 H ARG 37 -12.994 -4.253 -14.524 250 HA ARG 37 HA ARG 37 -15.027 -5.040 -13.068 251 2HB ARG 37 2HB ARG 37 -13.025 -4.439 -11.114 252 2HG ARG 37 2HG ARG 37 -14.322 -6.641 -11.742 253 2HD ARG 37 2HD ARG 37 -11.963 -7.776 -12.989 254 HE ARG 37 HE ARG 37 -14.856 -7.803 -13.390 255 1HH1 ARG 37 2HH2 ARG 37 -11.757 -8.732 -14.833 256 2HH1 ARG 37 1HH2 ARG 37 -12.446 -9.984 -15.812 257 2HH2 ARG 37 1HH ARG 37 -14.806 -10.391 -15.705 258 H ASN 38 H ASN 38 -12.991 -2.208 -11.993 259 HA ASN 38 HA ASN 38 -13.629 -0.239 -11.234 260 2HB ASN 38 2HB ASN 38 -16.501 -0.994 -10.699 261 1HD2 ASN 38 1HD2 ASN 38 -17.430 0.778 -10.049 262 2HD2 ASN 38 2HD2 ASN 38 -17.011 2.406 -10.466 263 H THR 39 H THR 39 -12.880 -2.740 -9.760 264 HA THR 39 HA THR 39 -14.415 -2.791 -7.338 265 HB THR 39 HB THR 39 -11.743 -4.036 -8.177 266 HG1 THR 39 1HG THR 39 -14.524 -4.945 -7.922 267 1HG2 THR 39 1HG2 THR 39 -12.603 -3.862 -5.581 268 2HG2 THR 39 2HG2 THR 39 -13.543 -5.274 -6.120 269 3HG2 THR 39 3HG2 THR 39 -11.766 -5.294 -6.226 270 H LEU 40 H LEU 40 -10.862 -2.219 -7.714 271 HA LEU 40 HA LEU 40 -10.630 -0.891 -5.305 272 2HB LEU 40 2HB LEU 40 -8.682 -1.724 -6.219 273 HG LEU 40 HG LEU 40 -8.827 -2.050 -8.487 274 1HD1 LEU 40 1HD1 LEU 40 -9.440 -0.188 -10.107 275 2HD1 LEU 40 2HD1 LEU 40 -10.739 -0.792 -9.049 276 3HD1 LEU 40 3HD1 LEU 40 -9.936 0.752 -8.678 277 1HD2 LEU 40 1HD2 LEU 40 -6.819 -1.326 -9.108 278 2HD2 LEU 40 2HD2 LEU 40 -7.359 0.369 -9.139 279 3HD2 LEU 40 3HD2 LEU 40 -6.792 -0.357 -7.615 280 H ASP 41 H ASP 41 -12.131 0.119 -8.253 281 HA ASP 41 HA ASP 41 -11.623 2.875 -7.927 282 2HB ASP 41 2HB ASP 41 -13.964 1.615 -9.416 283 HD2 ASP 41 HD ASP 41 -11.618 4.487 -10.250 284 H PHE 42 H PHE 42 -14.575 0.752 -7.570 285 HA PHE 42 HA PHE 42 -16.281 2.613 -6.527 286 2HB PHE 42 2HB PHE 42 -15.813 -0.386 -6.183 287 HD1 PHE 42 1HD PHE 42 -16.215 -1.013 -3.947 288 HD2 PHE 42 2HD PHE 42 -18.959 1.552 -5.921 289 HE1 PHE 42 1HE PHE 42 -17.835 -1.287 -2.050 290 HE2 PHE 42 2HE PHE 42 -20.580 1.278 -4.025 291 HZ PHE 42 HZ PHE 42 -19.998 -0.138 -2.112 292 H VAL 43 H VAL 43 -13.700 0.733 -4.891 293 HA VAL 43 HA VAL 43 -14.532 1.652 -2.294 294 HB VAL 43 HB VAL 43 -12.941 -0.427 -3.385 295 1HG1 VAL 43 1HG1 VAL 43 -10.990 1.036 -3.115 296 2HG1 VAL 43 2HG1 VAL 43 -11.411 1.296 -1.406 297 3HG1 VAL 43 3HG1 VAL 43 -10.935 -0.324 -1.968 298 1HG2 VAL 43 1HG2 VAL 43 -14.114 0.343 -0.754 299 2HG2 VAL 43 2HG2 VAL 43 -14.322 -1.141 -1.717 300 3HG2 VAL 43 3HG2 VAL 43 -12.847 -0.909 -0.746 301 H LYS 44 H LYS 44 -12.284 2.574 -4.882 302 HA LYS 44 HA LYS 44 -10.494 4.110 -3.491 303 2HB LYS 44 2HB LYS 44 -11.135 5.441 -5.936 304 2HG LYS 44 2HG LYS 44 -9.049 3.464 -6.223 305 2HD LYS 44 2HD LYS 44 -9.278 5.970 -7.002 306 2HE LYS 44 2HE LYS 44 -7.497 6.697 -4.750 307 1HZ LYS 44 1HZ LYS 44 -9.923 8.125 -5.613 308 2HZ LYS 44 2HZ LYS 44 -8.506 8.747 -5.107 309 H SER 45 H SER 45 -13.760 5.036 -4.750 310 HA SER 45 HA SER 45 -13.804 7.630 -4.209 311 2HB SER 45 2HB SER 45 -16.029 5.676 -3.473 312 HG SER 45 HG SER 45 -16.189 8.414 -4.404 313 H LEU 46 H LEU 46 -13.693 4.975 -1.855 314 HA LEU 46 HA LEU 46 -14.263 6.761 0.352 315 2HB LEU 46 2HB LEU 46 -13.671 4.518 1.589 316 HG LEU 46 HG LEU 46 -16.177 4.393 -0.075 317 1HD1 LEU 46 1HD1 LEU 46 -15.143 3.090 2.308 318 2HD1 LEU 46 2HD1 LEU 46 -16.732 3.839 2.597 319 3HD1 LEU 46 3HD1 LEU 46 -16.529 2.662 1.276 320 1HD2 LEU 46 1HD2 LEU 46 -16.342 6.624 0.514 321 2HD2 LEU 46 2HD2 LEU 46 -17.169 5.813 1.864 322 3HD2 LEU 46 3HD2 LEU 46 -15.498 6.391 2.063 323 H LYS 47 H LYS 47 -12.059 7.611 -1.196 324 HA LYS 47 HA LYS 47 -9.605 6.642 -0.371 325 2HB LYS 47 2HB LYS 47 -9.542 8.052 -2.206 326 2HG LYS 47 2HG LYS 47 -10.507 10.591 -1.271 327 2HD LYS 47 2HD LYS 47 -11.553 8.534 -3.266 328 2HE LYS 47 2HE LYS 47 -12.393 11.456 -2.943 329 1HZ LYS 47 1HZ LYS 47 -13.001 11.122 -5.073 330 2HZ LYS 47 2HZ LYS 47 -12.669 9.527 -5.041 331 H SER 48 H SER 48 -11.568 9.374 0.999 332 HA SER 48 HA SER 48 -11.480 10.390 2.921 333 2HB SER 48 2HB SER 48 -10.504 8.215 4.618 334 HG SER 48 HG SER 48 -12.531 8.474 5.564 335 HA PRO 49 HA PRO 49 -7.434 11.469 4.133 336 2HB PRO 49 2HB PRO 49 -8.126 13.118 5.583 337 2HG PRO 49 2HG PRO 49 -10.220 12.787 6.489 338 2HD PRO 49 2HD PRO 49 -11.148 11.425 4.886 339 H VAL 50 H VAL 50 -5.688 10.229 3.936 340 HA VAL 50 HA VAL 50 -5.413 8.211 6.050 341 HB VAL 50 HB VAL 50 -4.665 7.864 3.142 342 1HG1 VAL 50 1HG1 VAL 50 -3.803 5.842 3.681 343 2HG1 VAL 50 2HG1 VAL 50 -3.635 6.565 5.298 344 3HG1 VAL 50 3HG1 VAL 50 -5.033 5.528 4.928 345 1HG2 VAL 50 1HG2 VAL 50 -6.818 6.163 4.182 346 2HG2 VAL 50 2HG2 VAL 50 -7.247 7.890 4.133 347 3HG2 VAL 50 3HG2 VAL 50 -6.705 7.066 2.651 348 H ARG 51 H ARG 51 -3.267 7.834 6.788 349 HA ARG 51 HA ARG 51 -1.140 9.222 5.535 350 2HB ARG 51 2HB ARG 51 -2.146 10.140 8.275 351 2HG ARG 51 2HG ARG 51 0.418 10.877 6.783 352 2HD ARG 51 2HD ARG 51 -0.689 12.806 7.984 353 HE ARG 51 HE ARG 51 -0.185 11.538 10.602 354 1HH1 ARG 51 2HH2 ARG 51 -2.599 12.410 8.160 355 2HH1 ARG 51 1HH2 ARG 51 -3.932 12.311 9.263 356 2HH2 ARG 51 1HH ARG 51 -3.522 11.723 11.549 357 H ILE 52 H ILE 52 0.834 8.211 6.062 358 HA ILE 52 HA ILE 52 0.908 6.563 8.457 359 HB ILE 52 HB ILE 52 2.069 4.900 6.610 360 2HG1 ILE 52 2HG1 ILE 52 1.058 6.364 4.809 361 1HG2 ILE 52 1HG2 ILE 52 -0.785 4.790 7.622 362 2HG2 ILE 52 2HG2 ILE 52 0.204 3.422 7.059 363 3HG2 ILE 52 3HG2 ILE 52 0.657 4.296 8.542 364 1HD1 ILE 52 1HD1 ILE 52 -0.242 3.659 4.626 365 2HD1 ILE 52 2HD1 ILE 52 0.747 4.526 3.427 366 3HD1 ILE 52 3HD1 ILE 52 1.529 3.716 4.805 367 H LEU 53 H LEU 53 3.053 6.179 9.224 368 HA LEU 53 HA LEU 53 4.944 8.096 8.112 369 2HB LEU 53 2HB LEU 53 4.780 6.631 10.743 370 HG LEU 53 HG LEU 53 7.048 8.142 9.569 371 1HD1 LEU 53 1HD1 LEU 53 7.641 9.380 11.455 372 2HD1 LEU 53 2HD1 LEU 53 5.897 9.689 11.274 373 3HD1 LEU 53 3HD1 LEU 53 6.474 8.534 12.500 374 1HD2 LEU 53 1HD2 LEU 53 6.598 5.703 10.976 375 2HD2 LEU 53 2HD2 LEU 53 8.103 6.317 10.251 376 3HD2 LEU 53 3HD2 LEU 53 7.703 6.711 11.940 377 H CYS 54 H CYS 54 7.096 7.507 7.523 378 HA CYS 54 HA CYS 54 7.325 4.646 6.937 379 2HB CYS 54 2HB CYS 54 9.111 6.366 5.398 380 HG CYS 54 HG CYS 54 6.774 5.018 3.774 381 H ARG 55 H ARG 55 9.038 3.572 7.903 382 HA ARG 55 HA ARG 55 11.008 5.292 9.185 383 2HB ARG 55 2HB ARG 55 11.250 3.007 10.625 384 2HG ARG 55 2HG ARG 55 8.855 4.310 11.614 385 2HD ARG 55 2HD ARG 55 10.606 5.275 13.252 386 HE ARG 55 HE ARG 55 9.974 2.433 12.854 387 1HH1 ARG 55 2HH2 ARG 55 11.582 4.794 14.950 388 2HH1 ARG 55 1HH2 ARG 55 11.529 3.773 16.348 389 2HH2 ARG 55 1HH ARG 55 10.537 1.598 16.177 390 H ARG 56 H ARG 56 12.965 3.441 9.869 391 HA ARG 56 HA ARG 56 14.353 3.139 7.568 392 2HB ARG 56 2HB ARG 56 15.385 1.101 9.148 393 2HG ARG 56 2HG ARG 56 16.093 3.708 10.267 394 2HD ARG 56 2HD ARG 56 18.172 3.014 8.650 395 HE ARG 56 HE ARG 56 17.423 2.168 11.377 396 1HH1 ARG 56 2HH2 ARG 56 19.968 2.263 8.914 397 2HH1 ARG 56 1HH2 ARG 56 21.251 2.028 10.054 398 2HH2 ARG 56 1HH ARG 56 20.727 1.792 12.380 399 H GLY 57 H GLY 57 14.387 1.637 5.893 400 1HA GLY 57 1HA GLY 57 12.329 -0.099 5.401 401 2HA GLY 57 2HA GLY 57 13.931 -0.216 4.699 402 H ASP 58 H ASP 58 15.146 -0.540 7.513 403 HA ASP 58 HA ASP 58 15.149 -3.323 7.479 404 2HB ASP 58 2HB ASP 58 15.938 -1.530 9.816 405 HD2 ASP 58 HD ASP 58 16.907 -4.626 8.156 406 H THR 59 H THR 59 13.184 -0.848 9.070 407 HA THR 59 HA THR 59 11.967 -2.888 10.806 408 HB THR 59 HB THR 59 12.936 -0.241 11.277 409 HG1 THR 59 1HG THR 59 12.675 -1.230 13.247 410 1HG2 THR 59 1HG2 THR 59 9.940 -0.444 11.825 411 2HG2 THR 59 2HG2 THR 59 11.003 0.964 12.060 412 3HG2 THR 59 3HG2 THR 59 10.573 0.438 10.415 413 H LEU 60 H LEU 60 11.612 -1.915 7.759 414 HA LEU 60 HA LEU 60 9.087 -0.870 7.503 415 2HB LEU 60 2HB LEU 60 10.012 -2.969 5.599 416 HG LEU 60 HG LEU 60 8.082 -1.427 5.074 417 1HD1 LEU 60 1HD1 LEU 60 9.553 0.552 6.141 418 2HD1 LEU 60 2HD1 LEU 60 9.971 0.768 4.423 419 3HD1 LEU 60 3HD1 LEU 60 8.268 0.823 4.939 420 1HD2 LEU 60 1HD2 LEU 60 9.074 -2.554 3.261 421 2HD2 LEU 60 2HD2 LEU 60 8.991 -0.846 2.770 422 3HD2 LEU 60 3HD2 LEU 60 10.536 -1.540 3.318 423 H ASP 61 H ASP 61 10.125 -4.282 8.019 424 HA ASP 61 HA ASP 61 7.733 -5.493 7.601 425 2HB ASP 61 2HB ASP 61 9.887 -6.655 8.085 426 HD2 ASP 61 HD ASP 61 11.427 -5.487 9.127 427 H GLU 62 H GLU 62 9.094 -3.997 10.620 428 HA GLU 62 HA GLU 62 6.792 -4.599 12.138 429 2HB GLU 62 2HB GLU 62 8.528 -2.378 13.076 430 2HG GLU 62 2HG GLU 62 8.427 -5.027 14.447 431 HE2 GLU 62 HE GLU 62 6.862 -1.899 15.192 432 H ILE 63 H ILE 63 8.024 -1.741 10.334 433 HA ILE 63 HA ILE 63 6.140 0.090 11.263 434 HB ILE 63 HB ILE 63 8.325 0.096 9.587 435 2HG1 ILE 63 2HG1 ILE 63 7.743 2.593 9.401 436 1HG2 ILE 63 1HG2 ILE 63 7.716 0.909 7.461 437 2HG2 ILE 63 2HG2 ILE 63 6.700 -0.527 7.732 438 3HG2 ILE 63 3HG2 ILE 63 6.009 1.102 7.929 439 1HD1 ILE 63 1HD1 ILE 63 5.747 2.075 11.577 440 2HD1 ILE 63 2HD1 ILE 63 5.839 3.421 10.416 441 3HD1 ILE 63 3HD1 ILE 63 5.190 1.845 9.903 442 H ILE 64 H ILE 64 5.922 -2.602 9.001 443 HA ILE 64 HA ILE 64 3.698 -1.720 7.551 444 HB ILE 64 HB ILE 64 4.949 -4.378 8.137 445 2HG1 ILE 64 2HG1 ILE 64 5.630 -2.452 6.379 446 1HG2 ILE 64 1HG2 ILE 64 3.342 -5.435 6.587 447 2HG2 ILE 64 2HG2 ILE 64 2.580 -4.869 8.092 448 3HG2 ILE 64 3HG2 ILE 64 2.381 -3.937 6.589 449 1HD1 ILE 64 1HD1 ILE 64 6.133 -4.799 4.932 450 2HD1 ILE 64 2HD1 ILE 64 7.181 -4.099 6.189 451 3HD1 ILE 64 3HD1 ILE 64 5.998 -5.358 6.617 452 H LYS 65 H LYS 65 3.972 -3.786 10.520 453 HA LYS 65 HA LYS 65 1.216 -4.101 10.843 454 2HB LYS 65 2HB LYS 65 2.965 -5.515 11.885 455 2HG LYS 65 2HG LYS 65 3.638 -2.912 13.159 456 2HD LYS 65 2HD LYS 65 3.831 -5.459 14.820 457 2HE LYS 65 2HE LYS 65 3.788 -3.010 16.327 458 1HZ LYS 65 1HZ LYS 65 6.118 -3.796 16.781 459 2HZ LYS 65 2HZ LYS 65 4.985 -4.937 17.044 460 H ARG 66 H ARG 66 3.491 -1.508 11.748 461 HA ARG 66 HA ARG 66 1.680 -0.260 13.493 462 2HB ARG 66 2HB ARG 66 3.343 1.774 12.861 463 2HG ARG 66 2HG ARG 66 5.134 0.271 14.286 464 2HD ARG 66 2HD ARG 66 2.616 1.748 15.089 465 HE ARG 66 HE ARG 66 3.588 -0.251 16.746 466 1HH1 ARG 66 2HH2 ARG 66 3.538 3.285 16.950 467 2HH1 ARG 66 1HH2 ARG 66 3.494 3.308 18.682 468 2HH2 ARG 66 1HH ARG 66 3.488 1.234 19.883 469 H LEU 67 H LEU 67 2.396 -0.109 9.995 470 HA LEU 67 HA LEU 67 1.116 2.306 9.434 471 2HB LEU 67 2HB LEU 67 0.912 1.235 7.118 472 HG LEU 67 HG LEU 67 3.741 0.830 7.691 473 1HD1 LEU 67 1HD1 LEU 67 3.056 3.226 6.210 474 2HD1 LEU 67 2HD1 LEU 67 3.905 1.754 5.678 475 3HD1 LEU 67 3HD1 LEU 67 2.127 1.819 5.637 476 1HD2 LEU 67 1HD2 LEU 67 3.209 2.242 9.647 477 2HD2 LEU 67 2HD2 LEU 67 4.284 3.052 8.483 478 3HD2 LEU 67 3HD2 LEU 67 2.558 3.485 8.550 479 H LEU 68 H LEU 68 -0.095 -1.111 9.392 480 HA LEU 68 HA LEU 68 -2.624 -0.665 8.513 481 2HB LEU 68 2HB LEU 68 -3.007 -2.781 9.120 482 HG LEU 68 HG LEU 68 -0.114 -2.703 10.024 483 1HD1 LEU 68 1HD1 LEU 68 -2.059 -4.943 9.587 484 2HD1 LEU 68 2HD1 LEU 68 -0.331 -5.191 9.239 485 3HD1 LEU 68 3HD1 LEU 68 -0.851 -4.713 10.873 486 1HD2 LEU 68 1HD2 LEU 68 0.453 -3.433 7.782 487 2HD2 LEU 68 2HD2 LEU 68 -1.264 -3.415 7.312 488 3HD2 LEU 68 3HD2 LEU 68 -0.435 -1.892 7.718 489 H GLU 69 H GLU 69 -1.421 -0.390 11.922 490 HA GLU 69 HA GLU 69 -3.780 0.221 13.101 491 2HB GLU 69 2HB GLU 69 -2.408 1.400 14.826 492 2HG GLU 69 2HG GLU 69 -0.464 -0.625 14.555 493 HE2 GLU 69 HE GLU 69 -3.532 -1.855 16.698 494 H GLU 70 H GLU 70 -1.904 2.136 10.837 495 HA GLU 70 HA GLU 70 -3.334 4.534 11.583 496 2HB GLU 70 2HB GLU 70 -1.831 5.661 9.965 497 2HG GLU 70 2HG GLU 70 0.411 4.492 11.040 498 HE2 GLU 70 HE GLU 70 -1.611 7.264 13.159 499 H SER 71 H SER 71 -2.951 2.194 8.869 500 HA SER 71 HA SER 71 -4.918 3.625 7.343 501 2HB SER 71 2HB SER 71 -4.128 0.952 6.369 502 HG SER 71 HG SER 71 -3.303 3.343 5.093 503 H ASN 72 H ASN 72 -4.509 0.152 8.383 504 HA ASN 72 HA ASN 72 -6.894 -0.812 7.874 505 2HB ASN 72 2HB ASN 72 -6.159 -1.470 10.668 506 1HD2 ASN 72 1HD2 ASN 72 -5.696 -3.767 10.829 507 2HD2 ASN 72 2HD2 ASN 72 -6.373 -4.869 9.677 508 H LYS 73 H LYS 73 -6.066 1.597 10.362 509 HA LYS 73 HA LYS 73 -8.352 1.381 11.952 510 2HB LYS 73 2HB LYS 73 -7.347 4.088 11.814 511 2HG LYS 73 2HG LYS 73 -6.320 2.777 14.082 512 2HD LYS 73 2HD LYS 73 -7.726 4.942 13.829 513 2HE LYS 73 2HE LYS 73 -9.774 2.856 13.417 514 1HZ LYS 73 1HZ LYS 73 -10.668 5.043 15.147 515 2HZ LYS 73 2HZ LYS 73 -11.305 3.555 14.967 516 H GLU 74 H GLU 74 -7.593 3.624 9.195 517 HA GLU 74 HA GLU 74 -10.391 4.324 9.137 518 2HB GLU 74 2HB GLU 74 -8.608 6.085 8.975 519 2HG GLU 74 2HG GLU 74 -7.126 4.549 7.465 520 HE2 GLU 74 HE GLU 74 -8.835 6.498 4.645 521 H GLY 75 H GLY 75 -8.699 1.743 8.082 522 1HA GLY 75 1HA GLY 75 -10.177 1.594 5.521 523 2HA GLY 75 2HA GLY 75 -8.568 0.938 5.750 524 H ILE 76 H ILE 76 -9.938 -1.032 4.922 525 HA ILE 76 HA ILE 76 -11.444 -2.267 7.081 526 HB ILE 76 HB ILE 76 -12.340 -2.191 4.784 527 2HG1 ILE 76 2HG1 ILE 76 -11.782 -4.993 5.802 528 1HG2 ILE 76 1HG2 ILE 76 -10.475 -4.334 3.889 529 2HG2 ILE 76 2HG2 ILE 76 -11.338 -3.090 2.952 530 3HG2 ILE 76 3HG2 ILE 76 -9.877 -2.658 3.873 531 1HD1 ILE 76 1HD1 ILE 76 -13.406 -2.737 6.827 532 2HD1 ILE 76 2HD1 ILE 76 -14.327 -4.243 6.596 533 3HD1 ILE 76 3HD1 ILE 76 -12.890 -4.232 7.646 534 H HIS 77 H HIS 77 -10.967 -4.541 7.706 535 HA HIS 77 HA HIS 77 -8.448 -4.837 8.647 536 2HB HIS 77 2HB HIS 77 -9.471 -7.443 8.081 537 HD1 HIS 77 1HD HIS 77 -7.317 -6.561 10.007 538 HD2 HIS 77 2HD HIS 77 -11.359 -6.817 11.101 539 HE1 HIS 77 1HE HIS 77 -7.356 -6.802 12.547 540 H VAL 78 H VAL 78 -6.678 -4.480 7.337 541 HA VAL 78 HA VAL 78 -6.316 -6.449 5.204 542 HB VAL 78 HB VAL 78 -6.351 -3.487 5.005 543 1HG1 VAL 78 1HG1 VAL 78 -4.264 -5.229 3.680 544 2HG1 VAL 78 2HG1 VAL 78 -4.810 -3.695 2.960 545 3HG1 VAL 78 3HG1 VAL 78 -4.046 -3.702 4.568 546 1HG2 VAL 78 1HG2 VAL 78 -6.648 -5.014 2.550 547 2HG2 VAL 78 2HG2 VAL 78 -7.710 -5.639 3.834 548 3HG2 VAL 78 3HG2 VAL 78 -7.800 -3.926 3.361 549 H ILE 79 H ILE 79 -4.200 -7.232 5.016 550 HA ILE 79 HA ILE 79 -2.358 -6.185 7.052 551 HB ILE 79 HB ILE 79 -1.453 -8.439 7.223 552 2HG1 ILE 79 2HG1 ILE 79 -2.177 -9.060 4.834 553 1HG2 ILE 79 1HG2 ILE 79 -3.227 -9.404 8.513 554 2HG2 ILE 79 2HG2 ILE 79 -3.296 -7.636 8.705 555 3HG2 ILE 79 3HG2 ILE 79 -4.454 -8.460 7.634 556 1HD1 ILE 79 1HD1 ILE 79 -1.136 -10.853 5.861 557 2HD1 ILE 79 2HD1 ILE 79 -2.181 -10.773 7.299 558 3HD1 ILE 79 3HD1 ILE 79 -2.789 -11.509 5.797 559 H HIS 80 H HIS 80 -2.369 -4.777 4.750 560 HA HIS 80 HA HIS 80 -0.494 -5.991 2.922 561 2HB HIS 80 2HB HIS 80 -0.808 -3.885 1.640 562 HD1 HIS 80 1HD HIS 80 -3.521 -3.207 0.689 563 HD2 HIS 80 2HD HIS 80 -2.689 -6.946 2.398 564 HE1 HIS 80 1HE HIS 80 -5.342 -4.791 -0.136 565 H ASP 81 H ASP 81 1.500 -4.731 2.255 566 HA ASP 81 HA ASP 81 2.651 -3.567 4.664 567 2HB ASP 81 2HB ASP 81 4.866 -4.168 3.547 568 HD2 ASP 81 HD ASP 81 2.249 -5.665 4.952 569 H SER 82 H SER 82 4.398 -1.827 4.153 570 HA SER 82 HA SER 82 3.289 0.169 2.632 571 2HB SER 82 2HB SER 82 5.478 -0.133 4.376 572 HG SER 82 HG SER 82 6.336 1.095 1.895 573 H ILE 83 H ILE 83 5.573 -2.442 1.806 574 HA ILE 83 HA ILE 83 6.446 -1.318 -0.634 575 HB ILE 83 HB ILE 83 6.407 -4.184 0.319 576 2HG1 ILE 83 2HG1 ILE 83 7.588 -2.754 1.889 577 1HG2 ILE 83 1HG2 ILE 83 6.835 -4.453 -1.912 578 2HG2 ILE 83 2HG2 ILE 83 7.568 -2.840 -2.087 579 3HG2 ILE 83 3HG2 ILE 83 8.484 -4.155 -1.311 580 1HD1 ILE 83 1HD1 ILE 83 9.574 -3.991 1.978 581 2HD1 ILE 83 2HD1 ILE 83 8.579 -5.023 0.923 582 3HD1 ILE 83 3HD1 ILE 83 9.803 -3.944 0.214 583 H THR 84 H THR 84 3.745 -3.481 0.341 584 HA THR 84 HA THR 84 2.917 -3.866 -2.388 585 HB THR 84 HB THR 84 2.313 -4.887 0.320 586 HG1 THR 84 1HG THR 84 3.126 -6.250 -1.327 587 1HG2 THR 84 1HG2 THR 84 -0.008 -5.590 -0.248 588 2HG2 THR 84 2HG2 THR 84 0.087 -3.815 -0.140 589 3HG2 THR 84 3HG2 THR 84 0.053 -4.609 -1.732 590 H LEU 85 H LEU 85 2.145 -1.666 0.307 591 HA LEU 85 HA LEU 85 -0.266 -0.709 -0.708 592 2HB LEU 85 2HB LEU 85 0.755 1.417 0.628 593 HG LEU 85 HG LEU 85 -1.255 0.398 1.417 594 1HD1 LEU 85 1HD1 LEU 85 -1.500 -1.803 1.480 595 2HD1 LEU 85 2HD1 LEU 85 0.249 -2.033 1.246 596 3HD1 LEU 85 3HD1 LEU 85 -0.415 -1.874 2.890 597 1HD2 LEU 85 1HD2 LEU 85 1.014 0.636 3.341 598 2HD2 LEU 85 2HD2 LEU 85 -0.485 1.585 3.206 599 3HD2 LEU 85 3HD2 LEU 85 -0.523 -0.040 3.930 600 H ALA 86 H ALA 86 3.156 0.193 -1.352 601 HA ALA 86 HA ALA 86 2.635 2.479 -2.846 602 1HB ALA 86 1HB ALA 86 4.845 1.479 -1.901 603 2HB ALA 86 2HB ALA 86 4.900 0.559 -3.423 604 3HB ALA 86 3HB ALA 86 4.903 2.339 -3.458 605 H PHE 87 H PHE 87 2.967 -0.992 -3.835 606 HA PHE 87 HA PHE 87 2.495 -0.424 -6.565 607 2HB PHE 87 2HB PHE 87 1.839 -3.084 -5.270 608 HD1 PHE 87 1HD PHE 87 1.002 -3.620 -7.527 609 HD2 PHE 87 2HD PHE 87 5.035 -2.472 -6.881 610 HE1 PHE 87 1HE PHE 87 1.619 -4.522 -9.786 611 HE2 PHE 87 2HE PHE 87 5.654 -3.375 -9.141 612 HZ PHE 87 HZ PHE 87 3.939 -4.389 -10.566 613 H LEU 88 H LEU 88 0.454 -1.816 -3.902 614 HA LEU 88 HA LEU 88 -1.819 -2.209 -5.436 615 2HB LEU 88 2HB LEU 88 -2.849 -1.728 -2.999 616 HG LEU 88 HG LEU 88 -2.998 -3.931 -3.926 617 1HD1 LEU 88 1HD1 LEU 88 -1.205 -4.679 -5.030 618 2HD1 LEU 88 2HD1 LEU 88 -0.074 -3.729 -4.035 619 3HD1 LEU 88 3HD1 LEU 88 -0.666 -5.303 -3.452 620 1HD2 LEU 88 1HD2 LEU 88 -1.908 -3.579 -1.192 621 2HD2 LEU 88 2HD2 LEU 88 -3.435 -4.308 -1.744 622 3HD2 LEU 88 3HD2 LEU 88 -1.921 -5.240 -1.831 623 H ILE 89 H ILE 89 -0.516 0.712 -3.825 624 HA ILE 89 HA ILE 89 -2.875 2.239 -4.290 625 HB ILE 89 HB ILE 89 -0.064 2.899 -3.439 626 2HG1 ILE 89 2HG1 ILE 89 -0.905 3.065 -1.281 627 1HG2 ILE 89 1HG2 ILE 89 -2.323 4.742 -4.155 628 2HG2 ILE 89 2HG2 ILE 89 -1.192 5.174 -2.849 629 3HG2 ILE 89 3HG2 ILE 89 -0.582 4.885 -4.496 630 1HD1 ILE 89 1HD1 ILE 89 -3.237 3.314 -0.688 631 2HD1 ILE 89 2HD1 ILE 89 -2.894 4.509 -1.962 632 3HD1 ILE 89 3HD1 ILE 89 -3.754 3.002 -2.362 633 H ARG 90 H ARG 90 0.391 2.014 -5.845 634 HA ARG 90 HA ARG 90 0.256 3.908 -7.659 635 2HB ARG 90 2HB ARG 90 1.113 1.664 -9.182 636 2HG ARG 90 2HG ARG 90 2.986 3.011 -7.243 637 2HD ARG 90 2HD ARG 90 3.071 2.593 -10.270 638 HE ARG 90 HE ARG 90 4.828 4.110 -9.885 639 1HH1 ARG 90 2HH2 ARG 90 4.864 1.608 -7.377 640 2HH1 ARG 90 1HH2 ARG 90 6.399 2.095 -6.739 641 2HH2 ARG 90 1HH ARG 90 7.551 3.946 -7.735 642 H GLU 91 H GLU 91 -1.639 0.871 -7.659 643 HA GLU 91 HA GLU 91 -2.564 1.133 -10.291 644 2HB GLU 91 2HB GLU 91 -4.490 -0.348 -8.868 645 2HG GLU 91 2HG GLU 91 -2.830 -2.298 -9.607 646 HE2 GLU 91 HE GLU 91 -3.390 -2.594 -12.486 647 H LYS 92 H LYS 92 -3.873 2.081 -7.060 648 HA LYS 92 HA LYS 92 -6.173 3.294 -8.345 649 2HB LYS 92 2HB LYS 92 -6.341 1.924 -6.240 650 2HG LYS 92 2HG LYS 92 -4.199 3.220 -5.296 651 2HD LYS 92 2HD LYS 92 -6.198 5.268 -5.259 652 2HE LYS 92 2HE LYS 92 -5.836 3.877 -2.645 653 1HZ LYS 92 1HZ LYS 92 -4.704 6.361 -2.868 654 2HZ LYS 92 2HZ LYS 92 -6.179 6.691 -2.262 655 H ALA 93 H ALA 93 -2.993 4.104 -8.045 656 HA ALA 93 HA ALA 93 -3.438 6.804 -8.603 657 1HB ALA 93 1HB ALA 93 -2.854 6.083 -5.733 658 2HB ALA 93 2HB ALA 93 -2.204 7.590 -6.418 659 3HB ALA 93 3HB ALA 93 -3.962 7.314 -6.385 660 H SER 94 H SER 94 -2.072 5.918 -10.323 661 HA SER 94 HA SER 94 0.518 5.006 -9.593 662 2HB SER 94 2HB SER 94 -0.511 4.059 -11.568 663 HG SER 94 HG SER 94 -1.349 6.596 -12.017 664 H HIS 95 H HIS 95 -0.807 7.983 -9.352 665 HA HIS 95 HA HIS 95 1.327 9.444 -10.650 666 2HB HIS 95 2HB HIS 95 -0.072 11.380 -9.490 667 HD1 HIS 95 1HD HIS 95 -2.557 11.886 -11.102 668 HD2 HIS 95 2HD HIS 95 0.712 9.753 -12.637 669 HE1 HIS 95 1HE HIS 95 -2.730 12.042 -13.643 670 H ARG 96 H ARG 96 -0.159 10.180 -7.460 671 HA ARG 96 HA ARG 96 2.518 10.457 -6.442 672 2HB ARG 96 2HB ARG 96 1.516 11.726 -4.634 673 2HG ARG 96 2HG ARG 96 -0.506 12.713 -6.475 674 2HD ARG 96 2HD ARG 96 2.078 13.612 -5.242 675 HE ARG 96 HE ARG 96 2.645 14.773 -7.185 676 1HH1 ARG 96 2HH2 ARG 96 -0.889 14.696 -6.927 677 2HH1 ARG 96 1HH2 ARG 96 -1.135 15.719 -8.304 678 2HH2 ARG 96 1HH ARG 96 0.766 16.545 -9.507 679 H ILE 97 H ILE 97 3.376 8.519 -5.700 680 HA ILE 97 HA ILE 97 1.591 6.843 -4.076 681 HB ILE 97 HB ILE 97 4.079 5.968 -5.537 682 2HG1 ILE 97 2HG1 ILE 97 1.529 6.678 -6.650 683 1HG2 ILE 97 1HG2 ILE 97 2.811 3.724 -5.284 684 2HG2 ILE 97 2HG2 ILE 97 3.663 4.401 -3.875 685 3HG2 ILE 97 3HG2 ILE 97 1.896 4.569 -4.012 686 1HD1 ILE 97 1HD1 ILE 97 3.829 5.172 -7.958 687 2HD1 ILE 97 2HD1 ILE 97 2.678 6.290 -8.726 688 3HD1 ILE 97 3HD1 ILE 97 3.905 6.914 -7.599 689 H VAL 98 H VAL 98 2.966 5.479 -2.417 690 HA VAL 98 HA VAL 98 4.626 7.440 -1.020 691 HB VAL 98 HB VAL 98 2.813 6.783 0.301 692 1HG1 VAL 98 1HG1 VAL 98 3.263 4.085 -0.904 693 2HG1 VAL 98 2HG1 VAL 98 2.573 4.161 0.735 694 3HG1 VAL 98 3HG1 VAL 98 1.749 4.976 -0.617 695 1HG2 VAL 98 1HG2 VAL 98 3.867 6.070 2.207 696 2HG2 VAL 98 2HG2 VAL 98 4.749 4.769 1.370 697 3HG2 VAL 98 3HG2 VAL 98 5.292 6.456 1.212 698 H HIS 99 H HIS 99 6.681 6.814 -0.125 699 HA HIS 99 HA HIS 99 7.747 4.373 -1.342 700 2HB HIS 99 2HB HIS 99 9.949 5.939 -1.170 701 HD1 HIS 99 1HD HIS 99 8.178 7.604 -3.852 702 HD2 HIS 99 2HD HIS 99 9.799 3.780 -3.270 703 HE1 HIS 99 1HE HIS 99 8.436 6.576 -6.173 704 H ARG 100 H ARG 100 10.242 4.305 -0.132 705 HA ARG 100 HA ARG 100 9.782 4.705 2.675 706 2HB ARG 100 2HB ARG 100 8.923 2.370 2.074 707 2HG ARG 100 2HG ARG 100 11.022 2.118 0.432 708 2HD ARG 100 2HD ARG 100 12.206 0.386 2.501 709 HE ARG 100 HE ARG 100 13.956 2.307 1.301 710 1HH1 ARG 100 2HH2 ARG 100 11.846 -0.380 0.366 711 2HH1 ARG 100 1HH2 ARG 100 12.759 -0.766 -1.055 712 2HH2 ARG 100 1HH ARG 100 14.704 0.528 -1.587 713 H VAL 101 H VAL 101 11.734 5.134 3.774 714 HA VAL 101 HA VAL 101 14.168 4.793 2.161 715 HB VAL 101 HB VAL 101 13.480 7.122 2.342 716 1HG1 VAL 101 1HG1 VAL 101 13.333 8.287 4.461 717 2HG1 VAL 101 2HG1 VAL 101 12.211 6.905 4.473 718 3HG1 VAL 101 3HG1 VAL 101 13.757 6.803 5.349 719 1HG2 VAL 101 1HG2 VAL 101 15.952 6.296 3.880 720 2HG2 VAL 101 2HG2 VAL 101 15.822 6.834 2.188 721 3HG2 VAL 101 3HG2 VAL 101 15.579 7.997 3.514 722 H VAL 102 H VAL 102 16.105 4.196 3.306 723 HA VAL 102 HA VAL 102 15.562 3.144 5.996 724 HB VAL 102 HB VAL 102 17.506 1.813 4.162 725 1HG1 VAL 102 1HG1 VAL 102 17.621 0.516 5.980 726 2HG1 VAL 102 2HG1 VAL 102 16.190 1.285 6.706 727 3HG1 VAL 102 3HG1 VAL 102 15.991 -0.067 5.566 728 1HG2 VAL 102 1HG2 VAL 102 15.570 0.288 3.449 729 2HG2 VAL 102 2HG2 VAL 102 14.496 1.615 3.954 730 3HG2 VAL 102 3HG2 VAL 102 15.690 1.878 2.660 731 H LYS 103 H LYS 103 16.365 5.512 6.343 732 HA LYS 103 HA LYS 103 19.066 5.310 7.177 733 2HB LYS 103 2HB LYS 103 19.017 7.623 5.419 734 2HG LYS 103 2HG LYS 103 21.038 6.036 4.538 735 2HD LYS 103 2HD LYS 103 20.845 7.702 7.076 736 2HE LYS 103 2HE LYS 103 23.570 7.361 6.137 737 1HZ LYS 103 1HZ LYS 103 22.392 7.863 8.465 738 2HZ LYS 103 2HZ LYS 103 22.686 6.278 8.694 739 H SER 104 H SER 104 16.237 7.394 6.377 740 HA SER 104 HA SER 104 16.598 8.568 9.014 741 2HB SER 104 2HB SER 104 15.745 10.131 6.539 742 HG SER 104 HG SER 104 16.073 11.953 7.925 743 H ASP 105 H ASP 105 14.384 9.958 9.463 744 HA ASP 105 HA ASP 105 12.331 7.981 9.143 745 2HB ASP 105 2HB ASP 105 11.608 10.533 10.457 746 HD2 ASP 105 HD ASP 105 11.154 7.670 13.025 747 H PHE 106 H PHE 106 10.452 8.293 7.854 748 HA PHE 106 HA PHE 106 10.180 10.921 6.585 749 2HB PHE 106 2HB PHE 106 9.544 8.298 5.172 750 HD1 PHE 106 1HD PHE 106 8.191 9.190 3.485 751 HD2 PHE 106 2HD PHE 106 11.891 11.066 4.375 752 HE1 PHE 106 1HE PHE 106 7.935 10.655 1.463 753 HE2 PHE 106 2HE PHE 106 11.636 12.531 2.354 754 HZ PHE 106 HZ PHE 106 9.661 12.309 0.922 755 H GLU 107 H GLU 107 7.927 11.041 5.419 756 HA GLU 107 HA GLU 107 5.954 9.379 6.661 757 2HB GLU 107 2HB GLU 107 4.654 11.423 7.481 758 2HG GLU 107 2HG GLU 107 7.371 10.944 8.795 759 HE2 GLU 107 HE GLU 107 3.966 12.258 9.564 760 H ILE 108 H ILE 108 3.988 9.327 5.461 761 HA ILE 108 HA ILE 108 3.767 11.196 3.243 762 HB ILE 108 HB ILE 108 3.400 8.309 2.614 763 2HG1 ILE 108 2HG1 ILE 108 6.073 9.671 2.945 764 1HG2 ILE 108 1HG2 ILE 108 4.369 9.246 0.406 765 2HG2 ILE 108 2HG2 ILE 108 2.711 9.688 0.877 766 3HG2 ILE 108 3HG2 ILE 108 4.043 10.841 1.124 767 1HD1 ILE 108 1HD1 ILE 108 4.601 7.477 4.203 768 2HD1 ILE 108 2HD1 ILE 108 6.153 6.916 3.537 769 3HD1 ILE 108 3HD1 ILE 108 6.121 8.251 4.712 770 H GLY 109 H GLY 109 1.627 11.619 2.650 771 1HA GLY 109 1HA GLY 109 -0.495 9.961 3.745 772 2HA GLY 109 2HA GLY 109 -0.363 11.569 4.429 773 H VAL 110 H VAL 110 -2.660 10.746 2.984 774 HA VAL 110 HA VAL 110 -2.628 12.745 0.911 775 HB VAL 110 HB VAL 110 -2.201 10.020 0.268 776 1HG1 VAL 110 1HG1 VAL 110 -4.077 9.398 -1.075 777 2HG1 VAL 110 2HG1 VAL 110 -4.710 9.837 0.530 778 3HG1 VAL 110 3HG1 VAL 110 -4.861 10.976 -0.830 779 1HG2 VAL 110 1HG2 VAL 110 -1.276 11.936 -0.935 780 2HG2 VAL 110 2HG2 VAL 110 -2.181 10.878 -2.045 781 3HG2 VAL 110 3HG2 VAL 110 -2.905 12.402 -1.480 782 H THR 111 H THR 111 -4.892 13.175 0.122 783 HA THR 111 HA THR 111 -6.816 12.421 2.224 784 HB THR 111 HB THR 111 -7.812 14.669 1.796 785 HG1 THR 111 1HG THR 111 -6.927 15.864 0.078 786 1HG2 THR 111 1HG2 THR 111 -5.826 14.519 3.403 787 2HG2 THR 111 2HG2 THR 111 -4.772 14.944 2.032 788 3HG2 THR 111 3HG2 THR 111 -5.999 16.100 2.605 789 H ARG 112 H ARG 112 -6.031 12.448 -1.192 790 HA ARG 112 HA ARG 112 -8.488 11.007 -1.613 791 2HB ARG 112 2HB ARG 112 -9.465 12.544 -2.989 792 2HG ARG 112 2HG ARG 112 -7.128 14.218 -1.974 793 2HD ARG 112 2HD ARG 112 -8.352 14.937 -4.252 794 HE ARG 112 HE ARG 112 -10.478 15.200 -2.277 795 1HH1 ARG 112 2HH2 ARG 112 -9.128 16.655 -5.212 796 2HH1 ARG 112 1HH2 ARG 112 -10.625 17.389 -5.686 797 2HH2 ARG 112 1HH ARG 112 -12.565 17.089 -4.312 798 H ASP 113 H ASP 113 -5.490 12.380 -3.148 799 HA ASP 113 HA ASP 113 -4.126 10.198 -3.601 800 2HB ASP 113 2HB ASP 113 -6.422 10.322 -5.545 801 HD2 ASP 113 HD ASP 113 -5.920 10.311 -7.781 802 H GLY 114 H GLY 114 -5.501 13.203 -4.818 803 1HA GLY 114 1HA GLY 114 -3.492 13.720 -6.812 804 2HA GLY 114 2HA GLY 114 -4.727 14.814 -6.220 805 H GLU 115 H GLU 115 -4.390 15.500 -3.769 806 HA GLU 115 HA GLU 115 -1.702 16.507 -3.683 807 2HB GLU 115 2HB GLU 115 -2.552 18.221 -2.408 808 2HG GLU 115 2HG GLU 115 -5.316 17.186 -3.072 809 HE2 GLU 115 HE GLU 115 -4.406 20.878 -4.054 810 H ILE 116 H ILE 116 -0.085 15.616 -2.471 811 HA ILE 116 HA ILE 116 -0.920 13.795 -0.319 812 HB ILE 116 HB ILE 116 0.758 12.320 -0.856 813 2HG1 ILE 116 2HG1 ILE 116 2.134 14.690 -2.031 814 1HG2 ILE 116 1HG2 ILE 116 0.437 13.115 -3.687 815 2HG2 ILE 116 2HG2 ILE 116 0.098 11.569 -2.873 816 3HG2 ILE 116 3HG2 ILE 116 -1.069 12.908 -2.761 817 1HD1 ILE 116 1HD1 ILE 116 3.291 14.220 -0.129 818 2HD1 ILE 116 2HD1 ILE 116 2.551 12.608 0.017 819 3HD1 ILE 116 3HD1 ILE 116 3.968 12.844 -1.034 820 H ILE 117 H ILE 117 0.941 13.539 1.371 821 HA ILE 117 HA ILE 117 2.268 16.124 1.734 822 HB ILE 117 HB ILE 117 1.696 15.950 4.166 823 2HG1 ILE 117 2HG1 ILE 117 0.164 13.611 3.146 824 1HG2 ILE 117 1HG2 ILE 117 0.554 17.401 2.365 825 2HG2 ILE 117 2HG2 ILE 117 -0.800 16.254 2.509 826 3HG2 ILE 117 3HG2 ILE 117 -0.266 17.183 3.931 827 1HD1 ILE 117 1HD1 ILE 117 1.940 14.376 5.381 828 2HD1 ILE 117 2HD1 ILE 117 0.509 13.455 5.903 829 3HD1 ILE 117 3HD1 ILE 117 1.614 12.768 4.689 830 H VAL 118 H VAL 118 4.329 16.012 2.656 831 HA VAL 118 HA VAL 118 5.234 13.316 3.369 832 HB VAL 118 HB VAL 118 7.445 14.278 2.229 833 1HG1 VAL 118 1HG1 VAL 118 5.864 12.193 1.764 834 2HG1 VAL 118 2HG1 VAL 118 5.447 13.137 0.314 835 3HG1 VAL 118 3HG1 VAL 118 7.139 12.673 0.619 836 1HG2 VAL 118 1HG2 VAL 118 6.860 15.400 0.088 837 2HG2 VAL 118 2HG2 VAL 118 5.182 15.559 0.660 838 3HG2 VAL 118 3HG2 VAL 118 6.499 16.396 1.518 839 H ASP 119 H ASP 119 7.085 13.300 4.847 840 HA ASP 119 HA ASP 119 7.930 15.789 5.912 841 2HB ASP 119 2HB ASP 119 6.802 14.035 8.049 842 HD2 ASP 119 HD ASP 119 5.730 17.483 7.332 843 H LEU 120 H LEU 120 9.513 15.285 7.865 844 HA LEU 120 HA LEU 120 10.742 12.663 7.367 845 2HB LEU 120 2HB LEU 120 11.806 15.185 6.980 846 HG LEU 120 HG LEU 120 12.133 15.041 9.631 847 1HD1 LEU 120 1HD1 LEU 120 13.839 13.786 10.418 848 2HD1 LEU 120 2HD1 LEU 120 13.436 12.769 9.014 849 3HD1 LEU 120 3HD1 LEU 120 14.787 13.925 8.918 850 1HD2 LEU 120 1HD2 LEU 120 14.351 15.941 7.773 851 2HD2 LEU 120 2HD2 LEU 120 12.852 16.851 8.081 852 3HD2 LEU 120 3HD2 LEU 120 13.996 16.544 9.411 853 H ASN 121 H ASN 121 8.697 14.152 9.435 854 HA ASN 121 HA ASN 121 8.100 13.819 11.491 855 2HB ASN 121 2HB ASN 121 10.003 11.467 11.166 856 1HD2 ASN 121 1HD2 ASN 121 7.213 11.521 13.209 857 2HD2 ASN 121 2HD2 ASN 121 8.002 11.334 14.740 858 H SER 122 H SER 122 8.706 14.657 13.585 859 HA SER 122 HA SER 122 11.275 14.629 14.569 860 2HB SER 122 2HB SER 122 10.607 17.389 13.493 861 HG SER 122 HG SER 122 12.552 16.370 15.084 Start of MODEL 13 1 H MET 1 H MET 1 10.901 4.537 -14.311 2 HA MET 1 HA MET 1 9.472 2.390 -14.681 3 2HB MET 1 2HB MET 1 10.789 2.290 -17.046 4 2HG MET 1 2HG MET 1 9.746 4.937 -17.083 5 1HE MET 1 1HE MET 1 6.446 2.913 -16.974 6 2HE MET 1 2HE MET 1 7.003 1.361 -17.644 7 3HE MET 1 3HE MET 1 7.722 1.991 -16.142 8 H ARG 2 H ARG 2 10.322 0.802 -13.056 9 HA ARG 2 HA ARG 2 12.315 -0.873 -14.352 10 2HB ARG 2 2HB ARG 2 12.339 -1.275 -11.473 11 2HG ARG 2 2HG ARG 2 14.578 0.159 -12.857 12 2HD ARG 2 2HD ARG 2 14.305 -2.351 -11.139 13 HE ARG 2 HE ARG 2 16.471 -1.654 -12.887 14 1HH1 ARG 2 2HH2 ARG 2 15.895 -2.688 -9.547 15 2HH1 ARG 2 1HH2 ARG 2 17.448 -3.439 -9.382 16 2HH2 ARG 2 1HH ARG 2 18.973 -3.402 -11.230 17 H GLU 3 H GLU 3 12.218 -3.073 -12.575 18 HA GLU 3 HA GLU 3 9.410 -3.823 -12.828 19 2HB GLU 3 2HB GLU 3 10.992 -5.071 -14.313 20 2HG GLU 3 2HG GLU 3 12.579 -5.155 -11.927 21 HE2 GLU 3 HE GLU 3 11.966 -6.577 -10.412 22 H ARG 4 H ARG 4 8.397 -4.951 -11.084 23 HA ARG 4 HA ARG 4 9.692 -5.966 -8.920 24 2HB ARG 4 2HB ARG 4 10.496 -3.756 -8.308 25 2HG ARG 4 2HG ARG 4 7.589 -2.841 -8.540 26 2HD ARG 4 2HD ARG 4 10.132 -1.261 -7.918 27 HE ARG 4 HE ARG 4 7.573 0.020 -7.480 28 1HH1 ARG 4 2HH2 ARG 4 9.904 -0.766 -10.029 29 2HH1 ARG 4 1HH2 ARG 4 9.415 0.544 -11.051 30 2HH2 ARG 4 1HH ARG 4 7.664 2.010 -10.325 31 H GLY 5 H GLY 5 8.121 -6.573 -7.161 32 1HA GLY 5 1HA GLY 5 5.383 -5.823 -7.337 33 2HA GLY 5 2HA GLY 5 5.655 -7.369 -8.116 34 H TRP 6 H TRP 6 4.120 -7.980 -6.226 35 HA TRP 6 HA TRP 6 5.529 -8.207 -3.689 36 2HB TRP 6 2HB TRP 6 3.522 -7.942 -2.825 37 HD1 TRP 6 HD TRP 6 2.322 -5.762 -3.668 38 HE1 TRP 6 1HE TRP 6 0.692 -5.049 -5.617 39 HE3 TRP 6 3HE TRP 6 2.556 -10.175 -6.184 40 HZ2 TRP 6 2HZ TRP 6 -0.293 -6.381 -7.941 41 HZ3 TRP 6 3HZ TRP 6 1.230 -10.385 -8.284 42 HH2 TRP 6 HH TRP 6 -0.159 -8.579 -9.169 43 H SER 7 H SER 7 6.996 -9.622 -5.400 44 HA SER 7 HA SER 7 6.246 -12.338 -4.748 45 2HB SER 7 2HB SER 7 7.096 -12.992 -7.118 46 HG SER 7 HG SER 7 5.020 -12.953 -7.872 47 H GLN 8 H GLN 8 8.233 -10.176 -3.876 48 HA GLN 8 HA GLN 8 10.389 -11.851 -3.478 49 2HB GLN 8 2HB GLN 8 11.754 -9.860 -5.017 50 2HG GLN 8 2HG GLN 8 11.401 -12.833 -4.981 51 1HE2 GLN 8 1HE2 GLN 8 14.083 -12.287 -6.624 52 2HE2 GLN 8 2HE2 GLN 8 13.573 -12.494 -8.267 53 H LYS 9 H LYS 9 8.626 -10.079 -2.025 54 HA LYS 9 HA LYS 9 10.375 -7.848 -1.320 55 2HB LYS 9 2HB LYS 9 8.395 -7.000 -0.104 56 2HG LYS 9 2HG LYS 9 6.949 -6.639 -2.149 57 2HD LYS 9 2HD LYS 9 9.483 -5.668 -1.655 58 2HE LYS 9 2HE LYS 9 9.511 -7.234 -4.235 59 1HZ LYS 9 1HZ LYS 9 9.754 -4.819 -4.804 60 2HZ LYS 9 2HZ LYS 9 11.069 -4.736 -3.847 61 H LYS 10 H LYS 10 8.087 -9.535 0.853 62 HA LYS 10 HA LYS 10 10.061 -11.051 2.178 63 2HB LYS 10 2HB LYS 10 9.211 -8.921 4.042 64 2HG LYS 10 2HG LYS 10 12.018 -9.292 3.985 65 2HD LYS 10 2HD LYS 10 10.886 -11.131 5.851 66 2HE LYS 10 2HE LYS 10 11.351 -8.201 6.470 67 1HZ LYS 10 1HZ LYS 10 10.848 -9.875 8.230 68 2HZ LYS 10 2HZ LYS 10 12.206 -10.688 7.849 69 H ILE 11 H ILE 11 7.360 -9.090 3.568 70 HA ILE 11 HA ILE 11 6.131 -11.495 4.510 71 HB ILE 11 HB ILE 11 5.038 -8.688 4.578 72 2HG1 ILE 11 2HG1 ILE 11 7.282 -8.551 5.437 73 1HG2 ILE 11 1HG2 ILE 11 3.478 -9.439 6.004 74 2HG2 ILE 11 2HG2 ILE 11 3.843 -11.030 5.297 75 3HG2 ILE 11 3HG2 ILE 11 4.608 -10.540 6.829 76 1HD1 ILE 11 1HD1 ILE 11 5.188 -8.798 7.642 77 2HD1 ILE 11 2HD1 ILE 11 6.804 -8.092 7.880 78 3HD1 ILE 11 3HD1 ILE 11 5.650 -7.320 6.766 79 H ALA 12 H ALA 12 6.361 -10.245 1.476 80 HA ALA 12 HA ALA 12 3.880 -9.928 0.445 81 1HB ALA 12 1HB ALA 12 4.886 -10.963 -1.645 82 2HB ALA 12 2HB ALA 12 5.850 -9.664 -0.904 83 3HB ALA 12 3HB ALA 12 6.316 -11.366 -0.666 84 H ARG 13 H ARG 13 5.449 -12.947 1.547 85 HA ARG 13 HA ARG 13 3.787 -14.744 0.363 86 2HB ARG 13 2HB ARG 13 4.277 -16.067 2.643 87 2HG ARG 13 2HG ARG 13 6.615 -15.128 0.925 88 2HD ARG 13 2HD ARG 13 6.071 -17.422 2.782 89 HE ARG 13 HE ARG 13 6.655 -18.974 1.147 90 1HH1 ARG 13 2HH2 ARG 13 8.316 -15.932 0.411 91 2HH1 ARG 13 1HH2 ARG 13 9.166 -16.582 -0.950 92 2HH2 ARG 13 1HH ARG 13 8.834 -18.877 -1.555 93 H GLU 14 H GLU 14 3.493 -13.296 3.695 94 HA GLU 14 HA GLU 14 1.085 -14.477 4.296 95 2HB GLU 14 2HB GLU 14 1.461 -11.753 5.405 96 2HG GLU 14 2HG GLU 14 1.288 -14.593 6.502 97 HE2 GLU 14 HE GLU 14 3.252 -14.050 7.674 98 H LEU 15 H LEU 15 1.855 -11.435 2.545 99 HA LEU 15 HA LEU 15 -0.751 -10.423 2.490 100 2HB LEU 15 2HB LEU 15 0.621 -9.625 0.155 101 HG LEU 15 HG LEU 15 -0.024 -8.400 2.784 102 1HD1 LEU 15 1HD1 LEU 15 1.748 -6.739 1.076 103 2HD1 LEU 15 2HD1 LEU 15 1.543 -6.769 2.844 104 3HD1 LEU 15 3HD1 LEU 15 2.528 -8.016 2.042 105 1HD2 LEU 15 1HD2 LEU 15 -0.618 -6.511 1.062 106 2HD2 LEU 15 2HD2 LEU 15 -0.496 -7.837 -0.121 107 3HD2 LEU 15 3HD2 LEU 15 -1.653 -7.951 1.227 108 H LYS 16 H LYS 16 1.037 -12.708 0.363 109 HA LYS 16 HA LYS 16 -0.863 -12.825 -1.665 110 2HB LYS 16 2HB LYS 16 1.386 -14.545 -0.713 111 2HG LYS 16 2HG LYS 16 -0.953 -15.453 -2.369 112 2HD LYS 16 2HD LYS 16 1.392 -15.212 -3.730 113 2HE LYS 16 2HE LYS 16 2.334 -16.847 -1.836 114 1HZ LYS 16 1HZ LYS 16 0.703 -18.571 -3.565 115 2HZ LYS 16 2HZ LYS 16 2.124 -19.157 -3.030 116 H THR 17 H THR 17 -0.560 -14.616 1.447 117 HA THR 17 HA THR 17 -2.729 -16.353 0.940 118 HB THR 17 HB THR 17 -0.687 -16.097 2.812 119 HG1 THR 17 1HG THR 17 -1.746 -18.074 2.289 120 1HG2 THR 17 1HG2 THR 17 -3.280 -15.938 4.387 121 2HG2 THR 17 2HG2 THR 17 -1.609 -15.736 4.968 122 3HG2 THR 17 3HG2 THR 17 -2.382 -14.445 4.018 123 H THR 18 H THR 18 -2.510 -12.992 1.988 124 HA THR 18 HA THR 18 -5.316 -13.039 2.803 125 HB THR 18 HB THR 18 -3.075 -11.792 3.835 126 HG1 THR 18 1HG THR 18 -4.893 -11.636 5.104 127 1HG2 THR 18 1HG2 THR 18 -2.938 -10.161 1.946 128 2HG2 THR 18 2HG2 THR 18 -4.654 -9.749 2.184 129 3HG2 THR 18 3HG2 THR 18 -3.459 -9.349 3.443 130 H ARG 19 H ARG 19 -6.954 -12.464 1.519 131 HA ARG 19 HA ARG 19 -7.137 -10.416 -0.105 132 2HB ARG 19 2HB ARG 19 -6.713 -12.059 -2.373 133 2HG ARG 19 2HG ARG 19 -5.457 -9.650 -1.126 134 2HD ARG 19 2HD ARG 19 -4.088 -11.172 -3.397 135 HE ARG 19 HE ARG 19 -4.038 -8.459 -2.970 136 1HH1 ARG 19 2HH2 ARG 19 -1.593 -10.981 -2.505 137 2HH1 ARG 19 1HH2 ARG 19 -0.259 -9.915 -2.793 138 2HH2 ARG 19 1HH ARG 19 -0.686 -7.610 -3.290 139 H GLN 20 H GLN 20 -8.902 -11.826 1.406 140 HA GLN 20 HA GLN 20 -10.263 -13.826 -0.010 141 2HB GLN 20 2HB GLN 20 -12.044 -12.655 1.872 142 2HG GLN 20 2HG GLN 20 -11.084 -14.627 3.313 143 1HE2 GLN 20 1HE2 GLN 20 -11.726 -16.907 2.649 144 2HE2 GLN 20 2HE2 GLN 20 -13.122 -17.070 1.637 145 H ASN 21 H ASN 21 -10.101 -12.196 -2.039 146 HA ASN 21 HA ASN 21 -11.166 -11.055 -3.544 147 2HB ASN 21 2HB ASN 21 -13.671 -11.176 -3.617 148 1HD2 ASN 21 1HD2 ASN 21 -14.230 -13.780 -1.923 149 2HD2 ASN 21 2HD2 ASN 21 -13.595 -15.047 -2.919 150 H VAL 22 H VAL 22 -10.268 -9.747 -0.978 151 HA VAL 22 HA VAL 22 -12.243 -7.613 -0.688 152 HB VAL 22 HB VAL 22 -9.885 -8.546 0.939 153 1HG1 VAL 22 1HG1 VAL 22 -11.383 -5.929 1.087 154 2HG1 VAL 22 2HG1 VAL 22 -10.636 -6.652 2.533 155 3HG1 VAL 22 3HG1 VAL 22 -9.628 -6.225 1.129 156 1HG2 VAL 22 1HG2 VAL 22 -11.454 -9.109 2.594 157 2HG2 VAL 22 2HG2 VAL 22 -12.727 -8.104 1.863 158 3HG2 VAL 22 3HG2 VAL 22 -12.226 -9.618 1.073 159 H SER 23 H SER 23 -10.025 -8.295 -2.901 160 HA SER 23 HA SER 23 -9.697 -5.765 -3.783 161 2HB SER 23 2HB SER 23 -6.944 -6.151 -3.017 162 HG SER 23 HG SER 23 -8.979 -4.190 -2.738 163 H ALA 24 H ALA 24 -7.359 -8.507 -3.217 164 HA ALA 24 HA ALA 24 -6.072 -9.597 -4.695 165 1HB ALA 24 1HB ALA 24 -7.615 -11.232 -4.960 166 2HB ALA 24 2HB ALA 24 -8.936 -10.068 -5.217 167 3HB ALA 24 3HB ALA 24 -7.877 -10.526 -6.572 168 H ILE 25 H ILE 25 -5.428 -7.106 -5.218 169 HA ILE 25 HA ILE 25 -6.171 -6.277 -7.848 170 HB ILE 25 HB ILE 25 -4.110 -5.299 -5.874 171 2HG1 ILE 25 2HG1 ILE 25 -6.540 -5.080 -5.270 172 1HG2 ILE 25 1HG2 ILE 25 -4.809 -4.329 -8.639 173 2HG2 ILE 25 2HG2 ILE 25 -4.189 -3.219 -7.392 174 3HG2 ILE 25 3HG2 ILE 25 -3.209 -4.611 -7.910 175 1HD1 ILE 25 1HD1 ILE 25 -5.914 -3.213 -4.151 176 2HD1 ILE 25 2HD1 ILE 25 -4.447 -3.168 -5.159 177 3HD1 ILE 25 3HD1 ILE 25 -5.897 -2.265 -5.658 178 H GLU 26 H GLU 26 -3.690 -8.308 -6.375 179 HA GLU 26 HA GLU 26 -1.829 -8.105 -8.440 180 2HB GLU 26 2HB GLU 26 -1.130 -8.979 -6.309 181 2HG GLU 26 2HG GLU 26 -3.625 -10.149 -6.158 182 HE2 GLU 26 HE GLU 26 -3.303 -13.658 -6.128 183 H ARG 27 H ARG 27 -4.550 -10.400 -7.790 184 HA ARG 27 HA ARG 27 -3.987 -11.945 -10.061 185 2HB ARG 27 2HB ARG 27 -6.557 -12.600 -9.583 186 2HG ARG 27 2HG ARG 27 -5.366 -13.619 -7.261 187 2HD ARG 27 2HD ARG 27 -4.476 -15.166 -9.524 188 HE ARG 27 HE ARG 27 -6.979 -16.012 -8.412 189 1HH1 ARG 27 2HH2 ARG 27 -3.646 -15.360 -7.401 190 2HH1 ARG 27 1HH2 ARG 27 -3.702 -16.467 -6.071 191 2HH2 ARG 27 1HH ARG 27 -5.714 -17.698 -5.651 192 H LYS 28 H LYS 28 -6.513 -9.452 -9.266 193 HA LYS 28 HA LYS 28 -7.808 -9.474 -11.705 194 2HB LYS 28 2HB LYS 28 -7.621 -7.692 -9.363 195 2HG LYS 28 2HG LYS 28 -8.680 -6.638 -12.027 196 2HD LYS 28 2HD LYS 28 -8.245 -4.646 -9.984 197 2HE LYS 28 2HE LYS 28 -10.710 -5.804 -11.357 198 1HZ LYS 28 1HZ LYS 28 -11.585 -4.819 -9.434 199 2HZ LYS 28 2HZ LYS 28 -10.470 -3.634 -9.369 200 H ALA 29 H ALA 29 -4.892 -7.651 -10.613 201 HA ALA 29 HA ALA 29 -4.627 -6.085 -12.902 202 1HB ALA 29 1HB ALA 29 -2.642 -7.146 -10.859 203 2HB ALA 29 2HB ALA 29 -2.206 -5.976 -12.126 204 3HB ALA 29 3HB ALA 29 -3.420 -5.546 -10.898 205 H MET 30 H MET 30 -2.871 -9.149 -12.010 206 HA MET 30 HA MET 30 -1.705 -9.422 -14.505 207 2HB MET 30 2HB MET 30 -2.401 -11.892 -12.927 208 2HG MET 30 2HG MET 30 0.419 -10.992 -13.288 209 1HE MET 30 1HE MET 30 1.037 -12.745 -15.473 210 2HE MET 30 2HE MET 30 1.409 -14.372 -14.851 211 3HE MET 30 3HE MET 30 -0.092 -14.089 -15.768 212 H GLU 31 H GLU 31 -4.984 -9.706 -13.618 213 HA GLU 31 HA GLU 31 -5.601 -11.841 -15.402 214 2HB GLU 31 2HB GLU 31 -7.945 -10.327 -14.740 215 2HG GLU 31 2HG GLU 31 -6.708 -12.975 -14.086 216 HE2 GLU 31 HE GLU 31 -9.664 -11.988 -11.542 217 H ASN 32 H ASN 32 -4.124 -10.037 -16.864 218 HA ASN 32 HA ASN 32 -4.093 -8.776 -18.631 219 2HB ASN 32 2HB ASN 32 -6.436 -9.024 -20.047 220 1HD2 ASN 32 1HD2 ASN 32 -4.922 -11.976 -18.873 221 2HD2 ASN 32 2HD2 ASN 32 -3.930 -12.301 -20.254 222 H ILE 33 H ILE 33 -5.221 -7.623 -16.113 223 HA ILE 33 HA ILE 33 -7.507 -6.140 -16.478 224 HB ILE 33 HB ILE 33 -5.600 -6.480 -14.525 225 2HG1 ILE 33 2HG1 ILE 33 -7.758 -6.321 -13.777 226 1HG2 ILE 33 1HG2 ILE 33 -5.642 -3.531 -15.216 227 2HG2 ILE 33 2HG2 ILE 33 -4.798 -4.316 -13.859 228 3HG2 ILE 33 3HG2 ILE 33 -4.276 -4.628 -15.532 229 1HD1 ILE 33 1HD1 ILE 33 -7.946 -4.457 -12.296 230 2HD1 ILE 33 2HD1 ILE 33 -6.195 -4.711 -12.486 231 3HD1 ILE 33 3HD1 ILE 33 -7.006 -3.402 -13.378 232 H GLU 34 H GLU 34 -7.734 -3.755 -16.840 233 HA GLU 34 HA GLU 34 -5.705 -2.333 -18.093 234 2HB GLU 34 2HB GLU 34 -7.541 -2.524 -20.293 235 2HG GLU 34 2HG GLU 34 -5.124 -3.905 -20.898 236 HE2 GLU 34 HE GLU 34 -5.520 -2.036 -23.439 237 H LYS 35 H LYS 35 -9.267 -2.948 -17.958 238 HA LYS 35 HA LYS 35 -9.973 -0.784 -16.534 239 2HB LYS 35 2HB LYS 35 -9.127 0.871 -17.910 240 2HG LYS 35 2HG LYS 35 -9.765 -1.070 -20.114 241 2HD LYS 35 2HD LYS 35 -9.237 1.090 -21.629 242 2HE LYS 35 2HE LYS 35 -11.503 -0.496 -21.124 243 1HZ LYS 35 1HZ LYS 35 -12.455 1.296 -19.793 244 2HZ LYS 35 2HZ LYS 35 -12.216 2.385 -20.979 245 H SER 36 H SER 36 -11.239 -2.754 -16.036 246 HA SER 36 HA SER 36 -13.615 -2.763 -17.705 247 2HB SER 36 2HB SER 36 -13.761 -5.276 -17.342 248 HG SER 36 HG SER 36 -11.848 -5.714 -18.836 249 H ARG 37 H ARG 37 -12.503 -4.684 -14.828 250 HA ARG 37 HA ARG 37 -14.833 -4.608 -13.496 251 2HB ARG 37 2HB ARG 37 -12.699 -4.370 -11.548 252 2HG ARG 37 2HG ARG 37 -14.628 -6.377 -12.559 253 2HD ARG 37 2HD ARG 37 -12.795 -7.892 -10.965 254 HE ARG 37 HE ARG 37 -14.003 -9.150 -12.569 255 1HH1 ARG 37 2HH2 ARG 37 -11.885 -6.811 -14.180 256 2HH1 ARG 37 1HH2 ARG 37 -12.079 -7.525 -15.746 257 2HH2 ARG 37 1HH ARG 37 -13.481 -9.454 -15.990 258 H ASN 38 H ASN 38 -12.026 -2.664 -12.261 259 HA ASN 38 HA ASN 38 -11.890 -0.508 -11.792 260 2HB ASN 38 2HB ASN 38 -13.644 1.094 -12.204 261 1HD2 ASN 38 1HD2 ASN 38 -15.857 -0.002 -13.976 262 2HD2 ASN 38 2HD2 ASN 38 -15.105 -0.309 -15.505 263 H THR 39 H THR 39 -12.129 -2.582 -9.907 264 HA THR 39 HA THR 39 -14.193 -2.007 -8.001 265 HB THR 39 HB THR 39 -11.660 -3.723 -7.827 266 HG1 THR 39 1HG THR 39 -13.397 -4.026 -9.594 267 1HG2 THR 39 1HG2 THR 39 -14.262 -4.395 -6.475 268 2HG2 THR 39 2HG2 THR 39 -12.597 -4.738 -5.949 269 3HG2 THR 39 3HG2 THR 39 -13.283 -3.111 -5.727 270 H LEU 40 H LEU 40 -10.667 -2.151 -7.289 271 HA LEU 40 HA LEU 40 -10.747 -0.505 -5.136 272 2HB LEU 40 2HB LEU 40 -8.848 -1.881 -5.817 273 HG LEU 40 HG LEU 40 -7.144 -1.079 -7.330 274 1HD1 LEU 40 1HD1 LEU 40 -9.784 -1.170 -8.812 275 2HD1 LEU 40 2HD1 LEU 40 -8.172 -1.591 -9.440 276 3HD1 LEU 40 3HD1 LEU 40 -8.928 -2.596 -8.181 277 1HD2 LEU 40 1HD2 LEU 40 -8.761 0.948 -8.708 278 2HD2 LEU 40 2HD2 LEU 40 -8.286 1.397 -7.053 279 3HD2 LEU 40 3HD2 LEU 40 -7.041 0.958 -8.247 280 H ASP 41 H ASP 41 -10.974 0.344 -8.561 281 HA ASP 41 HA ASP 41 -10.263 3.016 -8.292 282 2HB ASP 41 2HB ASP 41 -12.321 1.937 -10.261 283 HD2 ASP 41 HD ASP 41 -12.520 4.259 -11.873 284 H PHE 42 H PHE 42 -13.507 1.360 -8.543 285 HA PHE 42 HA PHE 42 -15.119 3.532 -8.214 286 2HB PHE 42 2HB PHE 42 -15.196 0.592 -7.392 287 HD1 PHE 42 1HD PHE 42 -16.056 0.730 -5.113 288 HD2 PHE 42 2HD PHE 42 -18.144 2.519 -8.345 289 HE1 PHE 42 1HE PHE 42 -18.104 0.935 -3.677 290 HE2 PHE 42 2HE PHE 42 -20.193 2.724 -6.909 291 HZ PHE 42 HZ PHE 42 -20.149 1.929 -4.592 292 H VAL 43 H VAL 43 -13.273 1.710 -5.747 293 HA VAL 43 HA VAL 43 -14.592 3.092 -3.590 294 HB VAL 43 HB VAL 43 -13.112 0.713 -3.951 295 1HG1 VAL 43 1HG1 VAL 43 -11.843 2.438 -1.802 296 2HG1 VAL 43 2HG1 VAL 43 -11.391 0.785 -2.287 297 3HG1 VAL 43 3HG1 VAL 43 -11.112 2.148 -3.398 298 1HG2 VAL 43 1HG2 VAL 43 -15.173 1.508 -2.442 299 2HG2 VAL 43 2HG2 VAL 43 -14.205 0.065 -2.052 300 3HG2 VAL 43 3HG2 VAL 43 -13.893 1.602 -1.210 301 H LYS 44 H LYS 44 -11.863 3.535 -5.738 302 HA LYS 44 HA LYS 44 -10.285 5.119 -4.028 303 2HB LYS 44 2HB LYS 44 -9.947 3.958 -6.469 304 2HG LYS 44 2HG LYS 44 -11.269 5.967 -7.445 305 2HD LYS 44 2HD LYS 44 -9.037 7.331 -6.071 306 2HE LYS 44 2HE LYS 44 -9.703 8.352 -8.851 307 1HZ LYS 44 1HZ LYS 44 -7.662 8.888 -6.791 308 2HZ LYS 44 2HZ LYS 44 -7.349 9.263 -8.344 309 H SER 45 H SER 45 -12.967 5.820 -6.323 310 HA SER 45 HA SER 45 -12.808 8.484 -6.487 311 2HB SER 45 2HB SER 45 -15.316 6.798 -6.081 312 HG SER 45 HG SER 45 -15.408 9.104 -7.690 313 H LEU 46 H LEU 46 -14.190 6.545 -3.766 314 HA LEU 46 HA LEU 46 -15.373 8.367 -2.230 315 2HB LEU 46 2HB LEU 46 -13.643 6.906 -0.508 316 HG LEU 46 HG LEU 46 -16.430 6.131 -1.404 317 1HD1 LEU 46 1HD1 LEU 46 -16.481 5.182 0.964 318 2HD1 LEU 46 2HD1 LEU 46 -15.498 4.314 -0.241 319 3HD1 LEU 46 3HD1 LEU 46 -14.711 5.369 0.958 320 1HD2 LEU 46 1HD2 LEU 46 -17.068 7.354 0.776 321 2HD2 LEU 46 2HD2 LEU 46 -15.502 8.181 0.598 322 3HD2 LEU 46 3HD2 LEU 46 -16.733 8.325 -0.679 323 H LYS 47 H LYS 47 -11.788 7.906 -2.465 324 HA LYS 47 HA LYS 47 -10.117 9.294 -2.074 325 2HB LYS 47 2HB LYS 47 -10.667 11.810 -1.972 326 2HG LYS 47 2HG LYS 47 -11.189 9.918 -4.273 327 2HD LYS 47 2HD LYS 47 -11.451 12.961 -4.382 328 2HE LYS 47 2HE LYS 47 -11.393 10.800 -6.533 329 1HZ LYS 47 1HZ LYS 47 -12.767 12.079 -7.739 330 2HZ LYS 47 2HZ LYS 47 -13.022 13.070 -6.473 331 H SER 48 H SER 48 -10.384 7.873 -0.004 332 HA SER 48 HA SER 48 -11.228 9.418 2.262 333 2HB SER 48 2HB SER 48 -9.869 6.923 2.922 334 HG SER 48 HG SER 48 -12.648 7.744 3.002 335 HA PRO 49 HA PRO 49 -7.172 10.783 3.111 336 2HB PRO 49 2HB PRO 49 -7.955 12.667 4.178 337 2HG PRO 49 2HG PRO 49 -10.143 12.529 4.894 338 2HD PRO 49 2HD PRO 49 -10.944 10.928 3.452 339 H VAL 50 H VAL 50 -5.229 10.026 3.812 340 HA VAL 50 HA VAL 50 -5.365 8.178 6.053 341 HB VAL 50 HB VAL 50 -4.208 7.439 3.358 342 1HG1 VAL 50 1HG1 VAL 50 -4.209 6.094 6.055 343 2HG1 VAL 50 2HG1 VAL 50 -4.124 5.135 4.559 344 3HG1 VAL 50 3HG1 VAL 50 -2.864 6.340 4.915 345 1HG2 VAL 50 1HG2 VAL 50 -6.821 6.805 4.692 346 2HG2 VAL 50 2HG2 VAL 50 -6.468 7.164 2.984 347 3HG2 VAL 50 3HG2 VAL 50 -6.046 5.574 3.666 348 H ARG 51 H ARG 51 -3.319 7.919 7.128 349 HA ARG 51 HA ARG 51 -1.161 9.490 6.055 350 2HB ARG 51 2HB ARG 51 -2.056 11.223 7.393 351 2HG ARG 51 2HG ARG 51 -2.584 10.272 9.962 352 2HD ARG 51 2HD ARG 51 -4.719 10.359 7.797 353 HE ARG 51 HE ARG 51 -4.664 10.723 10.716 354 1HH1 ARG 51 2HH2 ARG 51 -6.477 11.319 7.731 355 2HH1 ARG 51 1HH2 ARG 51 -7.992 11.525 8.545 356 2HH2 ARG 51 1HH ARG 51 -8.078 11.330 10.932 357 H ILE 52 H ILE 52 0.828 8.518 6.518 358 HA ILE 52 HA ILE 52 1.085 6.837 8.838 359 HB ILE 52 HB ILE 52 2.014 5.084 6.958 360 2HG1 ILE 52 2HG1 ILE 52 0.750 6.621 5.275 361 1HG2 ILE 52 1HG2 ILE 52 0.584 3.632 7.950 362 2HG2 ILE 52 2HG2 ILE 52 0.418 4.976 9.104 363 3HG2 ILE 52 3HG2 ILE 52 -0.806 4.739 7.834 364 1HD1 ILE 52 1HD1 ILE 52 -0.252 4.329 4.257 365 2HD1 ILE 52 2HD1 ILE 52 1.494 4.674 4.266 366 3HD1 ILE 52 3HD1 ILE 52 0.787 3.629 5.521 367 H LEU 53 H LEU 53 3.301 6.425 9.364 368 HA LEU 53 HA LEU 53 5.090 8.242 7.935 369 2HB LEU 53 2HB LEU 53 4.895 7.213 10.725 370 HG LEU 53 HG LEU 53 7.462 7.800 9.336 371 1HD1 LEU 53 1HD1 LEU 53 8.105 8.535 11.892 372 2HD1 LEU 53 2HD1 LEU 53 7.856 9.653 10.530 373 3HD1 LEU 53 3HD1 LEU 53 6.527 9.328 11.667 374 1HD2 LEU 53 1HD2 LEU 53 6.413 5.974 11.426 375 2HD2 LEU 53 2HD2 LEU 53 7.577 5.680 10.112 376 3HD2 LEU 53 3HD2 LEU 53 8.105 6.499 11.602 377 H CYS 54 H CYS 54 7.188 7.550 7.240 378 HA CYS 54 HA CYS 54 7.292 4.648 6.859 379 2HB CYS 54 2HB CYS 54 8.125 6.945 5.100 380 HG CYS 54 HG CYS 54 9.016 3.757 4.929 381 H ARG 55 H ARG 55 8.954 3.599 7.912 382 HA ARG 55 HA ARG 55 11.075 5.316 8.921 383 2HB ARG 55 2HB ARG 55 11.387 3.301 10.575 384 2HG ARG 55 2HG ARG 55 8.837 4.202 11.469 385 2HD ARG 55 2HD ARG 55 10.785 6.036 12.391 386 HE ARG 55 HE ARG 55 9.147 4.192 13.563 387 1HH1 ARG 55 2HH2 ARG 55 12.642 4.709 13.834 388 2HH1 ARG 55 1HH2 ARG 55 12.731 4.101 15.454 389 2HH2 ARG 55 1HH ARG 55 10.733 3.332 16.531 390 H ARG 56 H ARG 56 13.001 3.415 9.616 391 HA ARG 56 HA ARG 56 14.293 2.976 7.292 392 2HB ARG 56 2HB ARG 56 15.174 0.881 8.967 393 2HG ARG 56 2HG ARG 56 16.347 3.394 9.800 394 2HD ARG 56 2HD ARG 56 17.964 2.243 7.799 395 HE ARG 56 HE ARG 56 17.883 2.134 10.749 396 1HH1 ARG 56 2HH2 ARG 56 19.705 1.349 7.813 397 2HH1 ARG 56 1HH2 ARG 56 21.220 1.204 8.642 398 2HH2 ARG 56 1HH ARG 56 21.299 1.559 11.011 399 H GLY 57 H GLY 57 14.191 1.451 5.644 400 1HA GLY 57 1HA GLY 57 12.042 -0.186 5.241 401 2HA GLY 57 2HA GLY 57 13.618 -0.405 4.506 402 H ASP 58 H ASP 58 15.056 -0.851 7.076 403 HA ASP 58 HA ASP 58 14.845 -3.582 7.168 404 2HB ASP 58 2HB ASP 58 15.744 -2.220 9.671 405 HD2 ASP 58 HD ASP 58 17.612 -3.768 6.958 406 H THR 59 H THR 59 13.257 -0.962 9.031 407 HA THR 59 HA THR 59 11.928 -2.940 10.738 408 HB THR 59 HB THR 59 13.091 -0.386 11.179 409 HG1 THR 59 1HG THR 59 12.070 -0.923 13.320 410 1HG2 THR 59 1HG2 THR 59 10.772 0.482 10.342 411 2HG2 THR 59 2HG2 THR 59 10.104 -0.307 11.790 412 3HG2 THR 59 3HG2 THR 59 11.295 1.005 11.961 413 H LEU 60 H LEU 60 11.484 -1.941 7.707 414 HA LEU 60 HA LEU 60 8.969 -0.790 7.630 415 2HB LEU 60 2HB LEU 60 9.897 -2.781 5.591 416 HG LEU 60 HG LEU 60 7.790 -1.323 5.296 417 1HD1 LEU 60 1HD1 LEU 60 8.375 0.801 6.021 418 2HD1 LEU 60 2HD1 LEU 60 9.956 0.761 5.202 419 3HD1 LEU 60 3HD1 LEU 60 8.464 0.950 4.249 420 1HD2 LEU 60 1HD2 LEU 60 8.040 -1.920 3.176 421 2HD2 LEU 60 2HD2 LEU 60 9.271 -0.658 2.926 422 3HD2 LEU 60 3HD2 LEU 60 9.755 -2.272 3.502 423 H ASP 61 H ASP 61 9.984 -4.235 7.902 424 HA ASP 61 HA ASP 61 7.573 -5.405 7.506 425 2HB ASP 61 2HB ASP 61 9.802 -6.541 7.911 426 HD2 ASP 61 HD ASP 61 11.234 -5.426 10.940 427 H GLU 62 H GLU 62 9.039 -4.090 10.562 428 HA GLU 62 HA GLU 62 6.763 -4.740 12.103 429 2HB GLU 62 2HB GLU 62 8.546 -2.620 13.152 430 2HG GLU 62 2HG GLU 62 8.617 -5.290 14.389 431 HE2 GLU 62 HE GLU 62 7.033 -2.142 14.705 432 H ILE 63 H ILE 63 8.004 -1.819 10.417 433 HA ILE 63 HA ILE 63 6.173 -0.011 11.510 434 HB ILE 63 HB ILE 63 8.335 0.052 9.784 435 2HG1 ILE 63 2HG1 ILE 63 7.863 2.569 9.845 436 1HG2 ILE 63 1HG2 ILE 63 7.610 1.240 7.802 437 2HG2 ILE 63 2HG2 ILE 63 6.816 -0.352 7.880 438 3HG2 ILE 63 3HG2 ILE 63 5.910 1.118 8.313 439 1HD1 ILE 63 1HD1 ILE 63 5.839 1.901 11.970 440 2HD1 ILE 63 2HD1 ILE 63 6.029 3.391 11.014 441 3HD1 ILE 63 3HD1 ILE 63 5.289 1.949 10.278 442 H ILE 64 H ILE 64 5.857 -2.580 9.144 443 HA ILE 64 HA ILE 64 3.646 -1.554 7.751 444 HB ILE 64 HB ILE 64 4.831 -4.276 8.168 445 2HG1 ILE 64 2HG1 ILE 64 5.603 -2.273 6.554 446 1HG2 ILE 64 1HG2 ILE 64 2.211 -3.613 6.822 447 2HG2 ILE 64 2HG2 ILE 64 3.175 -5.045 6.387 448 3HG2 ILE 64 3HG2 ILE 64 2.557 -4.859 8.045 449 1HD1 ILE 64 1HD1 ILE 64 5.988 -4.534 4.932 450 2HD1 ILE 64 2HD1 ILE 64 7.074 -3.969 6.223 451 3HD1 ILE 64 3HD1 ILE 64 5.838 -5.199 6.576 452 H LYS 65 H LYS 65 3.937 -3.731 10.632 453 HA LYS 65 HA LYS 65 1.155 -4.003 10.953 454 2HB LYS 65 2HB LYS 65 2.838 -5.584 11.836 455 2HG LYS 65 2HG LYS 65 3.685 -3.130 13.302 456 2HD LYS 65 2HD LYS 65 3.613 -5.859 14.673 457 2HE LYS 65 2HE LYS 65 4.347 -3.573 16.327 458 1HZ LYS 65 1HZ LYS 65 6.153 -5.779 15.609 459 2HZ LYS 65 2HZ LYS 65 5.919 -5.088 17.065 460 H ARG 66 H ARG 66 3.569 -1.604 12.025 461 HA ARG 66 HA ARG 66 1.845 -0.423 13.899 462 2HB ARG 66 2HB ARG 66 3.569 1.556 13.554 463 2HG ARG 66 2HG ARG 66 5.424 0.012 14.617 464 2HD ARG 66 2HD ARG 66 2.785 0.904 15.660 465 HE ARG 66 HE ARG 66 4.065 -1.502 16.788 466 1HH1 ARG 66 2HH2 ARG 66 1.908 1.242 17.397 467 2HH1 ARG 66 1HH2 ARG 66 1.143 0.498 18.761 468 2HH2 ARG 66 1HH ARG 66 1.834 -1.693 19.443 469 H LEU 67 H LEU 67 2.548 0.012 10.418 470 HA LEU 67 HA LEU 67 1.186 2.498 10.198 471 2HB LEU 67 2HB LEU 67 1.280 1.782 7.700 472 HG LEU 67 HG LEU 67 4.074 1.816 8.647 473 1HD1 LEU 67 1HD1 LEU 67 4.079 2.427 6.483 474 2HD1 LEU 67 2HD1 LEU 67 2.398 3.012 6.530 475 3HD1 LEU 67 3HD1 LEU 67 3.715 4.042 7.138 476 1HD2 LEU 67 1HD2 LEU 67 3.977 4.142 9.456 477 2HD2 LEU 67 2HD2 LEU 67 2.199 4.077 9.391 478 3HD2 LEU 67 3HD2 LEU 67 3.089 3.016 10.510 479 H LEU 68 H LEU 68 0.348 -0.966 9.633 480 HA LEU 68 HA LEU 68 -2.090 -0.671 8.466 481 2HB LEU 68 2HB LEU 68 -0.645 -2.741 9.267 482 HG LEU 68 HG LEU 68 -1.511 -2.356 11.707 483 1HD1 LEU 68 1HD1 LEU 68 -3.811 -2.120 11.492 484 2HD1 LEU 68 2HD1 LEU 68 -3.943 -3.443 10.309 485 3HD1 LEU 68 3HD1 LEU 68 -3.629 -3.809 12.022 486 1HD2 LEU 68 1HD2 LEU 68 -0.653 -4.599 10.234 487 2HD2 LEU 68 2HD2 LEU 68 -0.597 -4.355 11.996 488 3HD2 LEU 68 3HD2 LEU 68 -2.002 -5.155 11.253 489 H GLU 69 H GLU 69 -1.271 -0.465 11.980 490 HA GLU 69 HA GLU 69 -3.831 -0.240 12.910 491 2HB GLU 69 2HB GLU 69 -2.846 0.705 14.919 492 2HG GLU 69 2HG GLU 69 -0.412 -0.766 14.186 493 HE2 GLU 69 HE GLU 69 -3.409 -0.681 16.345 494 H GLU 70 H GLU 70 -1.911 2.017 11.039 495 HA GLU 70 HA GLU 70 -3.618 4.218 11.804 496 2HB GLU 70 2HB GLU 70 -2.074 5.606 10.487 497 2HG GLU 70 2HG GLU 70 0.180 4.514 11.568 498 HE2 GLU 70 HE GLU 70 0.591 6.572 13.233 499 H SER 71 H SER 71 -2.813 2.112 9.000 500 HA SER 71 HA SER 71 -4.739 3.510 7.388 501 2HB SER 71 2HB SER 71 -4.028 1.715 5.673 502 HG SER 71 HG SER 71 -2.920 3.967 6.260 503 H ASN 72 H ASN 72 -4.119 0.004 8.178 504 HA ASN 72 HA ASN 72 -6.369 -1.089 7.381 505 2HB ASN 72 2HB ASN 72 -5.842 -1.991 10.137 506 1HD2 ASN 72 1HD2 ASN 72 -4.525 -2.532 6.867 507 2HD2 ASN 72 2HD2 ASN 72 -5.133 -4.139 6.648 508 H LYS 73 H LYS 73 -5.940 1.136 10.126 509 HA LYS 73 HA LYS 73 -8.253 0.605 11.556 510 2HB LYS 73 2HB LYS 73 -7.640 3.415 11.593 511 2HG LYS 73 2HG LYS 73 -6.460 2.259 13.816 512 2HD LYS 73 2HD LYS 73 -8.472 3.946 13.497 513 2HE LYS 73 2HE LYS 73 -10.082 1.532 14.359 514 1HZ LYS 73 1HZ LYS 73 -11.422 3.459 12.818 515 2HZ LYS 73 2HZ LYS 73 -11.639 3.129 14.397 516 H GLU 74 H GLU 74 -7.684 2.990 8.878 517 HA GLU 74 HA GLU 74 -10.508 3.473 8.781 518 2HB GLU 74 2HB GLU 74 -8.761 5.284 8.483 519 2HG GLU 74 2HG GLU 74 -7.331 3.750 6.931 520 HE2 GLU 74 HE GLU 74 -9.283 5.332 3.964 521 H GLY 75 H GLY 75 -8.705 0.926 7.827 522 1HA GLY 75 1HA GLY 75 -10.215 0.568 5.307 523 2HA GLY 75 2HA GLY 75 -8.575 -0.003 5.546 524 H ILE 76 H ILE 76 -9.856 -2.077 4.850 525 HA ILE 76 HA ILE 76 -11.299 -3.253 7.080 526 HB ILE 76 HB ILE 76 -12.145 -3.349 4.742 527 2HG1 ILE 76 2HG1 ILE 76 -13.257 -5.239 5.235 528 1HG2 ILE 76 1HG2 ILE 76 -9.916 -3.660 3.665 529 2HG2 ILE 76 2HG2 ILE 76 -9.902 -5.331 4.279 530 3HG2 ILE 76 3HG2 ILE 76 -11.155 -4.818 3.124 531 1HD1 ILE 76 1HD1 ILE 76 -11.602 -6.766 4.282 532 2HD1 ILE 76 2HD1 ILE 76 -10.546 -6.563 5.702 533 3HD1 ILE 76 3HD1 ILE 76 -12.110 -7.396 5.867 534 H HIS 77 H HIS 77 -10.731 -5.581 7.674 535 HA HIS 77 HA HIS 77 -8.184 -5.652 8.692 536 2HB HIS 77 2HB HIS 77 -9.020 -8.327 8.379 537 HD1 HIS 77 1HD HIS 77 -8.408 -9.258 10.606 538 HD2 HIS 77 2HD HIS 77 -9.885 -5.343 10.897 539 HE1 HIS 77 1HE HIS 77 -8.274 -8.626 13.074 540 H VAL 78 H VAL 78 -6.464 -5.276 7.310 541 HA VAL 78 HA VAL 78 -6.000 -7.395 5.350 542 HB VAL 78 HB VAL 78 -5.660 -4.436 4.823 543 1HG1 VAL 78 1HG1 VAL 78 -5.067 -6.899 3.163 544 2HG1 VAL 78 2HG1 VAL 78 -5.241 -5.274 2.459 545 3HG1 VAL 78 3HG1 VAL 78 -3.953 -5.596 3.645 546 1HG2 VAL 78 1HG2 VAL 78 -8.049 -5.420 4.867 547 2HG2 VAL 78 2HG2 VAL 78 -7.546 -4.494 3.433 548 3HG2 VAL 78 3HG2 VAL 78 -7.573 -6.274 3.380 549 H ILE 79 H ILE 79 -3.783 -7.922 5.059 550 HA ILE 79 HA ILE 79 -2.055 -6.698 7.095 551 HB ILE 79 HB ILE 79 -1.027 -8.737 7.438 552 2HG1 ILE 79 2HG1 ILE 79 -0.378 -9.657 5.456 553 1HG2 ILE 79 1HG2 ILE 79 -3.903 -9.491 6.854 554 2HG2 ILE 79 2HG2 ILE 79 -2.785 -10.300 7.979 555 3HG2 ILE 79 3HG2 ILE 79 -3.341 -8.642 8.316 556 1HD1 ILE 79 1HD1 ILE 79 -1.515 -11.453 6.856 557 2HD1 ILE 79 2HD1 ILE 79 -2.964 -11.226 5.847 558 3HD1 ILE 79 3HD1 ILE 79 -1.449 -11.805 5.113 559 H HIS 80 H HIS 80 -2.312 -5.191 4.852 560 HA HIS 80 HA HIS 80 -0.308 -6.019 2.955 561 2HB HIS 80 2HB HIS 80 -1.967 -4.993 1.789 562 HD1 HIS 80 1HD HIS 80 -4.181 -3.712 1.701 563 HD2 HIS 80 2HD HIS 80 -2.024 -3.055 5.238 564 HE1 HIS 80 1HE HIS 80 -5.751 -2.458 3.272 565 H ASP 81 H ASP 81 1.599 -4.699 2.449 566 HA ASP 81 HA ASP 81 2.509 -3.323 4.850 567 2HB ASP 81 2HB ASP 81 4.107 -4.974 4.605 568 HD2 ASP 81 HD ASP 81 4.408 -7.204 2.103 569 H SER 82 H SER 82 4.272 -1.555 4.254 570 HA SER 82 HA SER 82 3.108 0.358 2.709 571 2HB SER 82 2HB SER 82 5.470 1.401 2.714 572 HG SER 82 HG SER 82 4.479 2.110 4.499 573 H ILE 83 H ILE 83 5.106 -2.393 1.784 574 HA ILE 83 HA ILE 83 5.919 -1.332 -0.730 575 HB ILE 83 HB ILE 83 5.817 -4.214 0.152 576 2HG1 ILE 83 2HG1 ILE 83 6.940 -2.963 1.892 577 1HG2 ILE 83 1HG2 ILE 83 8.048 -3.321 -1.507 578 2HG2 ILE 83 2HG2 ILE 83 6.954 -4.712 -1.700 579 3HG2 ILE 83 3HG2 ILE 83 6.467 -3.107 -2.296 580 1HD1 ILE 83 1HD1 ILE 83 9.391 -3.795 1.396 581 2HD1 ILE 83 2HD1 ILE 83 8.089 -4.995 1.580 582 3HD1 ILE 83 3HD1 ILE 83 8.654 -4.537 -0.045 583 H THR 84 H THR 84 3.291 -3.512 0.446 584 HA THR 84 HA THR 84 2.236 -3.816 -2.214 585 HB THR 84 HB THR 84 1.734 -4.837 0.562 586 HG1 THR 84 1HG THR 84 1.461 -6.744 -0.953 587 1HG2 THR 84 1HG2 THR 84 -0.399 -5.909 -0.810 588 2HG2 THR 84 2HG2 THR 84 -0.556 -4.565 0.348 589 3HG2 THR 84 3HG2 THR 84 -0.446 -4.229 -1.397 590 H LEU 85 H LEU 85 1.715 -1.696 0.590 591 HA LEU 85 HA LEU 85 -0.806 -0.760 -0.096 592 2HB LEU 85 2HB LEU 85 0.576 1.376 1.051 593 HG LEU 85 HG LEU 85 -1.561 0.679 1.915 594 1HD1 LEU 85 1HD1 LEU 85 -0.181 -1.889 2.741 595 2HD1 LEU 85 2HD1 LEU 85 -1.821 -1.402 3.236 596 3HD1 LEU 85 3HD1 LEU 85 -1.461 -1.699 1.519 597 1HD2 LEU 85 1HD2 LEU 85 -0.599 1.854 3.609 598 2HD2 LEU 85 2HD2 LEU 85 -0.787 0.286 4.432 599 3HD2 LEU 85 3HD2 LEU 85 0.789 0.748 3.746 600 H ALA 86 H ALA 86 2.487 0.289 -1.140 601 HA ALA 86 HA ALA 86 1.574 2.474 -2.655 602 1HB ALA 86 1HB ALA 86 3.974 1.641 -1.772 603 2HB ALA 86 2HB ALA 86 4.058 0.995 -3.429 604 3HB ALA 86 3HB ALA 86 3.800 2.737 -3.164 605 H PHE 87 H PHE 87 2.023 -1.021 -3.323 606 HA PHE 87 HA PHE 87 1.638 -0.754 -6.117 607 2HB PHE 87 2HB PHE 87 0.873 -3.312 -4.802 608 HD1 PHE 87 1HD PHE 87 4.373 -2.672 -5.539 609 HD2 PHE 87 2HD PHE 87 0.664 -3.917 -7.184 610 HE1 PHE 87 1HE PHE 87 5.572 -3.614 -7.533 611 HE2 PHE 87 2HE PHE 87 1.864 -4.858 -9.178 612 HZ PHE 87 HZ PHE 87 4.303 -4.695 -9.328 613 H LEU 88 H LEU 88 -0.473 -1.828 -3.365 614 HA LEU 88 HA LEU 88 -2.718 -2.284 -4.993 615 2HB LEU 88 2HB LEU 88 -3.831 -1.910 -2.613 616 HG LEU 88 HG LEU 88 -3.789 -4.117 -3.536 617 1HD1 LEU 88 1HD1 LEU 88 -0.861 -3.761 -3.415 618 2HD1 LEU 88 2HD1 LEU 88 -1.450 -5.383 -2.977 619 3HD1 LEU 88 3HD1 LEU 88 -1.869 -4.680 -4.558 620 1HD2 LEU 88 1HD2 LEU 88 -4.316 -4.570 -1.398 621 2HD2 LEU 88 2HD2 LEU 88 -2.705 -5.328 -1.359 622 3HD2 LEU 88 3HD2 LEU 88 -2.923 -3.671 -0.749 623 H ILE 89 H ILE 89 -1.415 0.590 -3.301 624 HA ILE 89 HA ILE 89 -3.747 2.152 -3.740 625 HB ILE 89 HB ILE 89 -0.917 2.772 -2.921 626 2HG1 ILE 89 2HG1 ILE 89 -2.657 1.550 -1.420 627 1HG2 ILE 89 1HG2 ILE 89 -1.208 4.895 -3.497 628 2HG2 ILE 89 2HG2 ILE 89 -2.888 4.591 -4.000 629 3HG2 ILE 89 3HG2 ILE 89 -2.524 4.983 -2.303 630 1HD1 ILE 89 1HD1 ILE 89 -0.452 3.030 -0.865 631 2HD1 ILE 89 2HD1 ILE 89 -1.681 4.034 -0.061 632 3HD1 ILE 89 3HD1 ILE 89 -1.481 2.328 0.407 633 H ARG 90 H ARG 90 -0.514 1.875 -5.351 634 HA ARG 90 HA ARG 90 -0.628 3.799 -7.135 635 2HB ARG 90 2HB ARG 90 0.159 1.597 -8.725 636 2HG ARG 90 2HG ARG 90 2.002 2.856 -6.672 637 2HD ARG 90 2HD ARG 90 2.414 2.501 -9.665 638 HE ARG 90 HE ARG 90 4.143 3.137 -7.357 639 1HH1 ARG 90 2HH2 ARG 90 4.003 2.130 -10.751 640 2HH1 ARG 90 1HH2 ARG 90 5.633 2.610 -11.089 641 2HH2 ARG 90 1HH ARG 90 6.960 3.571 -9.341 642 H GLU 91 H GLU 91 -2.514 0.734 -7.241 643 HA GLU 91 HA GLU 91 -3.498 1.076 -9.817 644 2HB GLU 91 2HB GLU 91 -5.457 -0.346 -8.368 645 2HG GLU 91 2HG GLU 91 -3.893 -2.347 -9.159 646 HE2 GLU 91 HE GLU 91 -5.257 -0.934 -12.533 647 H LYS 92 H LYS 92 -4.717 2.094 -6.576 648 HA LYS 92 HA LYS 92 -7.019 3.344 -7.819 649 2HB LYS 92 2HB LYS 92 -6.871 2.015 -5.541 650 2HG LYS 92 2HG LYS 92 -6.795 4.700 -4.279 651 2HD LYS 92 2HD LYS 92 -5.266 3.291 -2.697 652 2HE LYS 92 2HE LYS 92 -8.056 2.145 -3.105 653 1HZ LYS 92 1HZ LYS 92 -6.462 2.808 -0.686 654 2HZ LYS 92 2HZ LYS 92 -7.961 2.172 -0.668 655 H ALA 93 H ALA 93 -3.795 4.071 -7.573 656 HA ALA 93 HA ALA 93 -4.231 6.799 -8.148 657 1HB ALA 93 1HB ALA 93 -3.867 7.842 -6.173 658 2HB ALA 93 2HB ALA 93 -4.275 6.278 -5.428 659 3HB ALA 93 3HB ALA 93 -2.572 6.710 -5.714 660 H SER 94 H SER 94 -3.067 5.831 -9.991 661 HA SER 94 HA SER 94 -0.456 4.839 -9.525 662 2HB SER 94 2HB SER 94 -1.543 3.939 -11.430 663 HG SER 94 HG SER 94 -2.033 6.661 -12.300 664 H HIS 95 H HIS 95 -1.702 7.894 -9.224 665 HA HIS 95 HA HIS 95 0.377 9.297 -10.635 666 2HB HIS 95 2HB HIS 95 -0.741 11.306 -9.580 667 HD1 HIS 95 1HD HIS 95 -1.300 12.183 -11.861 668 HD2 HIS 95 2HD HIS 95 -3.365 8.642 -10.969 669 HE1 HIS 95 1HE HIS 95 -2.912 11.786 -13.800 670 H ARG 96 H ARG 96 -0.654 10.258 -7.368 671 HA ARG 96 HA ARG 96 2.125 10.130 -6.611 672 2HB ARG 96 2HB ARG 96 1.483 11.621 -4.760 673 2HG ARG 96 2HG ARG 96 -0.285 12.821 -6.821 674 2HD ARG 96 2HD ARG 96 2.304 13.544 -5.392 675 HE ARG 96 HE ARG 96 1.312 14.673 -7.902 676 1HH1 ARG 96 2HH2 ARG 96 3.050 15.413 -4.904 677 2HH1 ARG 96 1HH2 ARG 96 3.873 16.783 -5.573 678 2HH2 ARG 96 1HH ARG 96 3.473 17.392 -7.857 679 H ILE 97 H ILE 97 2.823 8.317 -5.524 680 HA ILE 97 HA ILE 97 0.876 7.016 -3.748 681 HB ILE 97 HB ILE 97 3.123 5.548 -5.080 682 2HG1 ILE 97 2HG1 ILE 97 0.872 6.758 -6.444 683 1HG2 ILE 97 1HG2 ILE 97 0.902 3.913 -4.860 684 2HG2 ILE 97 2HG2 ILE 97 2.293 3.963 -3.751 685 3HG2 ILE 97 3HG2 ILE 97 0.831 4.912 -3.388 686 1HD1 ILE 97 1HD1 ILE 97 3.126 4.910 -7.358 687 2HD1 ILE 97 2HD1 ILE 97 2.099 5.903 -8.420 688 3HD1 ILE 97 3HD1 ILE 97 3.215 6.686 -7.275 689 H VAL 98 H VAL 98 2.169 5.570 -2.066 690 HA VAL 98 HA VAL 98 4.116 7.398 -0.887 691 HB VAL 98 HB VAL 98 2.309 6.931 0.547 692 1HG1 VAL 98 1HG1 VAL 98 1.208 5.084 -0.400 693 2HG1 VAL 98 2HG1 VAL 98 2.659 4.056 -0.314 694 3HG1 VAL 98 3HG1 VAL 98 1.784 4.486 1.175 695 1HG2 VAL 98 1HG2 VAL 98 4.732 6.665 1.431 696 2HG2 VAL 98 2HG2 VAL 98 3.385 6.116 2.456 697 3HG2 VAL 98 3HG2 VAL 98 4.342 4.931 1.535 698 H HIS 99 H HIS 99 6.257 6.884 -0.683 699 HA HIS 99 HA HIS 99 7.007 4.262 -1.728 700 2HB HIS 99 2HB HIS 99 8.862 6.609 -1.342 701 HD1 HIS 99 1HD HIS 99 11.064 6.278 -2.613 702 HD2 HIS 99 2HD HIS 99 8.312 3.171 -3.211 703 HE1 HIS 99 1HE HIS 99 12.335 4.419 -3.813 704 H ARG 100 H ARG 100 9.469 3.810 -0.684 705 HA ARG 100 HA ARG 100 9.298 4.254 2.149 706 2HB ARG 100 2HB ARG 100 8.070 2.157 1.963 707 2HG ARG 100 2HG ARG 100 9.482 1.737 -0.366 708 2HD ARG 100 2HD ARG 100 10.384 -0.619 1.235 709 HE ARG 100 HE ARG 100 10.834 0.155 -1.323 710 1HH1 ARG 100 2HH2 ARG 100 13.052 0.046 1.437 711 2HH1 ARG 100 1HH2 ARG 100 14.454 -0.234 0.458 712 2HH2 ARG 100 1HH ARG 100 14.212 -0.382 -1.922 713 H VAL 101 H VAL 101 11.322 5.090 2.568 714 HA VAL 101 HA VAL 101 13.569 3.951 1.063 715 HB VAL 101 HB VAL 101 13.369 6.250 0.621 716 1HG1 VAL 101 1HG1 VAL 101 11.969 7.312 2.060 717 2HG1 VAL 101 2HG1 VAL 101 12.580 6.432 3.482 718 3HG1 VAL 101 3HG1 VAL 101 13.500 7.806 2.823 719 1HG2 VAL 101 1HG2 VAL 101 15.373 6.413 2.848 720 2HG2 VAL 101 2HG2 VAL 101 15.649 5.264 1.517 721 3HG2 VAL 101 3HG2 VAL 101 15.478 7.003 1.172 722 H VAL 102 H VAL 102 15.531 3.416 2.210 723 HA VAL 102 HA VAL 102 15.076 3.027 5.088 724 HB VAL 102 HB VAL 102 14.887 0.923 3.934 725 1HG1 VAL 102 1HG1 VAL 102 17.127 1.975 2.364 726 2HG1 VAL 102 2HG1 VAL 102 17.376 0.294 2.892 727 3HG1 VAL 102 3HG1 VAL 102 15.925 0.726 1.955 728 1HG2 VAL 102 1HG2 VAL 102 17.041 -0.213 4.906 729 2HG2 VAL 102 2HG2 VAL 102 17.360 1.404 5.577 730 3HG2 VAL 102 3HG2 VAL 102 15.860 0.544 6.003 731 H LYS 103 H LYS 103 16.114 5.024 5.600 732 HA LYS 103 HA LYS 103 18.855 4.829 5.987 733 2HB LYS 103 2HB LYS 103 18.405 6.923 3.899 734 2HG LYS 103 2HG LYS 103 20.631 5.501 5.240 735 2HD LYS 103 2HD LYS 103 20.308 5.104 2.404 736 2HE LYS 103 2HE LYS 103 21.612 7.522 2.775 737 1HZ LYS 103 1HZ LYS 103 23.579 5.329 2.893 738 2HZ LYS 103 2HZ LYS 103 23.980 6.719 2.145 739 H SER 104 H SER 104 16.034 6.982 5.377 740 HA SER 104 HA SER 104 16.714 8.277 7.886 741 2HB SER 104 2HB SER 104 17.452 9.740 5.994 742 HG SER 104 HG SER 104 14.951 10.614 5.269 743 H ASP 105 H ASP 105 14.636 9.826 8.448 744 HA ASP 105 HA ASP 105 12.419 7.987 8.295 745 2HB ASP 105 2HB ASP 105 12.626 10.601 9.855 746 HD2 ASP 105 HD ASP 105 11.814 9.422 12.155 747 H PHE 106 H PHE 106 10.489 8.509 7.169 748 HA PHE 106 HA PHE 106 10.142 11.248 6.265 749 2HB PHE 106 2HB PHE 106 9.545 9.228 4.186 750 HD1 PHE 106 1HD PHE 106 8.959 12.057 4.243 751 HD2 PHE 106 2HD PHE 106 12.526 10.093 3.047 752 HE1 PHE 106 1HE PHE 106 9.527 13.995 2.752 753 HE2 PHE 106 2HE PHE 106 13.094 12.032 1.558 754 HZ PHE 106 HZ PHE 106 11.588 13.959 1.428 755 H GLU 107 H GLU 107 7.994 11.858 6.215 756 HA GLU 107 HA GLU 107 6.124 9.710 6.823 757 2HB GLU 107 2HB GLU 107 4.673 11.564 7.736 758 2HG GLU 107 2HG GLU 107 7.509 11.317 8.843 759 HE2 GLU 107 HE GLU 107 5.227 11.044 11.151 760 H ILE 108 H ILE 108 4.118 9.557 5.672 761 HA ILE 108 HA ILE 108 3.839 11.366 3.396 762 HB ILE 108 HB ILE 108 3.374 8.460 2.947 763 2HG1 ILE 108 2HG1 ILE 108 6.065 9.736 3.289 764 1HG2 ILE 108 1HG2 ILE 108 4.642 9.718 0.772 765 2HG2 ILE 108 2HG2 ILE 108 2.928 9.265 0.929 766 3HG2 ILE 108 3HG2 ILE 108 3.465 10.893 1.407 767 1HD1 ILE 108 1HD1 ILE 108 5.472 8.211 5.029 768 2HD1 ILE 108 2HD1 ILE 108 4.744 7.062 3.881 769 3HD1 ILE 108 3HD1 ILE 108 6.512 7.268 3.934 770 H GLY 109 H GLY 109 1.719 11.908 2.929 771 1HA GLY 109 1HA GLY 109 -0.426 10.354 4.156 772 2HA GLY 109 2HA GLY 109 -0.223 12.002 4.717 773 H VAL 110 H VAL 110 -2.487 10.786 3.190 774 HA VAL 110 HA VAL 110 -2.504 12.753 1.041 775 HB VAL 110 HB VAL 110 -2.184 9.952 0.650 776 1HG1 VAL 110 1HG1 VAL 110 -4.084 9.325 -0.661 777 2HG1 VAL 110 2HG1 VAL 110 -4.696 9.920 0.901 778 3HG1 VAL 110 3HG1 VAL 110 -4.785 10.958 -0.542 779 1HG2 VAL 110 1HG2 VAL 110 -1.947 10.570 -1.661 780 2HG2 VAL 110 2HG2 VAL 110 -2.829 12.094 -1.399 781 3HG2 VAL 110 3HG2 VAL 110 -1.222 11.858 -0.668 782 H THR 111 H THR 111 -4.749 13.236 0.307 783 HA THR 111 HA THR 111 -6.676 12.618 2.450 784 HB THR 111 HB THR 111 -7.489 14.886 2.210 785 HG1 THR 111 1HG THR 111 -5.594 14.959 -0.030 786 1HG2 THR 111 1HG2 THR 111 -5.570 16.269 2.661 787 2HG2 THR 111 2HG2 THR 111 -5.126 14.662 3.284 788 3HG2 THR 111 3HG2 THR 111 -4.496 15.212 1.714 789 H ARG 112 H ARG 112 -5.895 12.483 -0.944 790 HA ARG 112 HA ARG 112 -8.486 11.274 -1.340 791 2HB ARG 112 2HB ARG 112 -9.220 12.786 -2.892 792 2HG ARG 112 2HG ARG 112 -6.785 14.308 -1.857 793 2HD ARG 112 2HD ARG 112 -7.714 15.106 -4.141 794 HE ARG 112 HE ARG 112 -10.192 14.890 -2.880 795 1HH1 ARG 112 2HH2 ARG 112 -8.394 17.534 -4.407 796 2HH1 ARG 112 1HH2 ARG 112 -9.820 18.391 -4.891 797 2HH2 ARG 112 1HH ARG 112 -11.972 17.481 -4.358 798 H ASP 113 H ASP 113 -5.340 12.189 -2.931 799 HA ASP 113 HA ASP 113 -4.175 9.873 -3.158 800 2HB ASP 113 2HB ASP 113 -5.071 9.424 -5.755 801 HD2 ASP 113 HD ASP 113 -4.116 7.467 -3.405 802 H GLY 114 H GLY 114 -5.312 12.827 -4.696 803 1HA GLY 114 1HA GLY 114 -3.294 12.948 -6.745 804 2HA GLY 114 2HA GLY 114 -4.429 14.199 -6.278 805 H GLU 115 H GLU 115 -4.011 15.176 -3.963 806 HA GLU 115 HA GLU 115 -1.241 15.930 -3.980 807 2HB GLU 115 2HB GLU 115 -1.900 17.760 -2.588 808 2HG GLU 115 2HG GLU 115 -4.534 17.811 -3.792 809 HE2 GLU 115 HE GLU 115 -1.332 19.730 -5.167 810 H ILE 116 H ILE 116 0.283 15.429 -2.393 811 HA ILE 116 HA ILE 116 -0.705 13.786 -0.169 812 HB ILE 116 HB ILE 116 0.920 12.209 -0.456 813 2HG1 ILE 116 2HG1 ILE 116 2.499 14.400 -1.738 814 1HG2 ILE 116 1HG2 ILE 116 0.775 12.887 -3.366 815 2HG2 ILE 116 2HG2 ILE 116 0.570 11.323 -2.539 816 3HG2 ILE 116 3HG2 ILE 116 -0.731 12.537 -2.484 817 1HD1 ILE 116 1HD1 ILE 116 4.176 12.713 -0.335 818 2HD1 ILE 116 2HD1 ILE 116 3.375 14.144 0.358 819 3HD1 ILE 116 3HD1 ILE 116 2.650 12.531 0.564 820 H ILE 117 H ILE 117 1.142 13.661 1.601 821 HA ILE 117 HA ILE 117 2.448 16.276 1.765 822 HB ILE 117 HB ILE 117 1.800 16.220 4.236 823 2HG1 ILE 117 2HG1 ILE 117 0.738 13.773 3.648 824 1HG2 ILE 117 1HG2 ILE 117 0.321 17.826 3.746 825 2HG2 ILE 117 2HG2 ILE 117 0.740 17.484 2.051 826 3HG2 ILE 117 3HG2 ILE 117 -0.699 16.733 2.780 827 1HD1 ILE 117 1HD1 ILE 117 0.193 13.772 5.882 828 2HD1 ILE 117 2HD1 ILE 117 1.090 15.309 5.879 829 3HD1 ILE 117 3HD1 ILE 117 -0.686 15.315 5.772 830 H VAL 118 H VAL 118 4.482 16.252 2.740 831 HA VAL 118 HA VAL 118 5.378 13.603 3.638 832 HB VAL 118 HB VAL 118 7.503 14.005 2.573 833 1HG1 VAL 118 1HG1 VAL 118 6.808 13.232 0.575 834 2HG1 VAL 118 2HG1 VAL 118 5.176 13.351 1.275 835 3HG1 VAL 118 3HG1 VAL 118 5.806 14.667 0.256 836 1HG2 VAL 118 1HG2 VAL 118 8.220 15.964 1.691 837 2HG2 VAL 118 2HG2 VAL 118 6.618 16.380 1.032 838 3HG2 VAL 118 3HG2 VAL 118 6.973 16.659 2.755 839 H ASP 119 H ASP 119 7.086 13.641 5.271 840 HA ASP 119 HA ASP 119 7.888 16.100 6.364 841 2HB ASP 119 2HB ASP 119 6.197 14.465 8.270 842 HD2 ASP 119 HD ASP 119 5.903 18.161 9.292 843 H LEU 120 H LEU 120 9.991 15.480 6.884 844 HA LEU 120 HA LEU 120 10.519 12.722 7.534 845 2HB LEU 120 2HB LEU 120 12.896 13.578 7.594 846 HG LEU 120 HG LEU 120 11.302 13.049 5.347 847 1HD1 LEU 120 1HD1 LEU 120 12.547 14.629 3.693 848 2HD1 LEU 120 2HD1 LEU 120 11.090 15.204 4.539 849 3HD1 LEU 120 3HD1 LEU 120 12.703 15.694 5.111 850 1HD2 LEU 120 1HD2 LEU 120 14.174 13.400 4.827 851 2HD2 LEU 120 2HD2 LEU 120 13.801 12.429 6.271 852 3HD2 LEU 120 3HD2 LEU 120 13.142 11.957 4.686 853 H ASN 121 H ASN 121 8.816 13.566 9.452 854 HA ASN 121 HA ASN 121 8.540 14.078 11.565 855 2HB ASN 121 2HB ASN 121 11.101 12.409 11.773 856 1HD2 ASN 121 1HD2 ASN 121 10.810 10.912 13.736 857 2HD2 ASN 121 2HD2 ASN 121 10.396 11.676 15.235 858 H SER 122 H SER 122 9.834 16.238 10.279 859 HA SER 122 HA SER 122 10.945 17.574 12.427 860 2HB SER 122 2HB SER 122 12.961 16.595 10.361 861 HG SER 122 HG SER 122 13.442 18.395 12.573 Start of MODEL 14 1 H MET 1 H MET 1 0.260 -3.769 -17.993 2 HA MET 1 HA MET 1 -0.301 -5.846 -18.393 3 2HB MET 1 2HB MET 1 1.380 -6.992 -20.095 4 2HG MET 1 2HG MET 1 0.097 -4.264 -20.575 5 1HE MET 1 1HE MET 1 -1.187 -4.812 -23.034 6 2HE MET 1 2HE MET 1 -0.138 -3.426 -23.416 7 3HE MET 1 3HE MET 1 -0.162 -4.847 -24.489 8 H ARG 2 H ARG 2 3.192 -5.640 -17.503 9 HA ARG 2 HA ARG 2 2.986 -8.303 -16.404 10 2HB ARG 2 2HB ARG 2 4.967 -7.649 -17.841 11 2HG ARG 2 2HG ARG 2 5.843 -6.013 -15.425 12 2HD ARG 2 2HD ARG 2 6.855 -5.853 -18.287 13 HE ARG 2 HE ARG 2 7.569 -4.576 -15.821 14 1HH1 ARG 2 2HH2 ARG 2 9.098 -6.105 -18.628 15 2HH1 ARG 2 1HH2 ARG 2 10.555 -5.178 -18.495 16 2HH2 ARG 2 1HH ARG 2 10.764 -3.565 -16.734 17 H GLU 3 H GLU 3 4.381 -8.510 -14.198 18 HA GLU 3 HA GLU 3 3.595 -6.253 -12.523 19 2HB GLU 3 2HB GLU 3 3.644 -8.540 -10.867 20 2HG GLU 3 2HG GLU 3 2.060 -6.639 -10.686 21 HE2 GLU 3 HE GLU 3 0.387 -5.322 -13.076 22 H ARG 4 H ARG 4 4.909 -6.111 -10.439 23 HA ARG 4 HA ARG 4 7.177 -7.557 -10.031 24 2HB ARG 4 2HB ARG 4 8.107 -4.932 -11.177 25 2HG ARG 4 2HG ARG 4 9.468 -7.465 -11.880 26 2HD ARG 4 2HD ARG 4 11.193 -5.904 -10.362 27 HE ARG 4 HE ARG 4 10.947 -6.561 -13.069 28 1HH1 ARG 4 2HH2 ARG 4 11.987 -3.698 -11.259 29 2HH1 ARG 4 1HH2 ARG 4 13.077 -3.161 -12.493 30 2HH2 ARG 4 1HH ARG 4 13.294 -4.443 -14.507 31 H GLY 5 H GLY 5 5.811 -6.996 -8.031 32 1HA GLY 5 1HA GLY 5 7.018 -4.696 -6.697 33 2HA GLY 5 2HA GLY 5 5.273 -4.687 -6.863 34 H TRP 6 H TRP 6 4.286 -7.082 -6.345 35 HA TRP 6 HA TRP 6 5.257 -7.637 -3.649 36 2HB TRP 6 2HB TRP 6 3.116 -7.697 -3.142 37 HD1 TRP 6 HD TRP 6 2.372 -5.271 -4.175 38 HE1 TRP 6 1HE TRP 6 0.784 -4.518 -6.144 39 HE3 TRP 6 3HE TRP 6 2.202 -9.805 -6.472 40 HZ2 TRP 6 2HZ TRP 6 -0.338 -5.873 -8.391 41 HZ3 TRP 6 3HZ TRP 6 0.836 -10.004 -8.549 42 HH2 TRP 6 HH TRP 6 -0.406 -8.132 -9.510 43 H SER 7 H SER 7 7.000 -8.492 -5.674 44 HA SER 7 HA SER 7 6.325 -11.201 -6.300 45 2HB SER 7 2HB SER 7 8.980 -10.878 -7.017 46 HG SER 7 HG SER 7 7.351 -9.698 -8.902 47 H GLN 8 H GLN 8 6.128 -11.619 -3.825 48 HA GLN 8 HA GLN 8 6.895 -12.415 -1.949 49 2HB GLN 8 2HB GLN 8 9.349 -13.688 -2.911 50 2HG GLN 8 2HG GLN 8 6.708 -14.417 -1.705 51 1HE2 GLN 8 1HE2 GLN 8 8.546 -17.016 -1.439 52 2HE2 GLN 8 2HE2 GLN 8 7.959 -18.030 -2.716 53 H LYS 9 H LYS 9 7.483 -9.851 -1.856 54 HA LYS 9 HA LYS 9 10.229 -9.218 -1.791 55 2HB LYS 9 2HB LYS 9 8.209 -7.657 -0.229 56 2HG LYS 9 2HG LYS 9 10.804 -7.192 -1.057 57 2HD LYS 9 2HD LYS 9 9.004 -5.669 -2.990 58 2HE LYS 9 2HE LYS 9 11.638 -5.220 -2.078 59 1HZ LYS 9 1HZ LYS 9 12.917 -6.468 -3.426 60 2HZ LYS 9 2HZ LYS 9 11.659 -6.999 -4.313 61 H LYS 10 H LYS 10 7.929 -9.210 1.016 62 HA LYS 10 HA LYS 10 9.950 -10.688 2.524 63 2HB LYS 10 2HB LYS 10 8.659 -8.112 3.472 64 2HG LYS 10 2HG LYS 10 9.573 -10.274 4.985 65 2HD LYS 10 2HD LYS 10 11.790 -8.210 4.627 66 2HE LYS 10 2HE LYS 10 12.640 -10.089 6.516 67 1HZ LYS 10 1HZ LYS 10 12.314 -7.345 6.351 68 2HZ LYS 10 2HZ LYS 10 11.583 -7.758 7.746 69 H ILE 11 H ILE 11 6.970 -9.016 3.644 70 HA ILE 11 HA ILE 11 5.988 -11.566 4.573 71 HB ILE 11 HB ILE 11 4.671 -8.869 4.828 72 2HG1 ILE 11 2HG1 ILE 11 7.095 -8.824 5.547 73 1HG2 ILE 11 1HG2 ILE 11 4.165 -10.214 7.121 74 2HG2 ILE 11 2HG2 ILE 11 3.108 -10.241 5.689 75 3HG2 ILE 11 3HG2 ILE 11 4.262 -11.567 5.968 76 1HD1 ILE 11 1HD1 ILE 11 6.409 -8.076 7.989 77 2HD1 ILE 11 2HD1 ILE 11 5.809 -7.157 6.587 78 3HD1 ILE 11 3HD1 ILE 11 4.751 -8.338 7.396 79 H ALA 12 H ALA 12 6.180 -10.531 1.590 80 HA ALA 12 HA ALA 12 3.742 -10.086 0.507 81 1HB ALA 12 1HB ALA 12 6.322 -10.941 -0.344 82 2HB ALA 12 2HB ALA 12 5.139 -12.039 -1.096 83 3HB ALA 12 3HB ALA 12 5.003 -10.281 -1.342 84 H ARG 13 H ARG 13 4.998 -13.090 1.950 85 HA ARG 13 HA ARG 13 3.225 -14.853 0.852 86 2HB ARG 13 2HB ARG 13 3.551 -15.902 3.361 87 2HG ARG 13 2HG ARG 13 6.085 -15.821 1.786 88 2HD ARG 13 2HD ARG 13 5.684 -18.322 1.849 89 HE ARG 13 HE ARG 13 6.547 -16.793 3.936 90 1HH1 ARG 13 2HH2 ARG 13 4.397 -19.608 3.858 91 2HH1 ARG 13 1HH2 ARG 13 4.831 -20.139 5.448 92 2HH2 ARG 13 1HH ARG 13 6.436 -18.881 6.709 93 H GLU 14 H GLU 14 2.994 -13.126 4.057 94 HA GLU 14 HA GLU 14 0.455 -14.030 4.638 95 2HB GLU 14 2HB GLU 14 0.756 -11.454 5.817 96 2HG GLU 14 2HG GLU 14 1.441 -14.275 6.756 97 HE2 GLU 14 HE GLU 14 2.838 -12.956 9.602 98 H LEU 15 H LEU 15 1.608 -11.453 2.510 99 HA LEU 15 HA LEU 15 -0.829 -10.015 2.416 100 2HB LEU 15 2HB LEU 15 0.330 -9.256 0.172 101 HG LEU 15 HG LEU 15 0.213 -7.990 2.438 102 1HD1 LEU 15 1HD1 LEU 15 3.101 -8.904 2.525 103 2HD1 LEU 15 2HD1 LEU 15 2.322 -7.731 3.614 104 3HD1 LEU 15 3HD1 LEU 15 1.810 -9.435 3.629 105 1HD2 LEU 15 1HD2 LEU 15 0.889 -6.315 1.152 106 2HD2 LEU 15 2HD2 LEU 15 2.576 -6.874 1.256 107 3HD2 LEU 15 3HD2 LEU 15 1.510 -7.493 -0.028 108 H LYS 16 H LYS 16 0.686 -12.587 0.373 109 HA LYS 16 HA LYS 16 -1.296 -12.651 -1.567 110 2HB LYS 16 2HB LYS 16 -0.392 -15.221 -1.508 111 2HG LYS 16 2HG LYS 16 -0.165 -13.284 -3.259 112 2HD LYS 16 2HD LYS 16 2.547 -13.131 -1.860 113 2HE LYS 16 2HE LYS 16 2.679 -11.140 -3.606 114 1HZ LYS 16 1HZ LYS 16 3.201 -13.215 -5.281 115 2HZ LYS 16 2HZ LYS 16 4.253 -12.635 -4.182 116 H THR 17 H THR 17 -1.099 -14.121 1.692 117 HA THR 17 HA THR 17 -3.371 -15.785 1.357 118 HB THR 17 HB THR 17 -1.779 -14.697 3.725 119 HG1 THR 17 1HG THR 17 -2.239 -17.234 2.322 120 1HG2 THR 17 1HG2 THR 17 -2.960 -16.638 4.959 121 2HG2 THR 17 2HG2 THR 17 -3.943 -15.176 4.706 122 3HG2 THR 17 3HG2 THR 17 -4.173 -16.596 3.657 123 H THR 18 H THR 18 -2.915 -12.360 2.106 124 HA THR 18 HA THR 18 -5.682 -12.122 2.976 125 HB THR 18 HB THR 18 -3.330 -10.881 3.720 126 HG1 THR 18 1HG THR 18 -5.091 -9.196 4.412 127 1HG2 THR 18 1HG2 THR 18 -4.869 -8.987 1.864 128 2HG2 THR 18 2HG2 THR 18 -3.570 -8.508 2.983 129 3HG2 THR 18 3HG2 THR 18 -3.204 -9.559 1.594 130 H ARG 19 H ARG 19 -7.358 -11.593 1.716 131 HA ARG 19 HA ARG 19 -7.227 -9.827 -0.352 132 2HB ARG 19 2HB ARG 19 -7.549 -12.538 -1.630 133 2HG ARG 19 2HG ARG 19 -6.205 -9.952 -2.547 134 2HD ARG 19 2HD ARG 19 -5.626 -12.241 -3.671 135 HE ARG 19 HE ARG 19 -8.195 -11.979 -5.116 136 1HH1 ARG 19 2HH2 ARG 19 -6.306 -13.777 -2.717 137 2HH1 ARG 19 1HH2 ARG 19 -7.304 -15.189 -2.807 138 2HH2 ARG 19 1HH ARG 19 -9.182 -15.207 -4.295 139 H GLN 20 H GLN 20 -8.912 -10.549 1.868 140 HA GLN 20 HA GLN 20 -11.098 -12.073 1.039 141 2HB GLN 20 2HB GLN 20 -10.721 -11.783 3.392 142 2HG GLN 20 2HG GLN 20 -10.671 -8.844 2.676 143 1HE2 GLN 20 1HE2 GLN 20 -13.072 -9.315 3.648 144 2HE2 GLN 20 2HE2 GLN 20 -13.236 -8.848 5.308 145 H ASN 21 H ASN 21 -11.283 -11.047 -1.193 146 HA ASN 21 HA ASN 21 -12.282 -9.769 -2.633 147 2HB ASN 21 2HB ASN 21 -14.497 -8.610 -1.740 148 1HD2 ASN 21 1HD2 ASN 21 -14.972 -11.420 -0.061 149 2HD2 ASN 21 2HD2 ASN 21 -15.471 -12.484 -1.334 150 H VAL 22 H VAL 22 -10.129 -8.574 -0.990 151 HA VAL 22 HA VAL 22 -11.027 -5.832 -0.586 152 HB VAL 22 HB VAL 22 -9.625 -7.246 1.054 153 1HG1 VAL 22 1HG1 VAL 22 -7.923 -7.411 -1.163 154 2HG1 VAL 22 2HG1 VAL 22 -7.127 -6.261 -0.061 155 3HG1 VAL 22 3HG1 VAL 22 -7.556 -7.892 0.511 156 1HG2 VAL 22 1HG2 VAL 22 -8.090 -4.801 0.857 157 2HG2 VAL 22 2HG2 VAL 22 -9.812 -4.485 0.530 158 3HG2 VAL 22 3HG2 VAL 22 -9.323 -5.272 2.051 159 H SER 23 H SER 23 -8.132 -4.962 -1.084 160 HA SER 23 HA SER 23 -8.420 -3.835 -3.475 161 2HB SER 23 2HB SER 23 -5.755 -4.119 -3.555 162 HG SER 23 HG SER 23 -7.175 -2.743 -1.436 163 H ALA 24 H ALA 24 -6.711 -6.994 -2.874 164 HA ALA 24 HA ALA 24 -5.984 -8.527 -4.345 165 1HB ALA 24 1HB ALA 24 -8.707 -8.466 -5.602 166 2HB ALA 24 2HB ALA 24 -7.771 -9.845 -4.977 167 3HB ALA 24 3HB ALA 24 -8.598 -8.746 -3.848 168 H ILE 25 H ILE 25 -5.125 -6.028 -5.232 169 HA ILE 25 HA ILE 25 -5.950 -5.550 -7.906 170 HB ILE 25 HB ILE 25 -3.630 -4.586 -6.241 171 2HG1 ILE 25 2HG1 ILE 25 -5.933 -3.896 -5.566 172 1HG2 ILE 25 1HG2 ILE 25 -2.800 -4.421 -8.432 173 2HG2 ILE 25 2HG2 ILE 25 -4.380 -3.936 -9.091 174 3HG2 ILE 25 3HG2 ILE 25 -3.458 -2.809 -8.068 175 1HD1 ILE 25 1HD1 ILE 25 -3.622 -2.324 -5.903 176 2HD1 ILE 25 2HD1 ILE 25 -4.938 -1.334 -6.577 177 3HD1 ILE 25 3HD1 ILE 25 -5.037 -1.922 -4.900 178 H GLU 26 H GLU 26 -3.829 -7.828 -6.350 179 HA GLU 26 HA GLU 26 -2.087 -8.155 -8.544 180 2HB GLU 26 2HB GLU 26 -1.443 -8.766 -6.237 181 2HG GLU 26 2HG GLU 26 -3.345 -11.131 -6.509 182 HE2 GLU 26 HE GLU 26 -3.327 -9.721 -3.581 183 H ARG 27 H ARG 27 -4.906 -10.045 -7.244 184 HA ARG 27 HA ARG 27 -4.832 -11.926 -9.282 185 2HB ARG 27 2HB ARG 27 -7.381 -12.160 -8.523 186 2HG ARG 27 2HG ARG 27 -6.629 -13.290 -6.408 187 2HD ARG 27 2HD ARG 27 -5.710 -13.830 -9.096 188 HE ARG 27 HE ARG 27 -3.482 -13.646 -7.442 189 1HH1 ARG 27 2HH2 ARG 27 -5.099 -16.315 -9.119 190 2HH1 ARG 27 1HH2 ARG 27 -3.648 -17.242 -9.303 191 2HH2 ARG 27 1HH ARG 27 -1.584 -16.372 -8.452 192 H LYS 28 H LYS 28 -6.714 -8.869 -8.806 193 HA LYS 28 HA LYS 28 -8.303 -9.119 -11.087 194 2HB LYS 28 2HB LYS 28 -7.633 -6.370 -10.354 195 2HG LYS 28 2HG LYS 28 -9.777 -7.508 -11.431 196 2HD LYS 28 2HD LYS 28 -10.184 -9.085 -9.551 197 2HE LYS 28 2HE LYS 28 -10.241 -6.495 -7.975 198 1HZ LYS 28 1HZ LYS 28 -12.348 -8.031 -7.750 199 2HZ LYS 28 2HZ LYS 28 -11.366 -8.952 -6.833 200 H ALA 29 H ALA 29 -5.300 -7.127 -10.581 201 HA ALA 29 HA ALA 29 -4.967 -6.217 -13.102 202 1HB ALA 29 1HB ALA 29 -2.847 -7.249 -11.174 203 2HB ALA 29 2HB ALA 29 -2.541 -6.170 -12.555 204 3HB ALA 29 3HB ALA 29 -3.547 -5.612 -11.197 205 H MET 30 H MET 30 -3.624 -9.346 -11.818 206 HA MET 30 HA MET 30 -2.658 -10.174 -14.273 207 2HB MET 30 2HB MET 30 -3.675 -12.223 -12.305 208 2HG MET 30 2HG MET 30 -0.821 -12.213 -12.648 209 1HE MET 30 1HE MET 30 -1.446 -15.530 -11.610 210 2HE MET 30 2HE MET 30 -0.141 -15.174 -12.767 211 3HE MET 30 3HE MET 30 -0.603 -13.965 -11.545 212 H GLU 31 H GLU 31 -5.912 -10.047 -13.007 213 HA GLU 31 HA GLU 31 -6.878 -12.138 -14.685 214 2HB GLU 31 2HB GLU 31 -9.077 -10.602 -13.840 215 2HG GLU 31 2HG GLU 31 -9.366 -12.397 -12.163 216 HE2 GLU 31 HE GLU 31 -8.008 -14.981 -13.673 217 H ASN 32 H ASN 32 -5.451 -10.447 -16.323 218 HA ASN 32 HA ASN 32 -5.524 -9.102 -18.036 219 2HB ASN 32 2HB ASN 32 -7.785 -9.391 -19.440 220 1HD2 ASN 32 1HD2 ASN 32 -7.697 -10.959 -21.054 221 2HD2 ASN 32 2HD2 ASN 32 -6.334 -12.005 -21.272 222 H ILE 33 H ILE 33 -6.408 -7.884 -15.517 223 HA ILE 33 HA ILE 33 -8.776 -6.502 -15.632 224 HB ILE 33 HB ILE 33 -6.589 -6.662 -13.960 225 2HG1 ILE 33 2HG1 ILE 33 -8.755 -6.606 -13.066 226 1HG2 ILE 33 1HG2 ILE 33 -5.819 -4.440 -13.505 227 2HG2 ILE 33 2HG2 ILE 33 -5.548 -4.781 -15.231 228 3HG2 ILE 33 3HG2 ILE 33 -6.912 -3.751 -14.729 229 1HD1 ILE 33 1HD1 ILE 33 -6.940 -5.206 -11.825 230 2HD1 ILE 33 2HD1 ILE 33 -7.826 -3.785 -12.430 231 3HD1 ILE 33 3HD1 ILE 33 -8.641 -4.953 -11.362 232 H GLU 34 H GLU 34 -9.262 -4.245 -16.177 233 HA GLU 34 HA GLU 34 -7.461 -2.764 -17.720 234 2HB GLU 34 2HB GLU 34 -9.768 -3.625 -19.443 235 2HG GLU 34 2HG GLU 34 -6.987 -2.522 -19.744 236 HE2 GLU 34 HE GLU 34 -7.566 -3.971 -23.284 237 H LYS 35 H LYS 35 -11.036 -3.463 -17.600 238 HA LYS 35 HA LYS 35 -11.637 -1.232 -16.052 239 2HB LYS 35 2HB LYS 35 -12.344 -0.707 -18.937 240 2HG LYS 35 2HG LYS 35 -12.538 0.693 -16.293 241 2HD LYS 35 2HD LYS 35 -10.867 2.012 -17.791 242 2HE LYS 35 2HE LYS 35 -13.427 2.795 -19.240 243 1HZ LYS 35 1HZ LYS 35 -11.551 3.516 -20.828 244 2HZ LYS 35 2HZ LYS 35 -11.779 4.424 -19.496 245 H SER 36 H SER 36 -12.742 -3.097 -15.122 246 HA SER 36 HA SER 36 -15.355 -3.328 -16.282 247 2HB SER 36 2HB SER 36 -15.220 -5.907 -15.934 248 HG SER 36 HG SER 36 -14.276 -6.191 -18.072 249 H ARG 37 H ARG 37 -13.552 -5.410 -13.923 250 HA ARG 37 HA ARG 37 -15.398 -5.624 -12.062 251 2HB ARG 37 2HB ARG 37 -13.383 -5.564 -10.361 252 2HG ARG 37 2HG ARG 37 -12.340 -7.621 -11.541 253 2HD ARG 37 2HD ARG 37 -15.320 -7.365 -10.967 254 HE ARG 37 HE ARG 37 -14.006 -9.593 -12.265 255 1HH1 ARG 37 2HH2 ARG 37 -16.408 -8.836 -9.772 256 2HH1 ARG 37 1HH2 ARG 37 -17.243 -10.343 -9.944 257 2HH2 ARG 37 1HH ARG 37 -16.461 -11.943 -11.548 258 H ASN 38 H ASN 38 -12.905 -2.963 -12.086 259 HA ASN 38 HA ASN 38 -12.971 -0.908 -11.388 260 2HB ASN 38 2HB ASN 38 -15.120 0.280 -11.042 261 1HD2 ASN 38 1HD2 ASN 38 -17.319 -0.489 -12.598 262 2HD2 ASN 38 2HD2 ASN 38 -16.838 -0.626 -14.256 263 H THR 39 H THR 39 -12.207 -2.869 -9.559 264 HA THR 39 HA THR 39 -13.706 -2.697 -7.126 265 HB THR 39 HB THR 39 -10.978 -3.835 -7.918 266 HG1 THR 39 1HG THR 39 -12.316 -5.776 -7.763 267 1HG2 THR 39 1HG2 THR 39 -12.193 -5.030 -5.561 268 2HG2 THR 39 2HG2 THR 39 -10.568 -4.321 -5.725 269 3HG2 THR 39 3HG2 THR 39 -11.947 -3.290 -5.272 270 H LEU 40 H LEU 40 -10.192 -2.010 -7.380 271 HA LEU 40 HA LEU 40 -10.106 -0.283 -5.286 272 2HB LEU 40 2HB LEU 40 -8.177 -1.276 -6.410 273 HG LEU 40 HG LEU 40 -7.102 -0.219 -8.303 274 1HD1 LEU 40 1HD1 LEU 40 -8.471 -1.069 -10.089 275 2HD1 LEU 40 2HD1 LEU 40 -8.639 -2.139 -8.676 276 3HD1 LEU 40 3HD1 LEU 40 -9.931 -0.981 -9.074 277 1HD2 LEU 40 1HD2 LEU 40 -9.428 1.319 -9.237 278 2HD2 LEU 40 2HD2 LEU 40 -8.656 1.968 -7.771 279 3HD2 LEU 40 3HD2 LEU 40 -7.695 1.722 -9.249 280 H ASP 41 H ASP 41 -11.396 0.254 -8.521 281 HA ASP 41 HA ASP 41 -11.222 3.032 -8.492 282 2HB ASP 41 2HB ASP 41 -13.405 1.391 -9.840 283 HD2 ASP 41 HD ASP 41 -11.893 4.712 -11.477 284 H PHE 42 H PHE 42 -13.979 0.726 -7.860 285 HA PHE 42 HA PHE 42 -15.878 2.554 -7.138 286 2HB PHE 42 2HB PHE 42 -15.143 -0.300 -6.340 287 HD1 PHE 42 1HD PHE 42 -18.604 0.665 -6.554 288 HD2 PHE 42 2HD PHE 42 -15.379 0.059 -3.863 289 HE1 PHE 42 1HE PHE 42 -20.225 0.524 -4.642 290 HE2 PHE 42 2HE PHE 42 -17.000 -0.081 -1.951 291 HZ PHE 42 HZ PHE 42 -19.403 0.154 -2.363 292 H VAL 43 H VAL 43 -13.181 1.195 -5.199 293 HA VAL 43 HA VAL 43 -14.160 2.395 -2.780 294 HB VAL 43 HB VAL 43 -12.326 0.377 -3.542 295 1HG1 VAL 43 1HG1 VAL 43 -11.011 2.469 -1.778 296 2HG1 VAL 43 2HG1 VAL 43 -10.337 0.893 -2.263 297 3HG1 VAL 43 3HG1 VAL 43 -10.593 2.166 -3.482 298 1HG2 VAL 43 1HG2 VAL 43 -13.099 1.425 -0.797 299 2HG2 VAL 43 2HG2 VAL 43 -13.997 0.222 -1.753 300 3HG2 VAL 43 3HG2 VAL 43 -12.370 -0.162 -1.143 301 H LYS 44 H LYS 44 -12.164 3.284 -5.531 302 HA LYS 44 HA LYS 44 -10.636 5.266 -4.234 303 2HB LYS 44 2HB LYS 44 -10.995 5.905 -6.987 304 2HG LYS 44 2HG LYS 44 -8.649 4.637 -6.973 305 2HD LYS 44 2HD LYS 44 -9.426 7.260 -6.554 306 2HE LYS 44 2HE LYS 44 -9.300 6.878 -4.055 307 1HZ LYS 44 1HZ LYS 44 -6.680 5.901 -4.818 308 2HZ LYS 44 2HZ LYS 44 -6.667 6.898 -3.532 309 H SER 45 H SER 45 -13.883 5.172 -5.731 310 HA SER 45 HA SER 45 -14.324 7.837 -6.004 311 2HB SER 45 2HB SER 45 -16.257 5.646 -5.129 312 HG SER 45 HG SER 45 -17.096 7.852 -4.801 313 H LEU 46 H LEU 46 -14.621 5.751 -3.072 314 HA LEU 46 HA LEU 46 -15.880 7.310 -1.314 315 2HB LEU 46 2HB LEU 46 -13.548 6.365 0.011 316 HG LEU 46 HG LEU 46 -16.227 4.985 -0.313 317 1HD1 LEU 46 1HD1 LEU 46 -14.279 4.655 1.968 318 2HD1 LEU 46 2HD1 LEU 46 -15.681 3.647 1.536 319 3HD1 LEU 46 3HD1 LEU 46 -14.224 3.630 0.513 320 1HD2 LEU 46 1HD2 LEU 46 -16.032 7.440 0.667 321 2HD2 LEU 46 2HD2 LEU 46 -17.108 6.220 1.391 322 3HD2 LEU 46 3HD2 LEU 46 -15.522 6.556 2.126 323 H LYS 47 H LYS 47 -12.335 7.604 -2.062 324 HA LYS 47 HA LYS 47 -10.967 9.333 -1.959 325 2HB LYS 47 2HB LYS 47 -13.578 10.823 -2.188 326 2HG LYS 47 2HG LYS 47 -11.482 12.587 -2.835 327 2HD LYS 47 2HD LYS 47 -13.599 12.356 -0.739 328 2HE LYS 47 2HE LYS 47 -11.908 14.760 -0.383 329 1HZ LYS 47 1HZ LYS 47 -13.235 12.794 1.394 330 2HZ LYS 47 2HZ LYS 47 -12.333 14.015 1.984 331 H SER 48 H SER 48 -10.851 8.073 0.269 332 HA SER 48 HA SER 48 -11.554 9.935 2.386 333 2HB SER 48 2HB SER 48 -11.027 7.945 3.893 334 HG SER 48 HG SER 48 -13.230 8.475 2.866 335 HA PRO 49 HA PRO 49 -7.318 10.866 2.825 336 2HB PRO 49 2HB PRO 49 -7.794 12.897 3.800 337 2HG PRO 49 2HG PRO 49 -9.905 13.055 4.714 338 2HD PRO 49 2HD PRO 49 -11.005 11.455 3.483 339 H VAL 50 H VAL 50 -5.312 10.432 3.984 340 HA VAL 50 HA VAL 50 -5.551 8.517 6.111 341 HB VAL 50 HB VAL 50 -4.410 7.704 3.430 342 1HG1 VAL 50 1HG1 VAL 50 -4.401 6.336 6.133 343 2HG1 VAL 50 2HG1 VAL 50 -4.145 5.462 4.602 344 3HG1 VAL 50 3HG1 VAL 50 -3.013 6.744 5.096 345 1HG2 VAL 50 1HG2 VAL 50 -6.179 5.911 3.580 346 2HG2 VAL 50 2HG2 VAL 50 -6.881 6.812 4.945 347 3HG2 VAL 50 3HG2 VAL 50 -6.797 7.562 3.333 348 H ARG 51 H ARG 51 -3.361 7.982 7.010 349 HA ARG 51 HA ARG 51 -1.225 9.592 6.026 350 2HB ARG 51 2HB ARG 51 -2.104 10.041 8.914 351 2HG ARG 51 2HG ARG 51 -0.130 11.325 6.998 352 2HD ARG 51 2HD ARG 51 -1.683 12.605 9.239 353 HE ARG 51 HE ARG 51 1.255 12.735 9.033 354 1HH1 ARG 51 2HH2 ARG 51 -1.683 14.343 10.185 355 2HH1 ARG 51 1HH2 ARG 51 -0.844 15.318 11.345 356 2HH2 ARG 51 1HH ARG 51 1.535 15.112 11.549 357 H ILE 52 H ILE 52 0.721 8.530 6.442 358 HA ILE 52 HA ILE 52 0.892 6.789 8.746 359 HB ILE 52 HB ILE 52 1.835 4.994 7.101 360 2HG1 ILE 52 2HG1 ILE 52 1.546 6.463 5.093 361 1HG2 ILE 52 1HG2 ILE 52 -1.030 4.749 6.875 362 2HG2 ILE 52 2HG2 ILE 52 0.112 3.846 7.898 363 3HG2 ILE 52 3HG2 ILE 52 -0.585 5.377 8.480 364 1HD1 ILE 52 1HD1 ILE 52 0.009 3.827 5.184 365 2HD1 ILE 52 2HD1 ILE 52 0.461 4.672 3.684 366 3HD1 ILE 52 3HD1 ILE 52 1.726 4.047 4.769 367 H LEU 53 H LEU 53 3.082 6.345 9.357 368 HA LEU 53 HA LEU 53 4.950 8.188 8.057 369 2HB LEU 53 2HB LEU 53 4.520 7.241 10.835 370 HG LEU 53 HG LEU 53 7.245 7.823 9.698 371 1HD1 LEU 53 1HD1 LEU 53 6.246 9.380 11.713 372 2HD1 LEU 53 2HD1 LEU 53 7.026 8.061 12.619 373 3HD1 LEU 53 3HD1 LEU 53 7.968 9.016 11.448 374 1HD2 LEU 53 1HD2 LEU 53 7.686 6.124 11.697 375 2HD2 LEU 53 2HD2 LEU 53 5.982 5.716 11.387 376 3HD2 LEU 53 3HD2 LEU 53 7.182 5.579 10.079 377 H CYS 54 H CYS 54 6.982 7.483 7.326 378 HA CYS 54 HA CYS 54 7.163 4.571 7.106 379 2HB CYS 54 2HB CYS 54 8.239 6.746 5.285 380 HG CYS 54 HG CYS 54 8.401 4.203 3.746 381 H ARG 55 H ARG 55 9.013 3.555 7.926 382 HA ARG 55 HA ARG 55 10.991 5.379 9.040 383 2HB ARG 55 2HB ARG 55 11.403 3.254 10.605 384 2HG ARG 55 2HG ARG 55 8.867 4.321 11.529 385 2HD ARG 55 2HD ARG 55 10.748 5.701 12.922 386 HE ARG 55 HE ARG 55 9.385 3.257 13.334 387 1HH1 ARG 55 2HH2 ARG 55 12.412 4.764 14.389 388 2HH1 ARG 55 1HH2 ARG 55 12.455 3.914 15.898 389 2HH2 ARG 55 1HH ARG 55 10.698 2.373 16.426 390 H ARG 56 H ARG 56 13.023 3.581 9.698 391 HA ARG 56 HA ARG 56 14.323 3.248 7.358 392 2HB ARG 56 2HB ARG 56 15.448 1.251 8.918 393 2HG ARG 56 2HG ARG 56 15.990 4.026 9.874 394 2HD ARG 56 2HD ARG 56 18.314 3.322 9.010 395 HE ARG 56 HE ARG 56 16.980 2.479 11.355 396 1HH1 ARG 56 2HH2 ARG 56 19.691 1.369 9.363 397 2HH1 ARG 56 1HH2 ARG 56 20.512 0.606 10.684 398 2HH2 ARG 56 1HH ARG 56 19.535 0.681 12.872 399 H GLY 57 H GLY 57 14.277 1.745 5.691 400 1HA GLY 57 1HA GLY 57 12.236 -0.026 5.301 401 2HA GLY 57 2HA GLY 57 13.814 -0.138 4.544 402 H ASP 58 H ASP 58 15.232 -0.466 7.198 403 HA ASP 58 HA ASP 58 15.295 -3.204 7.231 404 2HB ASP 58 2HB ASP 58 16.150 -1.044 9.175 405 HD2 ASP 58 HD ASP 58 16.413 -1.617 11.251 406 H THR 59 H THR 59 13.210 -0.843 8.863 407 HA THR 59 HA THR 59 12.037 -2.990 10.500 408 HB THR 59 HB THR 59 13.005 -0.444 11.194 409 HG1 THR 59 1HG THR 59 11.930 -1.131 13.191 410 1HG2 THR 59 1HG2 THR 59 11.102 0.883 11.824 411 2HG2 THR 59 2HG2 THR 59 10.785 0.433 10.131 412 3HG2 THR 59 3HG2 THR 59 9.965 -0.435 11.452 413 H LEU 60 H LEU 60 11.682 -1.893 7.502 414 HA LEU 60 HA LEU 60 9.159 -0.866 7.250 415 2HB LEU 60 2HB LEU 60 10.204 -2.930 5.345 416 HG LEU 60 HG LEU 60 8.126 -1.622 4.788 417 1HD1 LEU 60 1HD1 LEU 60 8.027 0.620 4.751 418 2HD1 LEU 60 2HD1 LEU 60 9.437 0.525 5.835 419 3HD1 LEU 60 3HD1 LEU 60 9.671 0.789 4.090 420 1HD2 LEU 60 1HD2 LEU 60 10.583 -1.387 3.041 421 2HD2 LEU 60 2HD2 LEU 60 9.317 -2.637 3.003 422 3HD2 LEU 60 3HD2 LEU 60 8.942 -0.974 2.490 423 H ASP 61 H ASP 61 10.194 -4.274 7.759 424 HA ASP 61 HA ASP 61 7.789 -5.471 7.292 425 2HB ASP 61 2HB ASP 61 9.927 -6.669 7.718 426 HD2 ASP 61 HD ASP 61 11.999 -6.305 9.721 427 H GLU 62 H GLU 62 9.196 -4.126 10.366 428 HA GLU 62 HA GLU 62 6.891 -4.730 11.868 429 2HB GLU 62 2HB GLU 62 9.454 -3.223 12.320 430 2HG GLU 62 2HG GLU 62 6.866 -2.739 13.749 431 HE2 GLU 62 HE GLU 62 6.841 -2.501 15.986 432 H ILE 63 H ILE 63 8.156 -1.832 10.154 433 HA ILE 63 HA ILE 63 6.391 0.040 11.156 434 HB ILE 63 HB ILE 63 8.420 -0.066 9.282 435 2HG1 ILE 63 2HG1 ILE 63 8.083 2.428 9.210 436 1HG2 ILE 63 1HG2 ILE 63 7.518 1.055 7.287 437 2HG2 ILE 63 2HG2 ILE 63 6.862 -0.588 7.489 438 3HG2 ILE 63 3HG2 ILE 63 5.867 0.825 7.912 439 1HD1 ILE 63 1HD1 ILE 63 6.249 2.719 11.332 440 2HD1 ILE 63 2HD1 ILE 63 5.999 3.210 9.639 441 3HD1 ILE 63 3HD1 ILE 63 5.451 1.608 10.192 442 H ILE 64 H ILE 64 5.944 -2.545 8.747 443 HA ILE 64 HA ILE 64 3.593 -1.590 7.600 444 HB ILE 64 HB ILE 64 4.745 -4.346 7.972 445 2HG1 ILE 64 2HG1 ILE 64 5.617 -2.347 6.388 446 1HG2 ILE 64 1HG2 ILE 64 3.090 -5.219 6.447 447 2HG2 ILE 64 2HG2 ILE 64 2.276 -4.494 7.854 448 3HG2 ILE 64 3HG2 ILE 64 2.322 -3.619 6.304 449 1HD1 ILE 64 1HD1 ILE 64 5.750 -4.809 4.857 450 2HD1 ILE 64 2HD1 ILE 64 7.035 -4.006 5.792 451 3HD1 ILE 64 3HD1 ILE 64 5.949 -5.169 6.590 452 H LYS 65 H LYS 65 4.191 -3.628 10.521 453 HA LYS 65 HA LYS 65 1.486 -4.088 11.071 454 2HB LYS 65 2HB LYS 65 3.167 -4.006 13.440 455 2HG LYS 65 2HG LYS 65 2.359 -6.522 11.993 456 2HD LYS 65 2HD LYS 65 2.086 -5.556 14.880 457 2HE LYS 65 2HE LYS 65 1.935 -8.197 15.123 458 1HZ LYS 65 1HZ LYS 65 -0.327 -7.894 15.370 459 2HZ LYS 65 2HZ LYS 65 0.121 -6.329 15.372 460 H ARG 66 H ARG 66 3.736 -1.415 11.866 461 HA ARG 66 HA ARG 66 1.947 -0.224 13.673 462 2HB ARG 66 2HB ARG 66 3.502 1.795 13.364 463 2HG ARG 66 2HG ARG 66 5.619 0.016 13.834 464 2HD ARG 66 2HD ARG 66 3.748 1.668 15.381 465 HE ARG 66 HE ARG 66 4.912 -0.414 17.113 466 1HH1 ARG 66 2HH2 ARG 66 1.998 0.735 15.458 467 2HH1 ARG 66 1HH2 ARG 66 0.917 -0.150 16.482 468 2HH2 ARG 66 1HH ARG 66 1.814 -1.505 18.243 469 H LEU 67 H LEU 67 2.597 0.001 10.162 470 HA LEU 67 HA LEU 67 1.187 2.379 9.694 471 2HB LEU 67 2HB LEU 67 1.061 1.367 7.331 472 HG LEU 67 HG LEU 67 3.893 1.397 8.341 473 1HD1 LEU 67 1HD1 LEU 67 4.477 2.034 6.216 474 2HD1 LEU 67 2HD1 LEU 67 3.053 1.020 5.878 475 3HD1 LEU 67 3HD1 LEU 67 2.901 2.794 5.887 476 1HD2 LEU 67 1HD2 LEU 67 3.531 4.009 7.821 477 2HD2 LEU 67 2HD2 LEU 67 1.926 3.615 8.483 478 3HD2 LEU 67 3HD2 LEU 67 3.388 3.303 9.448 479 H LEU 68 H LEU 68 0.212 -1.107 9.471 480 HA LEU 68 HA LEU 68 -2.345 -0.770 8.605 481 2HB LEU 68 2HB LEU 68 -0.874 -2.862 9.257 482 HG LEU 68 HG LEU 68 -1.310 -2.427 11.774 483 1HD1 LEU 68 1HD1 LEU 68 -3.503 -3.799 12.366 484 2HD1 LEU 68 2HD1 LEU 68 -3.534 -2.040 12.095 485 3HD1 LEU 68 3HD1 LEU 68 -4.035 -3.149 10.797 486 1HD2 LEU 68 1HD2 LEU 68 -1.172 -4.866 10.200 487 2HD2 LEU 68 2HD2 LEU 68 -0.364 -4.439 11.727 488 3HD2 LEU 68 3HD2 LEU 68 -2.009 -5.120 11.751 489 H GLU 69 H GLU 69 -1.084 -0.497 11.980 490 HA GLU 69 HA GLU 69 -3.526 -0.153 13.190 491 2HB GLU 69 2HB GLU 69 -2.254 0.821 15.056 492 2HG GLU 69 2HG GLU 69 -0.104 -0.901 14.636 493 HE2 GLU 69 HE GLU 69 -0.901 -2.621 16.889 494 H GLU 70 H GLU 70 -1.693 1.978 11.100 495 HA GLU 70 HA GLU 70 -3.164 4.283 12.027 496 2HB GLU 70 2HB GLU 70 -1.708 5.550 10.468 497 2HG GLU 70 2HG GLU 70 0.576 4.399 11.430 498 HE2 GLU 70 HE GLU 70 -1.378 5.968 14.325 499 H SER 71 H SER 71 -2.806 2.130 9.165 500 HA SER 71 HA SER 71 -4.791 3.642 7.750 501 2HB SER 71 2HB SER 71 -4.413 1.890 5.967 502 HG SER 71 HG SER 71 -2.961 3.441 5.550 503 H ASN 72 H ASN 72 -4.386 0.120 8.609 504 HA ASN 72 HA ASN 72 -6.778 -0.812 8.077 505 2HB ASN 72 2HB ASN 72 -5.863 -1.507 10.853 506 1HD2 ASN 72 1HD2 ASN 72 -7.018 -3.214 11.270 507 2HD2 ASN 72 2HD2 ASN 72 -7.466 -4.481 10.177 508 H LYS 73 H LYS 73 -5.918 1.466 10.678 509 HA LYS 73 HA LYS 73 -8.204 1.182 12.261 510 2HB LYS 73 2HB LYS 73 -7.202 3.878 12.309 511 2HG LYS 73 2HG LYS 73 -6.110 2.180 14.376 512 2HD LYS 73 2HD LYS 73 -7.991 4.445 14.061 513 2HE LYS 73 2HE LYS 73 -8.876 4.075 16.446 514 1HZ LYS 73 1HZ LYS 73 -10.702 2.749 15.642 515 2HZ LYS 73 2HZ LYS 73 -10.235 3.696 14.403 516 H GLU 74 H GLU 74 -7.424 3.530 9.602 517 HA GLU 74 HA GLU 74 -10.225 4.249 9.586 518 2HB GLU 74 2HB GLU 74 -8.685 6.121 9.579 519 2HG GLU 74 2HG GLU 74 -7.462 5.860 6.979 520 HE2 GLU 74 HE GLU 74 -4.610 5.956 8.073 521 H GLY 75 H GLY 75 -8.607 1.717 8.425 522 1HA GLY 75 1HA GLY 75 -10.010 1.762 5.820 523 2HA GLY 75 2HA GLY 75 -8.401 1.099 6.018 524 H ILE 76 H ILE 76 -9.709 -0.830 5.052 525 HA ILE 76 HA ILE 76 -11.268 -2.209 7.081 526 HB ILE 76 HB ILE 76 -12.086 -2.008 4.762 527 2HG1 ILE 76 2HG1 ILE 76 -11.524 -4.857 5.639 528 1HG2 ILE 76 1HG2 ILE 76 -11.055 -3.443 3.013 529 2HG2 ILE 76 2HG2 ILE 76 -10.030 -2.078 3.519 530 3HG2 ILE 76 3HG2 ILE 76 -9.676 -3.721 4.105 531 1HD1 ILE 76 1HD1 ILE 76 -12.552 -3.745 7.498 532 2HD1 ILE 76 2HD1 ILE 76 -13.617 -2.795 6.435 533 3HD1 ILE 76 3HD1 ILE 76 -13.885 -4.543 6.630 534 H HIS 77 H HIS 77 -10.798 -4.597 7.428 535 HA HIS 77 HA HIS 77 -8.274 -4.887 8.467 536 2HB HIS 77 2HB HIS 77 -9.905 -7.240 7.534 537 HD1 HIS 77 1HD HIS 77 -10.194 -8.653 10.122 538 HD2 HIS 77 2HD HIS 77 -6.711 -6.515 9.175 539 HE1 HIS 77 1HE HIS 77 -8.346 -9.605 11.601 540 H VAL 78 H VAL 78 -6.494 -4.485 7.186 541 HA VAL 78 HA VAL 78 -6.132 -6.357 4.965 542 HB VAL 78 HB VAL 78 -6.263 -3.418 4.881 543 1HG1 VAL 78 1HG1 VAL 78 -3.826 -3.701 4.746 544 2HG1 VAL 78 2HG1 VAL 78 -4.030 -4.869 3.419 545 3HG1 VAL 78 3HG1 VAL 78 -4.502 -3.169 3.188 546 1HG2 VAL 78 1HG2 VAL 78 -6.292 -5.407 2.598 547 2HG2 VAL 78 2HG2 VAL 78 -7.710 -5.111 3.632 548 3HG2 VAL 78 3HG2 VAL 78 -7.021 -3.785 2.666 549 H ILE 79 H ILE 79 -4.065 -7.220 4.829 550 HA ILE 79 HA ILE 79 -2.191 -6.227 6.864 551 HB ILE 79 HB ILE 79 -1.368 -8.500 7.066 552 2HG1 ILE 79 2HG1 ILE 79 -2.446 -8.954 4.589 553 1HG2 ILE 79 1HG2 ILE 79 -3.214 -7.650 8.511 554 2HG2 ILE 79 2HG2 ILE 79 -4.375 -8.441 7.418 555 3HG2 ILE 79 3HG2 ILE 79 -3.194 -9.419 8.321 556 1HD1 ILE 79 1HD1 ILE 79 -1.240 -10.571 6.773 557 2HD1 ILE 79 2HD1 ILE 79 -2.166 -11.508 5.575 558 3HD1 ILE 79 3HD1 ILE 79 -0.807 -10.484 5.049 559 H HIS 80 H HIS 80 -2.199 -4.859 4.508 560 HA HIS 80 HA HIS 80 -0.326 -6.138 2.725 561 2HB HIS 80 2HB HIS 80 -0.581 -3.907 1.495 562 HD1 HIS 80 1HD HIS 80 -3.972 -3.712 1.408 563 HD2 HIS 80 2HD HIS 80 -1.415 -6.967 0.724 564 HE1 HIS 80 1HE HIS 80 -5.288 -5.368 -0.018 565 H ASP 81 H ASP 81 1.615 -4.728 1.966 566 HA ASP 81 HA ASP 81 2.853 -3.722 4.399 567 2HB ASP 81 2HB ASP 81 5.016 -4.128 3.150 568 HD2 ASP 81 HD ASP 81 5.459 -6.549 2.246 569 H SER 82 H SER 82 4.733 -2.008 3.717 570 HA SER 82 HA SER 82 3.370 0.138 2.547 571 2HB SER 82 2HB SER 82 5.461 1.382 2.913 572 HG SER 82 HG SER 82 5.674 -0.279 5.153 573 H ILE 83 H ILE 83 5.636 -2.337 1.378 574 HA ILE 83 HA ILE 83 6.304 -0.939 -1.017 575 HB ILE 83 HB ILE 83 6.603 -3.869 -0.358 576 2HG1 ILE 83 2HG1 ILE 83 7.601 -2.534 1.420 577 1HG2 ILE 83 1HG2 ILE 83 8.561 -2.457 -2.069 578 2HG2 ILE 83 2HG2 ILE 83 7.875 -4.095 -2.202 579 3HG2 ILE 83 3HG2 ILE 83 6.940 -2.689 -2.768 580 1HD1 ILE 83 1HD1 ILE 83 8.994 -4.370 1.125 581 2HD1 ILE 83 2HD1 ILE 83 9.334 -3.972 -0.576 582 3HD1 ILE 83 3HD1 ILE 83 10.140 -3.067 0.727 583 H THR 84 H THR 84 3.850 -3.327 0.027 584 HA THR 84 HA THR 84 2.925 -3.829 -2.628 585 HB THR 84 HB THR 84 2.339 -4.635 0.178 586 HG1 THR 84 1HG THR 84 1.834 -5.913 -2.399 587 1HG2 THR 84 1HG2 THR 84 0.104 -5.600 -0.517 588 2HG2 THR 84 2HG2 THR 84 0.070 -3.825 -0.380 589 3HG2 THR 84 3HG2 THR 84 0.166 -4.593 -1.983 590 H LEU 85 H LEU 85 2.040 -1.574 0.015 591 HA LEU 85 HA LEU 85 -0.356 -0.704 -1.108 592 2HB LEU 85 2HB LEU 85 0.537 1.466 0.247 593 HG LEU 85 HG LEU 85 -1.452 0.445 1.009 594 1HD1 LEU 85 1HD1 LEU 85 -0.092 -1.975 0.623 595 2HD1 LEU 85 2HD1 LEU 85 -0.487 -1.923 2.358 596 3HD1 LEU 85 3HD1 LEU 85 -1.778 -1.747 1.146 597 1HD2 LEU 85 1HD2 LEU 85 0.450 -0.075 3.293 598 2HD2 LEU 85 2HD2 LEU 85 0.066 1.566 2.722 599 3HD2 LEU 85 3HD2 LEU 85 -1.228 0.516 3.348 600 H ALA 86 H ALA 86 3.060 0.293 -1.627 601 HA ALA 86 HA ALA 86 2.517 2.547 -3.172 602 1HB ALA 86 1HB ALA 86 4.873 2.001 -4.079 603 2HB ALA 86 2HB ALA 86 4.710 2.261 -2.326 604 3HB ALA 86 3HB ALA 86 4.838 0.608 -2.972 605 H PHE 87 H PHE 87 2.994 -0.930 -4.064 606 HA PHE 87 HA PHE 87 2.651 -0.421 -6.832 607 2HB PHE 87 2HB PHE 87 2.011 -3.106 -5.635 608 HD1 PHE 87 1HD PHE 87 5.252 -1.889 -6.938 609 HD2 PHE 87 2HD PHE 87 1.692 -4.036 -7.785 610 HE1 PHE 87 1HE PHE 87 6.255 -2.700 -9.090 611 HE2 PHE 87 2HE PHE 87 2.694 -4.847 -9.939 612 HZ PHE 87 HZ PHE 87 4.964 -4.170 -10.566 613 H LEU 88 H LEU 88 0.547 -1.864 -4.246 614 HA LEU 88 HA LEU 88 -1.633 -2.386 -5.865 615 2HB LEU 88 2HB LEU 88 -2.803 -1.882 -3.501 616 HG LEU 88 HG LEU 88 -2.806 -4.118 -4.342 617 1HD1 LEU 88 1HD1 LEU 88 -0.947 -4.827 -5.354 618 2HD1 LEU 88 2HD1 LEU 88 0.101 -3.768 -4.378 619 3HD1 LEU 88 3HD1 LEU 88 -0.417 -5.345 -3.734 620 1HD2 LEU 88 1HD2 LEU 88 -1.872 -3.604 -1.587 621 2HD2 LEU 88 2HD2 LEU 88 -3.296 -4.493 -2.179 622 3HD2 LEU 88 3HD2 LEU 88 -1.701 -5.283 -2.154 623 H ILE 89 H ILE 89 -0.881 0.565 -3.891 624 HA ILE 89 HA ILE 89 -3.161 1.966 -4.695 625 HB ILE 89 HB ILE 89 -0.473 2.946 -3.727 626 2HG1 ILE 89 2HG1 ILE 89 -1.855 1.313 -2.289 627 1HG2 ILE 89 1HG2 ILE 89 -3.009 4.506 -3.416 628 2HG2 ILE 89 2HG2 ILE 89 -1.319 5.062 -3.462 629 3HG2 ILE 89 3HG2 ILE 89 -2.135 4.568 -4.965 630 1HD1 ILE 89 1HD1 ILE 89 -1.110 4.096 -1.279 631 2HD1 ILE 89 2HD1 ILE 89 -1.436 2.694 -0.233 632 3HD1 ILE 89 3HD1 ILE 89 -0.044 2.673 -1.342 633 H ARG 90 H ARG 90 0.231 1.955 -5.967 634 HA ARG 90 HA ARG 90 0.163 3.845 -7.774 635 2HB ARG 90 2HB ARG 90 1.204 1.636 -9.245 636 2HG ARG 90 2HG ARG 90 2.816 3.153 -7.174 637 2HD ARG 90 2HD ARG 90 3.251 1.904 -9.880 638 HE ARG 90 HE ARG 90 4.183 3.977 -10.528 639 1HH1 ARG 90 2HH2 ARG 90 5.261 3.138 -7.259 640 2HH1 ARG 90 1HH2 ARG 90 6.469 4.378 -7.206 641 2HH2 ARG 90 1HH ARG 90 6.755 5.821 -9.097 642 H GLU 91 H GLU 91 -1.649 0.769 -7.931 643 HA GLU 91 HA GLU 91 -2.368 1.023 -10.632 644 2HB GLU 91 2HB GLU 91 -4.350 -0.527 -9.354 645 2HG GLU 91 2HG GLU 91 -2.387 -2.351 -9.974 646 HE2 GLU 91 HE GLU 91 -5.463 -2.452 -11.072 647 H LYS 92 H LYS 92 -3.988 1.848 -7.502 648 HA LYS 92 HA LYS 92 -6.191 3.040 -8.962 649 2HB LYS 92 2HB LYS 92 -6.704 1.661 -7.026 650 2HG LYS 92 2HG LYS 92 -5.891 3.434 -4.904 651 2HD LYS 92 2HD LYS 92 -4.568 0.770 -5.409 652 2HE LYS 92 2HE LYS 92 -6.089 1.340 -2.917 653 1HZ LYS 92 1HZ LYS 92 -4.257 0.259 -1.996 654 2HZ LYS 92 2HZ LYS 92 -4.309 -0.447 -3.463 655 H ALA 93 H ALA 93 -3.081 3.928 -8.355 656 HA ALA 93 HA ALA 93 -3.621 6.659 -8.792 657 1HB ALA 93 1HB ALA 93 -2.259 7.088 -6.452 658 2HB ALA 93 2HB ALA 93 -4.024 7.224 -6.626 659 3HB ALA 93 3HB ALA 93 -3.304 5.722 -5.997 660 H SER 94 H SER 94 -2.235 5.877 -10.570 661 HA SER 94 HA SER 94 0.414 5.093 -9.845 662 2HB SER 94 2HB SER 94 -0.859 4.189 -11.847 663 HG SER 94 HG SER 94 -1.435 6.572 -12.472 664 H HIS 95 H HIS 95 -0.892 7.903 -9.309 665 HA HIS 95 HA HIS 95 0.995 9.538 -10.803 666 2HB HIS 95 2HB HIS 95 -0.351 11.422 -9.727 667 HD1 HIS 95 1HD HIS 95 -3.379 11.162 -10.634 668 HD2 HIS 95 2HD HIS 95 -0.053 9.786 -12.789 669 HE1 HIS 95 1HE HIS 95 -4.112 11.032 -13.074 670 H ARG 96 H ARG 96 -0.270 10.197 -7.513 671 HA ARG 96 HA ARG 96 2.493 10.390 -6.676 672 2HB ARG 96 2HB ARG 96 1.797 11.998 -5.107 673 2HG ARG 96 2HG ARG 96 -0.687 12.411 -6.718 674 2HD ARG 96 2HD ARG 96 0.508 14.121 -5.191 675 HE ARG 96 HE ARG 96 2.772 13.486 -6.631 676 1HH1 ARG 96 2HH2 ARG 96 0.898 16.474 -6.295 677 2HH1 ARG 96 1HH2 ARG 96 2.264 17.507 -6.557 678 2HH2 ARG 96 1HH ARG 96 4.415 16.528 -6.955 679 H ILE 97 H ILE 97 3.219 8.437 -5.844 680 HA ILE 97 HA ILE 97 1.387 7.041 -4.020 681 HB ILE 97 HB ILE 97 3.496 5.993 -5.900 682 2HG1 ILE 97 2HG1 ILE 97 1.647 4.721 -6.858 683 1HG2 ILE 97 1HG2 ILE 97 2.054 4.543 -3.667 684 2HG2 ILE 97 2HG2 ILE 97 2.947 3.744 -4.983 685 3HG2 ILE 97 3HG2 ILE 97 3.806 4.802 -3.839 686 1HD1 ILE 97 1HD1 ILE 97 0.363 5.140 -4.433 687 2HD1 ILE 97 2HD1 ILE 97 -0.464 6.293 -5.509 688 3HD1 ILE 97 3HD1 ILE 97 -0.425 4.562 -5.922 689 H VAL 98 H VAL 98 2.651 5.706 -2.312 690 HA VAL 98 HA VAL 98 4.505 7.563 -1.084 691 HB VAL 98 HB VAL 98 2.795 6.807 0.333 692 1HG1 VAL 98 1HG1 VAL 98 1.717 4.967 -0.427 693 2HG1 VAL 98 2HG1 VAL 98 3.207 4.214 -1.043 694 3HG1 VAL 98 3HG1 VAL 98 2.809 4.113 0.688 695 1HG2 VAL 98 1HG2 VAL 98 5.274 6.661 1.136 696 2HG2 VAL 98 2HG2 VAL 98 3.982 5.980 2.152 697 3HG2 VAL 98 3HG2 VAL 98 4.984 4.906 1.147 698 H HIS 99 H HIS 99 6.642 6.987 -0.401 699 HA HIS 99 HA HIS 99 7.703 4.726 -1.932 700 2HB HIS 99 2HB HIS 99 9.905 6.128 -1.543 701 HD1 HIS 99 1HD HIS 99 8.096 8.656 -3.399 702 HD2 HIS 99 2HD HIS 99 9.429 4.757 -4.186 703 HE1 HIS 99 1HE HIS 99 8.104 8.403 -5.938 704 H ARG 100 H ARG 100 10.041 4.140 -0.804 705 HA ARG 100 HA ARG 100 9.605 4.062 2.051 706 2HB ARG 100 2HB ARG 100 10.206 1.601 2.073 707 2HG ARG 100 2HG ARG 100 7.715 2.803 1.256 708 2HD ARG 100 2HD ARG 100 6.944 0.387 0.298 709 HE ARG 100 HE ARG 100 7.058 2.867 -0.820 710 1HH1 ARG 100 2HH2 ARG 100 8.070 -0.282 -2.090 711 2HH1 ARG 100 1HH2 ARG 100 7.782 0.153 -3.742 712 2HH2 ARG 100 1HH ARG 100 6.964 2.347 -4.252 713 H VAL 101 H VAL 101 11.436 5.238 2.637 714 HA VAL 101 HA VAL 101 13.950 4.520 1.320 715 HB VAL 101 HB VAL 101 13.459 6.824 1.133 716 1HG1 VAL 101 1HG1 VAL 101 13.278 8.065 3.535 717 2HG1 VAL 101 2HG1 VAL 101 11.869 7.541 2.582 718 3HG1 VAL 101 3HG1 VAL 101 12.469 6.526 3.915 719 1HG2 VAL 101 1HG2 VAL 101 15.732 6.734 1.508 720 2HG2 VAL 101 2HG2 VAL 101 15.226 7.821 2.824 721 3HG2 VAL 101 3HG2 VAL 101 15.548 6.103 3.162 722 H VAL 102 H VAL 102 15.789 3.911 2.546 723 HA VAL 102 HA VAL 102 15.180 3.275 5.351 724 HB VAL 102 HB VAL 102 15.147 1.309 3.821 725 1HG1 VAL 102 1HG1 VAL 102 18.117 1.350 3.596 726 2HG1 VAL 102 2HG1 VAL 102 16.889 0.678 2.496 727 3HG1 VAL 102 3HG1 VAL 102 17.209 2.429 2.510 728 1HG2 VAL 102 1HG2 VAL 102 16.096 1.501 6.345 729 2HG2 VAL 102 2HG2 VAL 102 15.975 -0.034 5.452 730 3HG2 VAL 102 3HG2 VAL 102 17.529 0.830 5.530 731 H LYS 103 H LYS 103 16.129 5.295 6.006 732 HA LYS 103 HA LYS 103 18.857 5.118 6.545 733 2HB LYS 103 2HB LYS 103 18.344 7.265 4.492 734 2HG LYS 103 2HG LYS 103 20.978 6.251 4.410 735 2HD LYS 103 2HD LYS 103 20.176 8.634 6.110 736 2HE LYS 103 2HE LYS 103 22.633 7.841 5.532 737 1HZ LYS 103 1HZ LYS 103 21.828 7.907 3.026 738 2HZ LYS 103 2HZ LYS 103 22.257 9.474 3.134 739 H SER 104 H SER 104 16.003 7.231 5.956 740 HA SER 104 HA SER 104 16.531 8.360 8.580 741 2HB SER 104 2HB SER 104 15.548 10.043 6.242 742 HG SER 104 HG SER 104 15.376 11.523 7.768 743 H ASP 105 H ASP 105 14.382 9.803 9.156 744 HA ASP 105 HA ASP 105 12.226 7.924 8.734 745 2HB ASP 105 2HB ASP 105 11.991 10.342 10.522 746 HD2 ASP 105 HD ASP 105 10.634 9.175 12.754 747 H PHE 106 H PHE 106 10.315 8.538 7.614 748 HA PHE 106 HA PHE 106 9.930 11.348 7.011 749 2HB PHE 106 2HB PHE 106 9.537 9.513 4.696 750 HD1 PHE 106 1HD PHE 106 12.390 10.747 3.675 751 HD2 PHE 106 2HD PHE 106 8.701 12.290 5.096 752 HE1 PHE 106 1HE PHE 106 12.790 12.874 2.404 753 HE2 PHE 106 2HE PHE 106 9.101 14.417 3.825 754 HZ PHE 106 HZ PHE 106 11.141 14.684 2.494 755 H GLU 107 H GLU 107 7.755 11.901 6.789 756 HA GLU 107 HA GLU 107 5.942 9.665 7.202 757 2HB GLU 107 2HB GLU 107 4.347 11.452 8.014 758 2HG GLU 107 2HG GLU 107 6.931 11.821 9.530 759 HE2 GLU 107 HE GLU 107 5.563 13.285 11.116 760 H ILE 108 H ILE 108 3.991 9.479 5.937 761 HA ILE 108 HA ILE 108 3.808 11.283 3.652 762 HB ILE 108 HB ILE 108 3.476 8.383 3.108 763 2HG1 ILE 108 2HG1 ILE 108 6.119 9.694 3.693 764 1HG2 ILE 108 1HG2 ILE 108 2.931 9.854 1.334 765 2HG2 ILE 108 2HG2 ILE 108 4.417 10.806 1.565 766 3HG2 ILE 108 3HG2 ILE 108 4.513 9.146 0.931 767 1HD1 ILE 108 1HD1 ILE 108 6.421 7.899 5.098 768 2HD1 ILE 108 2HD1 ILE 108 4.642 7.851 5.065 769 3HD1 ILE 108 3HD1 ILE 108 5.581 6.774 4.003 770 H GLY 109 H GLY 109 1.682 11.572 2.878 771 1HA GLY 109 1HA GLY 109 -0.462 9.952 3.946 772 2HA GLY 109 2HA GLY 109 -0.383 11.572 4.610 773 H VAL 110 H VAL 110 -2.613 10.752 3.105 774 HA VAL 110 HA VAL 110 -2.431 12.645 0.923 775 HB VAL 110 HB VAL 110 -2.063 9.944 0.416 776 1HG1 VAL 110 1HG1 VAL 110 -4.431 9.496 0.904 777 2HG1 VAL 110 2HG1 VAL 110 -4.913 10.701 -0.314 778 3HG1 VAL 110 3HG1 VAL 110 -4.057 9.223 -0.814 779 1HG2 VAL 110 1HG2 VAL 110 -3.200 11.884 -1.606 780 2HG2 VAL 110 2HG2 VAL 110 -1.551 12.051 -0.957 781 3HG2 VAL 110 3HG2 VAL 110 -2.011 10.584 -1.853 782 H THR 111 H THR 111 -4.740 12.937 -0.050 783 HA THR 111 HA THR 111 -6.661 12.673 2.170 784 HB THR 111 HB THR 111 -7.637 14.795 0.965 785 HG1 THR 111 1HG THR 111 -5.950 14.189 -0.825 786 1HG2 THR 111 1HG2 THR 111 -6.618 15.369 3.021 787 2HG2 THR 111 2HG2 THR 111 -5.053 14.664 2.548 788 3HG2 THR 111 3HG2 THR 111 -5.570 16.223 1.862 789 H ARG 112 H ARG 112 -5.922 12.035 -1.202 790 HA ARG 112 HA ARG 112 -8.291 10.456 -1.310 791 2HB ARG 112 2HB ARG 112 -9.544 11.743 -2.720 792 2HG ARG 112 2HG ARG 112 -7.332 13.732 -2.065 793 2HD ARG 112 2HD ARG 112 -8.870 14.059 -4.285 794 HE ARG 112 HE ARG 112 -10.681 14.609 -2.035 795 1HH1 ARG 112 2HH2 ARG 112 -9.934 15.338 -5.421 796 2HH1 ARG 112 1HH2 ARG 112 -11.539 15.876 -5.788 797 2HH2 ARG 112 1HH ARG 112 -13.207 15.855 -4.068 798 H ASP 113 H ASP 113 -5.460 11.898 -3.040 799 HA ASP 113 HA ASP 113 -4.066 9.719 -3.490 800 2HB ASP 113 2HB ASP 113 -6.477 9.646 -5.175 801 HD2 ASP 113 HD ASP 113 -6.480 10.243 -7.173 802 H GLY 114 H GLY 114 -5.459 12.730 -4.650 803 1HA GLY 114 1HA GLY 114 -3.503 13.276 -6.682 804 2HA GLY 114 2HA GLY 114 -4.711 14.367 -6.033 805 H GLU 115 H GLU 115 -4.309 15.237 -3.748 806 HA GLU 115 HA GLU 115 -1.623 16.159 -3.677 807 2HB GLU 115 2HB GLU 115 -2.384 17.649 -1.932 808 2HG GLU 115 2HG GLU 115 -3.851 17.311 -4.398 809 HE2 GLU 115 HE GLU 115 -5.582 19.488 -2.086 810 H ILE 116 H ILE 116 -0.027 15.744 -2.078 811 HA ILE 116 HA ILE 116 -0.713 13.620 -0.175 812 HB ILE 116 HB ILE 116 1.298 12.465 -0.620 813 2HG1 ILE 116 2HG1 ILE 116 3.003 13.174 -2.171 814 1HG2 ILE 116 1HG2 ILE 116 -0.044 11.513 -2.150 815 2HG2 ILE 116 2HG2 ILE 116 -0.539 13.074 -2.847 816 3HG2 ILE 116 3HG2 ILE 116 1.011 12.339 -3.321 817 1HD1 ILE 116 1HD1 ILE 116 2.750 14.834 -3.709 818 2HD1 ILE 116 2HD1 ILE 116 1.009 14.713 -3.356 819 3HD1 ILE 116 3HD1 ILE 116 2.005 15.931 -2.522 820 H ILE 117 H ILE 117 0.931 13.519 1.664 821 HA ILE 117 HA ILE 117 2.095 16.162 2.146 822 HB ILE 117 HB ILE 117 1.291 16.007 4.492 823 2HG1 ILE 117 2HG1 ILE 117 0.063 13.514 3.435 824 1HG2 ILE 117 1HG2 ILE 117 -0.576 17.213 4.017 825 2HG2 ILE 117 2HG2 ILE 117 0.139 17.170 2.388 826 3HG2 ILE 117 3HG2 ILE 117 -1.170 16.041 2.815 827 1HD1 ILE 117 1HD1 ILE 117 0.192 13.107 6.020 828 2HD1 ILE 117 2HD1 ILE 117 1.714 13.171 5.097 829 3HD1 ILE 117 3HD1 ILE 117 1.187 14.584 6.042 830 H VAL 118 H VAL 118 4.067 16.140 3.243 831 HA VAL 118 HA VAL 118 4.995 13.525 4.164 832 HB VAL 118 HB VAL 118 7.245 14.407 3.041 833 1HG1 VAL 118 1HG1 VAL 118 6.089 13.114 0.881 834 2HG1 VAL 118 2HG1 VAL 118 6.880 12.332 2.271 835 3HG1 VAL 118 3HG1 VAL 118 5.114 12.555 2.261 836 1HG2 VAL 118 1HG2 VAL 118 6.328 16.438 2.093 837 2HG2 VAL 118 2HG2 VAL 118 6.747 15.317 0.776 838 3HG2 VAL 118 3HG2 VAL 118 5.048 15.519 1.266 839 H ASP 119 H ASP 119 6.765 13.676 5.724 840 HA ASP 119 HA ASP 119 7.721 16.162 6.547 841 2HB ASP 119 2HB ASP 119 5.877 14.915 8.607 842 HD2 ASP 119 HD ASP 119 6.095 16.484 10.610 843 H LEU 120 H LEU 120 9.678 15.651 7.571 844 HA LEU 120 HA LEU 120 10.156 12.886 8.211 845 2HB LEU 120 2HB LEU 120 12.469 13.706 8.624 846 HG LEU 120 HG LEU 120 11.304 13.335 6.171 847 1HD1 LEU 120 1HD1 LEU 120 12.015 15.125 4.692 848 2HD1 LEU 120 2HD1 LEU 120 10.883 15.746 5.916 849 3HD1 LEU 120 3HD1 LEU 120 12.628 16.060 6.077 850 1HD2 LEU 120 1HD2 LEU 120 13.594 13.246 5.295 851 2HD2 LEU 120 2HD2 LEU 120 14.183 14.082 6.752 852 3HD2 LEU 120 3HD2 LEU 120 13.462 12.461 6.886 853 H ASN 121 H ASN 121 8.152 13.596 9.861 854 HA ASN 121 HA ASN 121 7.547 13.617 11.942 855 2HB ASN 121 2HB ASN 121 10.479 12.899 12.322 856 1HD2 ASN 121 1HD2 ASN 121 7.756 12.043 14.331 857 2HD2 ASN 121 2HD2 ASN 121 8.292 12.779 15.805 858 H SER 122 H SER 122 7.240 15.231 13.607 859 HA SER 122 HA SER 122 9.278 17.214 13.944 860 2HB SER 122 2HB SER 122 6.585 18.371 13.313 861 HG SER 122 HG SER 122 8.050 19.960 13.661 Start of MODEL 15 1 H MET 1 H MET 1 9.180 4.540 -6.589 2 HA MET 1 HA MET 1 10.039 6.721 -8.324 3 2HB MET 1 2HB MET 1 12.355 5.412 -7.626 4 2HG MET 1 2HG MET 1 10.846 7.431 -5.895 5 1HE MET 1 1HE MET 1 13.855 8.950 -4.105 6 2HE MET 1 2HE MET 1 12.421 9.301 -5.099 7 3HE MET 1 3HE MET 1 12.250 8.390 -3.579 8 H ARG 2 H ARG 2 10.685 3.173 -7.784 9 HA ARG 2 HA ARG 2 10.213 2.729 -10.562 10 2HB ARG 2 2HB ARG 2 12.872 1.700 -9.551 11 2HG ARG 2 2HG ARG 2 13.273 2.465 -12.113 12 2HD ARG 2 2HD ARG 2 12.359 -0.024 -10.805 13 HE ARG 2 HE ARG 2 11.070 0.558 -13.260 14 1HH1 ARG 2 2HH2 ARG 2 13.140 -1.991 -11.928 15 2HH1 ARG 2 1HH2 ARG 2 12.488 -3.226 -12.952 16 2HH2 ARG 2 1HH ARG 2 10.766 -2.664 -14.521 17 H GLU 3 H GLU 3 11.818 1.272 -7.628 18 HA GLU 3 HA GLU 3 10.271 -1.134 -8.152 19 2HB GLU 3 2HB GLU 3 12.645 -1.568 -8.012 20 2HG GLU 3 2HG GLU 3 13.407 -1.000 -5.373 21 HE2 GLU 3 HE GLU 3 16.132 0.126 -7.040 22 H ARG 4 H ARG 4 8.582 -1.686 -6.825 23 HA ARG 4 HA ARG 4 8.573 -1.244 -4.117 24 2HB ARG 4 2HB ARG 4 8.323 1.162 -4.667 25 2HG ARG 4 2HG ARG 4 5.589 0.916 -5.758 26 2HD ARG 4 2HD ARG 4 8.010 2.616 -6.021 27 HE ARG 4 HE ARG 4 7.303 1.566 -8.427 28 1HH1 ARG 4 2HH2 ARG 4 6.626 4.751 -7.030 29 2HH1 ARG 4 1HH2 ARG 4 6.562 5.548 -8.566 30 2HH2 ARG 4 1HH ARG 4 6.915 4.275 -10.565 31 H GLY 5 H GLY 5 7.991 -3.376 -5.870 32 1HA GLY 5 1HA GLY 5 5.046 -3.588 -5.800 33 2HA GLY 5 2HA GLY 5 6.114 -4.464 -6.878 34 H TRP 6 H TRP 6 4.677 -6.277 -5.856 35 HA TRP 6 HA TRP 6 5.397 -7.016 -3.176 36 2HB TRP 6 2HB TRP 6 3.600 -8.315 -3.263 37 HD1 TRP 6 HD TRP 6 2.894 -5.401 -4.077 38 HE1 TRP 6 1HE TRP 6 0.961 -4.742 -5.748 39 HE3 TRP 6 3HE TRP 6 2.676 -9.905 -6.427 40 HZ2 TRP 6 2HZ TRP 6 -0.412 -6.146 -7.819 41 HZ3 TRP 6 3HZ TRP 6 1.012 -10.177 -8.262 42 HH2 TRP 6 HH TRP 6 -0.498 -8.389 -8.968 43 H SER 7 H SER 7 5.476 -9.015 -6.199 44 HA SER 7 HA SER 7 6.838 -10.684 -6.684 45 2HB SER 7 2HB SER 7 8.753 -8.323 -6.475 46 HG SER 7 HG SER 7 10.117 -9.492 -7.892 47 H GLN 8 H GLN 8 6.317 -11.346 -4.209 48 HA GLN 8 HA GLN 8 7.010 -12.011 -2.230 49 2HB GLN 8 2HB GLN 8 9.517 -13.138 -3.438 50 2HG GLN 8 2HG GLN 8 7.330 -13.951 -1.555 51 1HE2 GLN 8 1HE2 GLN 8 6.378 -15.844 -1.505 52 2HE2 GLN 8 2HE2 GLN 8 6.745 -17.222 -2.488 53 H LYS 9 H LYS 9 7.440 -9.701 -1.552 54 HA LYS 9 HA LYS 9 10.155 -8.812 -1.591 55 2HB LYS 9 2HB LYS 9 8.786 -7.238 0.233 56 2HG LYS 9 2HG LYS 9 8.467 -5.722 -1.783 57 2HD LYS 9 2HD LYS 9 10.955 -6.843 -0.742 58 2HE LYS 9 2HE LYS 9 11.513 -5.434 -3.306 59 1HZ LYS 9 1HZ LYS 9 12.913 -7.822 -2.934 60 2HZ LYS 9 2HZ LYS 9 13.481 -6.310 -2.724 61 H LYS 10 H LYS 10 8.021 -9.092 1.312 62 HA LYS 10 HA LYS 10 10.117 -10.711 2.559 63 2HB LYS 10 2HB LYS 10 8.853 -8.667 4.289 64 2HG LYS 10 2HG LYS 10 10.969 -10.443 4.484 65 2HD LYS 10 2HD LYS 10 11.961 -7.807 3.430 66 2HE LYS 10 2HE LYS 10 13.147 -9.318 5.781 67 1HZ LYS 10 1HZ LYS 10 14.567 -8.414 3.506 68 2HZ LYS 10 2HZ LYS 10 14.992 -7.497 4.783 69 H ILE 11 H ILE 11 7.072 -9.180 3.770 70 HA ILE 11 HA ILE 11 6.215 -11.793 4.660 71 HB ILE 11 HB ILE 11 4.791 -9.156 4.965 72 2HG1 ILE 11 2HG1 ILE 11 7.027 -8.782 5.771 73 1HG2 ILE 11 1HG2 ILE 11 3.896 -11.647 5.524 74 2HG2 ILE 11 2HG2 ILE 11 4.700 -11.243 7.060 75 3HG2 ILE 11 3HG2 ILE 11 3.417 -10.188 6.422 76 1HD1 ILE 11 1HD1 ILE 11 6.211 -9.241 8.447 77 2HD1 ILE 11 2HD1 ILE 11 6.032 -7.735 7.514 78 3HD1 ILE 11 3HD1 ILE 11 4.713 -8.930 7.536 79 H ALA 12 H ALA 12 6.371 -10.713 1.698 80 HA ALA 12 HA ALA 12 3.936 -10.339 0.597 81 1HB ALA 12 1HB ALA 12 5.047 -10.718 -1.347 82 2HB ALA 12 2HB ALA 12 6.478 -10.857 -0.299 83 3HB ALA 12 3HB ALA 12 5.616 -12.322 -0.826 84 H ARG 13 H ARG 13 5.292 -13.361 1.950 85 HA ARG 13 HA ARG 13 3.531 -15.129 0.867 86 2HB ARG 13 2HB ARG 13 4.063 -15.757 3.682 87 2HG ARG 13 2HG ARG 13 5.838 -17.196 2.053 88 2HD ARG 13 2HD ARG 13 2.947 -17.735 2.870 89 HE ARG 13 HE ARG 13 4.276 -19.207 0.941 90 1HH1 ARG 13 2HH2 ARG 13 3.288 -19.902 4.272 91 2HH1 ARG 13 1HH2 ARG 13 3.105 -21.602 3.994 92 2HH2 ARG 13 1HH ARG 13 3.549 -22.489 1.812 93 H GLU 14 H GLU 14 3.304 -13.461 4.102 94 HA GLU 14 HA GLU 14 0.783 -14.427 4.687 95 2HB GLU 14 2HB GLU 14 1.684 -11.719 5.675 96 2HG GLU 14 2HG GLU 14 0.716 -14.175 7.197 97 HE2 GLU 14 HE GLU 14 1.411 -12.537 9.862 98 H LEU 15 H LEU 15 1.877 -11.802 2.595 99 HA LEU 15 HA LEU 15 -0.559 -10.365 2.570 100 2HB LEU 15 2HB LEU 15 0.620 -9.711 0.233 101 HG LEU 15 HG LEU 15 0.236 -8.116 2.077 102 1HD1 LEU 15 1HD1 LEU 15 2.729 -9.360 3.268 103 2HD1 LEU 15 2HD1 LEU 15 2.007 -7.824 3.803 104 3HD1 LEU 15 3HD1 LEU 15 1.089 -9.340 3.959 105 1HD2 LEU 15 1HD2 LEU 15 1.436 -6.803 0.748 106 2HD2 LEU 15 2HD2 LEU 15 2.866 -7.212 1.725 107 3HD2 LEU 15 3HD2 LEU 15 2.488 -8.155 0.263 108 H LYS 16 H LYS 16 0.942 -12.709 0.231 109 HA LYS 16 HA LYS 16 -1.167 -12.806 -1.527 110 2HB LYS 16 2HB LYS 16 -0.189 -15.310 -1.731 111 2HG LYS 16 2HG LYS 16 0.252 -12.779 -2.952 112 2HD LYS 16 2HD LYS 16 2.833 -14.247 -2.251 113 2HE LYS 16 2HE LYS 16 3.566 -12.124 -3.855 114 1HZ LYS 16 1HZ LYS 16 4.069 -13.834 -5.467 115 2HZ LYS 16 2HZ LYS 16 4.327 -14.472 -3.990 116 H THR 17 H THR 17 -0.732 -14.377 1.651 117 HA THR 17 HA THR 17 -2.952 -16.132 1.359 118 HB THR 17 HB THR 17 -1.202 -15.128 3.645 119 HG1 THR 17 1HG THR 17 -0.269 -17.091 3.130 120 1HG2 THR 17 1HG2 THR 17 -2.517 -17.436 4.526 121 2HG2 THR 17 2HG2 THR 17 -2.849 -15.788 5.107 122 3HG2 THR 17 3HG2 THR 17 -3.834 -16.485 3.799 123 H THR 18 H THR 18 -2.576 -12.731 2.201 124 HA THR 18 HA THR 18 -5.163 -12.570 3.451 125 HB THR 18 HB THR 18 -2.933 -11.143 3.775 126 HG1 THR 18 1HG THR 18 -4.985 -10.774 4.855 127 1HG2 THR 18 1HG2 THR 18 -2.494 -9.548 2.199 128 2HG2 THR 18 2HG2 THR 18 -3.699 -10.327 1.145 129 3HG2 THR 18 3HG2 THR 18 -4.190 -9.006 2.234 130 H ARG 19 H ARG 19 -6.602 -10.614 2.535 131 HA ARG 19 HA ARG 19 -7.726 -9.738 0.860 132 2HB ARG 19 2HB ARG 19 -5.514 -10.557 -0.584 133 2HG ARG 19 2HG ARG 19 -7.975 -11.904 -1.796 134 2HD ARG 19 2HD ARG 19 -5.127 -11.971 -2.865 135 HE ARG 19 HE ARG 19 -7.360 -12.259 -4.691 136 1HH1 ARG 19 2HH2 ARG 19 -5.477 -14.023 -2.263 137 2HH1 ARG 19 1HH2 ARG 19 -5.832 -15.578 -2.938 138 2HH2 ARG 19 1HH ARG 19 -7.215 -15.724 -4.888 139 H GLN 20 H GLN 20 -9.873 -10.333 0.825 140 HA GLN 20 HA GLN 20 -10.417 -13.140 0.253 141 2HB GLN 20 2HB GLN 20 -12.185 -11.522 2.100 142 2HG GLN 20 2HG GLN 20 -12.371 -14.083 1.063 143 1HE2 GLN 20 1HE2 GLN 20 -11.208 -15.831 1.217 144 2HE2 GLN 20 2HE2 GLN 20 -10.405 -16.445 2.624 145 H ASN 21 H ASN 21 -10.534 -12.132 -2.006 146 HA ASN 21 HA ASN 21 -11.702 -11.512 -3.722 147 2HB ASN 21 2HB ASN 21 -14.350 -11.454 -3.344 148 1HD2 ASN 21 1HD2 ASN 21 -15.363 -13.829 -2.916 149 2HD2 ASN 21 2HD2 ASN 21 -14.561 -15.088 -3.794 150 H VAL 22 H VAL 22 -10.761 -9.525 -1.671 151 HA VAL 22 HA VAL 22 -12.790 -7.431 -1.976 152 HB VAL 22 HB VAL 22 -10.435 -7.708 -0.100 153 1HG1 VAL 22 1HG1 VAL 22 -10.585 -5.538 0.409 154 2HG1 VAL 22 2HG1 VAL 22 -11.646 -5.343 -1.007 155 3HG1 VAL 22 3HG1 VAL 22 -12.352 -5.643 0.600 156 1HG2 VAL 22 1HG2 VAL 22 -13.408 -8.107 0.205 157 2HG2 VAL 22 2HG2 VAL 22 -12.068 -9.161 0.718 158 3HG2 VAL 22 3HG2 VAL 22 -12.401 -7.651 1.599 159 H SER 23 H SER 23 -9.574 -6.401 -1.234 160 HA SER 23 HA SER 23 -9.414 -4.729 -3.371 161 2HB SER 23 2HB SER 23 -6.737 -5.374 -2.696 162 HG SER 23 HG SER 23 -8.221 -3.262 -2.655 163 H ALA 24 H ALA 24 -7.399 -7.737 -2.924 164 HA ALA 24 HA ALA 24 -6.250 -8.904 -4.457 165 1HB ALA 24 1HB ALA 24 -8.989 -9.383 -4.526 166 2HB ALA 24 2HB ALA 24 -8.561 -9.215 -6.245 167 3HB ALA 24 3HB ALA 24 -7.730 -10.422 -5.235 168 H ILE 25 H ILE 25 -5.394 -6.448 -4.912 169 HA ILE 25 HA ILE 25 -6.090 -5.397 -7.444 170 HB ILE 25 HB ILE 25 -3.495 -4.848 -6.054 171 2HG1 ILE 25 2HG1 ILE 25 -4.806 -4.776 -4.148 172 1HG2 ILE 25 1HG2 ILE 25 -3.659 -2.727 -7.002 173 2HG2 ILE 25 2HG2 ILE 25 -4.277 -3.803 -8.278 174 3HG2 ILE 25 3HG2 ILE 25 -5.413 -2.871 -7.272 175 1HD1 ILE 25 1HD1 ILE 25 -5.593 -2.036 -5.140 176 2HD1 ILE 25 2HD1 ILE 25 -4.928 -2.518 -3.560 177 3HD1 ILE 25 3HD1 ILE 25 -3.863 -2.430 -4.984 178 H GLU 26 H GLU 26 -3.758 -7.808 -6.257 179 HA GLU 26 HA GLU 26 -2.154 -7.801 -8.536 180 2HB GLU 26 2HB GLU 26 -1.449 -8.770 -6.372 181 2HG GLU 26 2HG GLU 26 -3.402 -11.027 -7.024 182 HE2 GLU 26 HE GLU 26 -2.456 -10.643 -3.505 183 H ARG 27 H ARG 27 -5.108 -9.634 -7.591 184 HA ARG 27 HA ARG 27 -5.030 -11.380 -9.742 185 2HB ARG 27 2HB ARG 27 -7.739 -11.114 -9.137 186 2HG ARG 27 2HG ARG 27 -7.049 -12.827 -7.205 187 2HD ARG 27 2HD ARG 27 -7.959 -13.264 -9.628 188 HE ARG 27 HE ARG 27 -5.064 -13.323 -10.109 189 1HH1 ARG 27 2HH2 ARG 27 -8.214 -14.519 -11.204 190 2HH1 ARG 27 1HH2 ARG 27 -7.664 -14.861 -12.811 191 2HH2 ARG 27 1HH ARG 27 -5.382 -14.416 -13.390 192 H LYS 28 H LYS 28 -7.067 -8.409 -9.174 193 HA LYS 28 HA LYS 28 -8.207 -8.351 -11.700 194 2HB LYS 28 2HB LYS 28 -9.018 -7.110 -9.721 195 2HG LYS 28 2HG LYS 28 -6.857 -5.063 -10.353 196 2HD LYS 28 2HD LYS 28 -7.550 -4.029 -8.315 197 2HE LYS 28 2HE LYS 28 -9.328 -4.219 -10.346 198 1HZ LYS 28 1HZ LYS 28 -10.772 -5.367 -8.016 199 2HZ LYS 28 2HZ LYS 28 -11.435 -4.981 -9.453 200 H ALA 29 H ALA 29 -5.130 -6.962 -10.446 201 HA ALA 29 HA ALA 29 -4.486 -5.479 -12.710 202 1HB ALA 29 1HB ALA 29 -3.319 -5.133 -10.642 203 2HB ALA 29 2HB ALA 29 -2.816 -6.838 -10.565 204 3HB ALA 29 3HB ALA 29 -2.125 -5.762 -11.803 205 H MET 30 H MET 30 -3.128 -8.714 -11.738 206 HA MET 30 HA MET 30 -1.934 -9.202 -14.148 207 2HB MET 30 2HB MET 30 -3.151 -11.518 -12.644 208 2HG MET 30 2HG MET 30 -0.403 -11.761 -12.548 209 1HE MET 30 1HE MET 30 0.453 -13.776 -13.363 210 2HE MET 30 2HE MET 30 -0.943 -14.398 -12.449 211 3HE MET 30 3HE MET 30 -0.547 -15.081 -14.045 212 H GLU 31 H GLU 31 -5.302 -9.093 -13.401 213 HA GLU 31 HA GLU 31 -6.119 -11.040 -15.282 214 2HB GLU 31 2HB GLU 31 -8.216 -9.144 -14.774 215 2HG GLU 31 2HG GLU 31 -8.845 -11.133 -13.122 216 HE2 GLU 31 HE GLU 31 -9.968 -12.926 -16.156 217 H ASN 32 H ASN 32 -4.271 -9.527 -16.637 218 HA ASN 32 HA ASN 32 -3.905 -8.270 -18.372 219 2HB ASN 32 2HB ASN 32 -5.988 -8.224 -20.071 220 1HD2 ASN 32 1HD2 ASN 32 -6.489 -11.296 -19.876 221 2HD2 ASN 32 2HD2 ASN 32 -5.061 -11.996 -20.563 222 H ILE 33 H ILE 33 -4.931 -6.879 -16.002 223 HA ILE 33 HA ILE 33 -6.991 -5.092 -16.625 224 HB ILE 33 HB ILE 33 -5.450 -5.757 -14.425 225 2HG1 ILE 33 2HG1 ILE 33 -7.755 -5.336 -14.205 226 1HG2 ILE 33 1HG2 ILE 33 -4.544 -3.689 -13.555 227 2HG2 ILE 33 2HG2 ILE 33 -3.769 -4.080 -15.108 228 3HG2 ILE 33 3HG2 ILE 33 -5.023 -2.819 -15.032 229 1HD1 ILE 33 1HD1 ILE 33 -6.173 -4.415 -12.341 230 2HD1 ILE 33 2HD1 ILE 33 -6.598 -2.811 -12.984 231 3HD1 ILE 33 3HD1 ILE 33 -7.870 -3.876 -12.340 232 H GLU 34 H GLU 34 -6.545 -2.585 -16.616 233 HA GLU 34 HA GLU 34 -4.192 -1.611 -17.636 234 2HB GLU 34 2HB GLU 34 -6.156 -1.703 -19.919 235 2HG GLU 34 2HG GLU 34 -3.253 -1.178 -19.450 236 HE2 GLU 34 HE GLU 34 -3.566 -0.922 -22.535 237 H LYS 35 H LYS 35 -6.151 -0.909 -15.695 238 HA LYS 35 HA LYS 35 -7.505 0.715 -15.022 239 2HB LYS 35 2HB LYS 35 -6.207 2.694 -16.834 240 2HG LYS 35 2HG LYS 35 -7.354 2.522 -14.139 241 2HD LYS 35 2HD LYS 35 -4.709 2.513 -13.818 242 2HE LYS 35 2HE LYS 35 -5.137 5.500 -14.050 243 1HZ LYS 35 1HZ LYS 35 -3.132 4.169 -13.030 244 2HZ LYS 35 2HZ LYS 35 -2.644 4.047 -14.579 245 H SER 36 H SER 36 -9.078 -0.709 -16.477 246 HA SER 36 HA SER 36 -10.250 1.153 -18.395 247 2HB SER 36 2HB SER 36 -11.243 -0.924 -19.477 248 HG SER 36 HG SER 36 -8.366 -1.106 -19.345 249 H ARG 37 H ARG 37 -10.774 -1.290 -15.805 250 HA ARG 37 HA ARG 37 -13.576 -0.828 -15.799 251 2HB ARG 37 2HB ARG 37 -13.005 -2.118 -13.401 252 2HG ARG 37 2HG ARG 37 -13.727 -2.932 -16.171 253 2HD ARG 37 2HD ARG 37 -12.910 -5.092 -14.183 254 HE ARG 37 HE ARG 37 -14.428 -5.248 -16.490 255 1HH1 ARG 37 2HH2 ARG 37 -11.238 -6.502 -15.592 256 2HH1 ARG 37 1HH2 ARG 37 -11.349 -7.879 -16.635 257 2HH2 ARG 37 1HH ARG 37 -13.319 -8.191 -17.964 258 H ASN 38 H ASN 38 -10.955 -0.407 -13.293 259 HA ASN 38 HA ASN 38 -10.571 1.206 -11.876 260 2HB ASN 38 2HB ASN 38 -11.402 3.406 -12.175 261 1HD2 ASN 38 1HD2 ASN 38 -13.168 3.857 -14.583 262 2HD2 ASN 38 2HD2 ASN 38 -12.150 3.606 -15.961 263 H THR 39 H THR 39 -12.103 -1.047 -11.153 264 HA THR 39 HA THR 39 -14.500 -0.189 -9.794 265 HB THR 39 HB THR 39 -12.963 -2.813 -10.098 266 HG1 THR 39 1HG THR 39 -14.306 -1.837 -11.856 267 1HG2 THR 39 1HG2 THR 39 -14.602 -3.943 -8.826 268 2HG2 THR 39 2HG2 THR 39 -14.378 -2.465 -7.858 269 3HG2 THR 39 3HG2 THR 39 -15.767 -2.604 -8.963 270 H LEU 40 H LEU 40 -11.726 -2.092 -8.477 271 HA LEU 40 HA LEU 40 -12.152 -1.356 -5.874 272 2HB LEU 40 2HB LEU 40 -10.584 -3.106 -7.018 273 HG LEU 40 HG LEU 40 -8.298 -2.690 -7.050 274 1HD1 LEU 40 1HD1 LEU 40 -8.751 -0.014 -8.126 275 2HD1 LEU 40 2HD1 LEU 40 -8.195 -1.500 -8.932 276 3HD1 LEU 40 3HD1 LEU 40 -9.936 -1.206 -8.711 277 1HD2 LEU 40 1HD2 LEU 40 -8.516 -1.284 -4.858 278 2HD2 LEU 40 2HD2 LEU 40 -7.128 -1.041 -5.945 279 3HD2 LEU 40 3HD2 LEU 40 -8.492 0.103 -5.972 280 H ASP 41 H ASP 41 -10.948 0.552 -8.529 281 HA ASP 41 HA ASP 41 -9.506 2.359 -6.891 282 2HB ASP 41 2HB ASP 41 -10.626 2.916 -9.667 283 HD2 ASP 41 HD ASP 41 -7.411 3.627 -10.200 284 H PHE 42 H PHE 42 -12.620 2.425 -8.789 285 HA PHE 42 HA PHE 42 -13.491 4.917 -8.135 286 2HB PHE 42 2HB PHE 42 -14.803 2.191 -8.577 287 HD1 PHE 42 1HD PHE 42 -16.973 1.751 -7.971 288 HD2 PHE 42 2HD PHE 42 -15.797 5.798 -8.474 289 HE1 PHE 42 1HE PHE 42 -19.274 2.503 -7.306 290 HE2 PHE 42 2HE PHE 42 -18.098 6.549 -7.809 291 HZ PHE 42 HZ PHE 42 -19.809 4.892 -7.233 292 H VAL 43 H VAL 43 -13.676 1.896 -6.188 293 HA VAL 43 HA VAL 43 -15.250 3.183 -4.157 294 HB VAL 43 HB VAL 43 -14.629 0.552 -4.979 295 1HG1 VAL 43 1HG1 VAL 43 -13.838 1.059 -2.090 296 2HG1 VAL 43 2HG1 VAL 43 -14.033 -0.536 -2.854 297 3HG1 VAL 43 3HG1 VAL 43 -12.748 0.564 -3.407 298 1HG2 VAL 43 1HG2 VAL 43 -16.509 1.947 -3.169 299 2HG2 VAL 43 2HG2 VAL 43 -16.814 0.724 -4.426 300 3HG2 VAL 43 3HG2 VAL 43 -16.250 0.222 -2.815 301 H LYS 44 H LYS 44 -11.828 2.192 -4.698 302 HA LYS 44 HA LYS 44 -10.825 2.644 -2.199 303 2HB LYS 44 2HB LYS 44 -8.794 3.514 -3.802 304 2HG LYS 44 2HG LYS 44 -8.212 1.056 -3.994 305 2HD LYS 44 2HD LYS 44 -9.350 1.778 -1.256 306 2HE LYS 44 2HE LYS 44 -6.911 0.599 -0.852 307 1HZ LYS 44 1HZ LYS 44 -9.294 -0.013 -0.071 308 2HZ LYS 44 2HZ LYS 44 -9.269 -1.120 -1.265 309 H SER 45 H SER 45 -12.002 4.964 -4.603 310 HA SER 45 HA SER 45 -10.719 7.213 -3.755 311 2HB SER 45 2HB SER 45 -13.580 6.892 -4.764 312 HG SER 45 HG SER 45 -12.058 9.157 -4.085 313 H LEU 46 H LEU 46 -13.129 5.259 -2.135 314 HA LEU 46 HA LEU 46 -13.980 7.384 -0.382 315 2HB LEU 46 2HB LEU 46 -14.905 5.056 0.703 316 HG LEU 46 HG LEU 46 -16.315 6.247 -1.679 317 1HD1 LEU 46 1HD1 LEU 46 -17.461 5.301 0.952 318 2HD1 LEU 46 2HD1 LEU 46 -18.310 5.612 -0.581 319 3HD1 LEU 46 3HD1 LEU 46 -17.206 4.223 -0.441 320 1HD2 LEU 46 1HD2 LEU 46 -17.282 7.726 0.381 321 2HD2 LEU 46 2HD2 LEU 46 -15.567 7.597 0.836 322 3HD2 LEU 46 3HD2 LEU 46 -16.019 8.271 -0.748 323 H LYS 47 H LYS 47 -11.095 5.945 -0.724 324 HA LYS 47 HA LYS 47 -10.417 4.726 1.611 325 2HB LYS 47 2HB LYS 47 -8.183 6.227 1.033 326 2HG LYS 47 2HG LYS 47 -8.366 4.091 -0.883 327 2HD LYS 47 2HD LYS 47 -6.642 4.935 1.128 328 2HE LYS 47 2HE LYS 47 -8.377 2.916 2.272 329 1HZ LYS 47 1HZ LYS 47 -7.091 1.111 1.869 330 2HZ LYS 47 2HZ LYS 47 -5.796 1.969 1.382 331 H SER 48 H SER 48 -10.832 8.236 0.955 332 HA SER 48 HA SER 48 -11.336 9.844 2.357 333 2HB SER 48 2HB SER 48 -10.811 8.581 4.961 334 HG SER 48 HG SER 48 -12.969 9.888 3.607 335 HA PRO 49 HA PRO 49 -7.485 11.302 3.835 336 2HB PRO 49 2HB PRO 49 -8.295 13.295 4.656 337 2HG PRO 49 2HG PRO 49 -10.487 13.225 5.368 338 2HD PRO 49 2HD PRO 49 -11.261 11.449 4.129 339 H VAL 50 H VAL 50 -5.657 10.284 4.344 340 HA VAL 50 HA VAL 50 -5.720 8.891 6.919 341 HB VAL 50 HB VAL 50 -4.673 7.739 4.327 342 1HG1 VAL 50 1HG1 VAL 50 -4.580 5.626 5.754 343 2HG1 VAL 50 2HG1 VAL 50 -3.363 6.876 6.103 344 3HG1 VAL 50 3HG1 VAL 50 -4.779 6.691 7.165 345 1HG2 VAL 50 1HG2 VAL 50 -6.854 7.319 3.928 346 2HG2 VAL 50 2HG2 VAL 50 -6.648 6.040 5.149 347 3HG2 VAL 50 3HG2 VAL 50 -7.328 7.618 5.617 348 H ARG 51 H ARG 51 -3.455 8.369 7.692 349 HA ARG 51 HA ARG 51 -1.386 9.853 6.418 350 2HB ARG 51 2HB ARG 51 -2.493 10.682 9.140 351 2HG ARG 51 2HG ARG 51 0.264 10.581 8.340 352 2HD ARG 51 2HD ARG 51 -1.036 13.186 7.830 353 HE ARG 51 HE ARG 51 1.462 13.662 9.246 354 1HH1 ARG 51 2HH2 ARG 51 -2.034 13.311 9.708 355 2HH1 ARG 51 1HH2 ARG 51 -2.060 14.241 11.170 356 2HH2 ARG 51 1HH ARG 51 -0.013 15.158 12.013 357 H ILE 52 H ILE 52 0.632 8.916 6.895 358 HA ILE 52 HA ILE 52 0.935 7.369 9.304 359 HB ILE 52 HB ILE 52 1.802 5.515 7.483 360 2HG1 ILE 52 2HG1 ILE 52 0.643 6.796 5.672 361 1HG2 ILE 52 1HG2 ILE 52 -0.766 4.688 8.195 362 2HG2 ILE 52 2HG2 ILE 52 0.749 4.387 9.081 363 3HG2 ILE 52 3HG2 ILE 52 -0.264 5.790 9.500 364 1HD1 ILE 52 1HD1 ILE 52 -0.196 3.975 6.420 365 2HD1 ILE 52 2HD1 ILE 52 -0.784 4.744 4.926 366 3HD1 ILE 52 3HD1 ILE 52 0.962 4.497 5.172 367 H LEU 53 H LEU 53 3.162 6.953 9.793 368 HA LEU 53 HA LEU 53 4.937 8.647 8.198 369 2HB LEU 53 2HB LEU 53 4.678 7.983 11.065 370 HG LEU 53 HG LEU 53 7.349 8.197 9.716 371 1HD1 LEU 53 1HD1 LEU 53 8.207 9.711 11.095 372 2HD1 LEU 53 2HD1 LEU 53 6.547 10.079 11.624 373 3HD1 LEU 53 3HD1 LEU 53 7.526 8.892 12.521 374 1HD2 LEU 53 1HD2 LEU 53 7.713 6.857 12.050 375 2HD2 LEU 53 2HD2 LEU 53 6.018 6.454 11.690 376 3HD2 LEU 53 3HD2 LEU 53 7.291 6.092 10.501 377 H CYS 54 H CYS 54 7.019 7.873 7.542 378 HA CYS 54 HA CYS 54 7.059 4.955 7.361 379 2HB CYS 54 2HB CYS 54 8.950 6.248 5.597 380 HG CYS 54 HG CYS 54 6.195 4.435 5.477 381 H ARG 55 H ARG 55 8.923 3.828 8.080 382 HA ARG 55 HA ARG 55 10.902 5.539 9.359 383 2HB ARG 55 2HB ARG 55 11.201 3.286 10.799 384 2HG ARG 55 2HG ARG 55 8.823 4.369 11.919 385 2HD ARG 55 2HD ARG 55 10.718 5.846 13.127 386 HE ARG 55 HE ARG 55 11.011 2.955 13.640 387 1HH1 ARG 55 2HH2 ARG 55 9.068 5.865 14.201 388 2HH1 ARG 55 1HH2 ARG 55 8.292 5.224 15.612 389 2HH2 ARG 55 1HH ARG 55 8.848 3.016 16.357 390 H ARG 56 H ARG 56 12.884 3.691 9.971 391 HA ARG 56 HA ARG 56 14.204 3.411 7.628 392 2HB ARG 56 2HB ARG 56 15.389 3.262 9.741 393 2HG ARG 56 2HG ARG 56 13.907 0.637 10.235 394 2HD ARG 56 2HD ARG 56 16.259 1.937 11.432 395 HE ARG 56 HE ARG 56 13.850 1.933 13.053 396 1HH1 ARG 56 2HH2 ARG 56 17.339 1.334 13.197 397 2HH1 ARG 56 1HH2 ARG 56 17.454 1.680 14.890 398 2HH2 ARG 56 1HH ARG 56 15.479 2.300 16.099 399 H GLY 57 H GLY 57 14.174 1.934 5.934 400 1HA GLY 57 1HA GLY 57 12.110 0.175 5.520 401 2HA GLY 57 2HA GLY 57 13.672 0.100 4.730 402 H ASP 58 H ASP 58 15.035 -0.242 7.479 403 HA ASP 58 HA ASP 58 15.194 -2.992 7.387 404 2HB ASP 58 2HB ASP 58 16.018 -0.848 9.342 405 HD2 ASP 58 HD ASP 58 17.721 -4.029 10.048 406 H THR 59 H THR 59 13.079 -0.721 9.132 407 HA THR 59 HA THR 59 11.928 -2.950 10.668 408 HB THR 59 HB THR 59 12.862 -0.475 11.505 409 HG1 THR 59 1HG THR 59 11.702 -1.189 13.404 410 1HG2 THR 59 1HG2 THR 59 11.030 0.972 11.967 411 2HG2 THR 59 2HG2 THR 59 10.718 0.478 10.285 412 3HG2 THR 59 3HG2 THR 59 9.829 -0.295 11.620 413 H LEU 60 H LEU 60 11.567 -1.735 7.704 414 HA LEU 60 HA LEU 60 9.022 -0.777 7.462 415 2HB LEU 60 2HB LEU 60 10.106 -2.760 5.497 416 HG LEU 60 HG LEU 60 8.023 -1.400 5.002 417 1HD1 LEU 60 1HD1 LEU 60 9.316 0.992 4.148 418 2HD1 LEU 60 2HD1 LEU 60 8.003 0.791 5.334 419 3HD1 LEU 60 3HD1 LEU 60 9.701 0.734 5.866 420 1HD2 LEU 60 1HD2 LEU 60 9.143 -2.425 3.188 421 2HD2 LEU 60 2HD2 LEU 60 8.845 -0.739 2.702 422 3HD2 LEU 60 3HD2 LEU 60 10.469 -1.238 3.234 423 H ASP 61 H ASP 61 10.134 -4.166 7.904 424 HA ASP 61 HA ASP 61 7.755 -5.402 7.377 425 2HB ASP 61 2HB ASP 61 9.912 -6.575 7.765 426 HD2 ASP 61 HD ASP 61 8.944 -6.508 11.315 427 H GLU 62 H GLU 62 9.127 -4.119 10.492 428 HA GLU 62 HA GLU 62 6.822 -4.817 11.962 429 2HB GLU 62 2HB GLU 62 8.586 -2.683 13.048 430 2HG GLU 62 2HG GLU 62 8.755 -5.056 14.563 431 HE2 GLU 62 HE GLU 62 7.670 -4.600 16.632 432 H ILE 63 H ILE 63 8.063 -1.850 10.357 433 HA ILE 63 HA ILE 63 6.251 -0.045 11.423 434 HB ILE 63 HB ILE 63 8.342 -0.008 9.634 435 2HG1 ILE 63 2HG1 ILE 63 7.779 2.508 9.568 436 1HG2 ILE 63 1HG2 ILE 63 5.976 1.114 8.135 437 2HG2 ILE 63 2HG2 ILE 63 7.648 0.878 7.572 438 3HG2 ILE 63 3HG2 ILE 63 6.594 -0.529 7.851 439 1HD1 ILE 63 1HD1 ILE 63 5.932 1.921 11.855 440 2HD1 ILE 63 2HD1 ILE 63 5.959 3.312 10.743 441 3HD1 ILE 63 3HD1 ILE 63 5.259 1.764 10.215 442 H ILE 64 H ILE 64 5.860 -2.619 9.043 443 HA ILE 64 HA ILE 64 3.555 -1.622 7.795 444 HB ILE 64 HB ILE 64 4.787 -4.341 8.119 445 2HG1 ILE 64 2HG1 ILE 64 5.514 -2.310 6.525 446 1HG2 ILE 64 1HG2 ILE 64 2.601 -5.055 7.995 447 2HG2 ILE 64 2HG2 ILE 64 2.078 -3.655 7.029 448 3HG2 ILE 64 3HG2 ILE 64 3.035 -4.951 6.271 449 1HD1 ILE 64 1HD1 ILE 64 5.896 -5.147 6.620 450 2HD1 ILE 64 2HD1 ILE 64 5.671 -4.700 4.912 451 3HD1 ILE 64 3HD1 ILE 64 6.954 -3.926 5.872 452 H LYS 65 H LYS 65 4.036 -3.849 10.613 453 HA LYS 65 HA LYS 65 1.299 -4.208 11.084 454 2HB LYS 65 2HB LYS 65 3.142 -5.676 11.900 455 2HG LYS 65 2HG LYS 65 3.829 -3.173 13.345 456 2HD LYS 65 2HD LYS 65 2.847 -5.284 14.938 457 2HE LYS 65 2HE LYS 65 5.820 -5.183 15.434 458 1HZ LYS 65 1HZ LYS 65 4.051 -6.280 16.893 459 2HZ LYS 65 2HZ LYS 65 3.926 -7.434 15.749 460 H ARG 66 H ARG 66 3.631 -1.669 11.978 461 HA ARG 66 HA ARG 66 1.935 -0.550 13.928 462 2HB ARG 66 2HB ARG 66 3.557 1.477 13.569 463 2HG ARG 66 2HG ARG 66 5.569 -0.100 14.376 464 2HD ARG 66 2HD ARG 66 3.196 1.026 15.675 465 HE ARG 66 HE ARG 66 3.901 -1.670 16.504 466 1HH1 ARG 66 2HH2 ARG 66 2.889 1.492 17.742 467 2HH1 ARG 66 1HH2 ARG 66 2.185 0.841 19.185 468 2HH2 ARG 66 1HH ARG 66 2.244 -1.526 19.554 469 H LEU 67 H LEU 67 2.487 -0.141 10.420 470 HA LEU 67 HA LEU 67 1.137 2.311 10.150 471 2HB LEU 67 2HB LEU 67 0.947 1.470 7.725 472 HG LEU 67 HG LEU 67 3.597 1.832 9.121 473 1HD1 LEU 67 1HD1 LEU 67 4.610 2.013 6.834 474 2HD1 LEU 67 2HD1 LEU 67 4.134 0.367 7.315 475 3HD1 LEU 67 3HD1 LEU 67 3.120 1.292 6.181 476 1HD2 LEU 67 1HD2 LEU 67 3.460 3.877 7.440 477 2HD2 LEU 67 2HD2 LEU 67 1.714 3.550 7.567 478 3HD2 LEU 67 3HD2 LEU 67 2.661 3.910 9.031 479 H LEU 68 H LEU 68 0.087 -1.135 9.738 480 HA LEU 68 HA LEU 68 -2.470 -0.712 8.922 481 2HB LEU 68 2HB LEU 68 -1.041 -2.859 9.457 482 HG LEU 68 HG LEU 68 -1.393 -2.538 11.995 483 1HD1 LEU 68 1HD1 LEU 68 -3.631 -3.846 12.587 484 2HD1 LEU 68 2HD1 LEU 68 -3.582 -2.075 12.415 485 3HD1 LEU 68 3HD1 LEU 68 -4.176 -3.083 11.073 486 1HD2 LEU 68 1HD2 LEU 68 -2.294 -5.225 11.701 487 2HD2 LEU 68 2HD2 LEU 68 -1.232 -4.843 10.325 488 3HD2 LEU 68 3HD2 LEU 68 -0.644 -4.623 11.991 489 H GLU 69 H GLU 69 -1.168 -0.592 12.289 490 HA GLU 69 HA GLU 69 -3.601 -0.249 13.528 491 2HB GLU 69 2HB GLU 69 -2.322 0.496 15.449 492 2HG GLU 69 2HG GLU 69 -0.122 -1.121 14.348 493 HE2 GLU 69 HE GLU 69 -0.196 -1.481 17.640 494 H GLU 70 H GLU 70 -1.713 1.920 11.532 495 HA GLU 70 HA GLU 70 -3.094 4.227 12.580 496 2HB GLU 70 2HB GLU 70 -1.642 5.456 10.883 497 2HG GLU 70 2HG GLU 70 0.534 4.204 12.182 498 HE2 GLU 70 HE GLU 70 -0.055 7.209 11.435 499 H SER 71 H SER 71 -2.871 2.177 9.635 500 HA SER 71 HA SER 71 -4.842 3.822 8.336 501 2HB SER 71 2HB SER 71 -4.458 2.387 6.389 502 HG SER 71 HG SER 71 -1.997 2.454 6.388 503 H ASN 72 H ASN 72 -4.458 0.252 8.978 504 HA ASN 72 HA ASN 72 -6.873 -0.620 8.430 505 2HB ASN 72 2HB ASN 72 -5.896 -1.496 11.134 506 1HD2 ASN 72 1HD2 ASN 72 -7.195 -3.127 11.459 507 2HD2 ASN 72 2HD2 ASN 72 -7.658 -4.346 10.319 508 H LYS 73 H LYS 73 -5.909 1.387 11.234 509 HA LYS 73 HA LYS 73 -8.077 1.061 12.885 510 2HB LYS 73 2HB LYS 73 -7.216 3.820 12.839 511 2HG LYS 73 2HG LYS 73 -5.951 2.525 14.948 512 2HD LYS 73 2HD LYS 73 -7.595 4.483 14.980 513 2HE LYS 73 2HE LYS 73 -9.507 2.149 14.708 514 1HZ LYS 73 1HZ LYS 73 -11.212 3.524 15.701 515 2HZ LYS 73 2HZ LYS 73 -10.033 3.339 16.809 516 H GLU 74 H GLU 74 -7.665 3.359 10.111 517 HA GLU 74 HA GLU 74 -10.545 3.775 10.267 518 2HB GLU 74 2HB GLU 74 -8.980 5.782 10.483 519 2HG GLU 74 2HG GLU 74 -7.882 4.644 8.097 520 HE2 GLU 74 HE GLU 74 -9.650 8.098 7.147 521 H GLY 75 H GLY 75 -8.743 1.573 8.934 522 1HA GLY 75 1HA GLY 75 -9.967 1.811 6.249 523 2HA GLY 75 2HA GLY 75 -8.344 1.201 6.506 524 H ILE 76 H ILE 76 -9.390 -0.709 5.295 525 HA ILE 76 HA ILE 76 -11.075 -2.332 7.022 526 HB ILE 76 HB ILE 76 -11.701 -2.006 4.683 527 2HG1 ILE 76 2HG1 ILE 76 -10.933 -4.838 5.442 528 1HG2 ILE 76 1HG2 ILE 76 -9.650 -1.716 3.551 529 2HG2 ILE 76 2HG2 ILE 76 -9.017 -3.276 4.127 530 3HG2 ILE 76 3HG2 ILE 76 -10.337 -3.237 2.933 531 1HD1 ILE 76 1HD1 ILE 76 -12.477 -4.168 7.065 532 2HD1 ILE 76 2HD1 ILE 76 -13.271 -3.005 5.976 533 3HD1 ILE 76 3HD1 ILE 76 -13.568 -4.750 5.784 534 H HIS 77 H HIS 77 -10.508 -4.635 7.402 535 HA HIS 77 HA HIS 77 -7.946 -4.826 8.469 536 2HB HIS 77 2HB HIS 77 -9.314 -7.362 7.838 537 HD1 HIS 77 1HD HIS 77 -10.233 -7.842 10.780 538 HD2 HIS 77 2HD HIS 77 -6.541 -6.183 9.677 539 HE1 HIS 77 1HE HIS 77 -8.652 -8.248 12.741 540 H VAL 78 H VAL 78 -6.197 -4.553 7.116 541 HA VAL 78 HA VAL 78 -5.945 -6.567 5.007 542 HB VAL 78 HB VAL 78 -5.768 -3.590 4.778 543 1HG1 VAL 78 1HG1 VAL 78 -3.825 -5.504 3.663 544 2HG1 VAL 78 2HG1 VAL 78 -4.568 -4.426 2.456 545 3HG1 VAL 78 3HG1 VAL 78 -3.718 -3.738 3.860 546 1HG2 VAL 78 1HG2 VAL 78 -6.547 -5.391 2.533 547 2HG2 VAL 78 2HG2 VAL 78 -7.637 -5.321 3.939 548 3HG2 VAL 78 3HG2 VAL 78 -7.237 -3.833 3.049 549 H ILE 79 H ILE 79 -3.929 -7.523 4.910 550 HA ILE 79 HA ILE 79 -1.996 -6.491 6.865 551 HB ILE 79 HB ILE 79 -1.207 -8.720 7.133 552 2HG1 ILE 79 2HG1 ILE 79 -2.023 -9.166 4.548 553 1HG2 ILE 79 1HG2 ILE 79 -4.095 -9.342 7.212 554 2HG2 ILE 79 2HG2 ILE 79 -2.866 -9.392 8.498 555 3HG2 ILE 79 3HG2 ILE 79 -3.606 -7.841 8.033 556 1HD1 ILE 79 1HD1 ILE 79 -1.705 -11.723 5.718 557 2HD1 ILE 79 2HD1 ILE 79 -0.434 -10.722 4.976 558 3HD1 ILE 79 3HD1 ILE 79 -0.739 -10.621 6.728 559 H HIS 80 H HIS 80 -2.073 -5.111 4.494 560 HA HIS 80 HA HIS 80 -0.180 -6.348 2.701 561 2HB HIS 80 2HB HIS 80 -0.512 -4.213 1.405 562 HD1 HIS 80 1HD HIS 80 -3.263 -3.705 0.391 563 HD2 HIS 80 2HD HIS 80 -2.155 -7.422 1.989 564 HE1 HIS 80 1HE HIS 80 -4.914 -5.408 -0.549 565 H ASP 81 H ASP 81 1.763 -4.994 1.961 566 HA ASP 81 HA ASP 81 2.981 -3.926 4.372 567 2HB ASP 81 2HB ASP 81 5.134 -4.239 3.018 568 HD2 ASP 81 HD ASP 81 2.864 -6.228 4.652 569 H SER 82 H SER 82 4.673 -2.077 3.848 570 HA SER 82 HA SER 82 3.287 -0.003 2.622 571 2HB SER 82 2HB SER 82 6.257 -0.167 3.304 572 HG SER 82 HG SER 82 5.778 2.202 3.728 573 H ILE 83 H ILE 83 5.641 -2.390 1.466 574 HA ILE 83 HA ILE 83 6.340 -0.935 -0.885 575 HB ILE 83 HB ILE 83 6.664 -3.884 -0.348 576 2HG1 ILE 83 2HG1 ILE 83 7.548 -2.807 1.590 577 1HG2 ILE 83 1HG2 ILE 83 7.744 -3.932 -2.282 578 2HG2 ILE 83 2HG2 ILE 83 7.330 -2.221 -2.547 579 3HG2 ILE 83 3HG2 ILE 83 8.849 -2.652 -1.725 580 1HD1 ILE 83 1HD1 ILE 83 9.672 -3.704 1.526 581 2HD1 ILE 83 2HD1 ILE 83 9.077 -4.382 -0.009 582 3HD1 ILE 83 3HD1 ILE 83 10.074 -2.907 -0.014 583 H THR 84 H THR 84 3.931 -3.427 0.037 584 HA THR 84 HA THR 84 3.062 -3.821 -2.664 585 HB THR 84 HB THR 84 2.557 -4.874 0.056 586 HG1 THR 84 1HG THR 84 3.536 -5.832 -1.995 587 1HG2 THR 84 1HG2 THR 84 0.285 -4.784 -2.000 588 2HG2 THR 84 2HG2 THR 84 0.302 -5.766 -0.515 589 3HG2 THR 84 3HG2 THR 84 0.252 -3.990 -0.407 590 H LEU 85 H LEU 85 2.153 -1.707 0.062 591 HA LEU 85 HA LEU 85 -0.323 -0.913 -0.931 592 2HB LEU 85 2HB LEU 85 0.555 1.269 0.420 593 HG LEU 85 HG LEU 85 -1.373 0.127 1.220 594 1HD1 LEU 85 1HD1 LEU 85 0.262 -2.214 0.974 595 2HD1 LEU 85 2HD1 LEU 85 -0.400 -2.134 2.625 596 3HD1 LEU 85 3HD1 LEU 85 -1.496 -2.087 1.222 597 1HD2 LEU 85 1HD2 LEU 85 -1.123 0.612 3.407 598 2HD2 LEU 85 2HD2 LEU 85 0.321 -0.414 3.587 599 3HD2 LEU 85 3HD2 LEU 85 0.466 1.212 2.876 600 H ALA 86 H ALA 86 3.021 0.232 -1.593 601 HA ALA 86 HA ALA 86 2.297 2.481 -3.080 602 1HB ALA 86 1HB ALA 86 4.683 1.740 -4.152 603 2HB ALA 86 2HB ALA 86 4.523 2.543 -2.572 604 3HB ALA 86 3HB ALA 86 4.701 0.775 -2.657 605 H PHE 87 H PHE 87 2.922 -0.956 -4.026 606 HA PHE 87 HA PHE 87 2.479 -0.454 -6.774 607 2HB PHE 87 2HB PHE 87 1.968 -3.153 -5.521 608 HD1 PHE 87 1HD PHE 87 1.642 -4.319 -7.510 609 HD2 PHE 87 2HD PHE 87 4.949 -1.679 -7.194 610 HE1 PHE 87 1HE PHE 87 2.509 -5.141 -9.718 611 HE2 PHE 87 2HE PHE 87 5.815 -2.500 -9.401 612 HZ PHE 87 HZ PHE 87 4.586 -4.221 -10.637 613 H LEU 88 H LEU 88 0.479 -1.925 -4.125 614 HA LEU 88 HA LEU 88 -1.720 -2.536 -5.692 615 2HB LEU 88 2HB LEU 88 -2.834 -2.022 -3.290 616 HG LEU 88 HG LEU 88 -2.850 -4.257 -4.149 617 1HD1 LEU 88 1HD1 LEU 88 -0.916 -4.730 -5.256 618 2HD1 LEU 88 2HD1 LEU 88 0.118 -4.002 -4.004 619 3HD1 LEU 88 3HD1 LEU 88 -0.602 -5.608 -3.740 620 1HD2 LEU 88 1HD2 LEU 88 -1.906 -3.725 -1.410 621 2HD2 LEU 88 2HD2 LEU 88 -3.302 -4.665 -1.990 622 3HD2 LEU 88 3HD2 LEU 88 -1.682 -5.401 -1.968 623 H ILE 89 H ILE 89 -0.983 0.462 -3.788 624 HA ILE 89 HA ILE 89 -3.328 1.791 -4.513 625 HB ILE 89 HB ILE 89 -0.627 2.698 -3.550 626 2HG1 ILE 89 2HG1 ILE 89 -2.605 1.431 -2.209 627 1HG2 ILE 89 1HG2 ILE 89 -3.039 4.387 -4.238 628 2HG2 ILE 89 2HG2 ILE 89 -1.758 4.918 -3.122 629 3HG2 ILE 89 3HG2 ILE 89 -1.365 4.557 -4.819 630 1HD1 ILE 89 1HD1 ILE 89 -1.136 1.765 -0.516 631 2HD1 ILE 89 2HD1 ILE 89 -0.233 2.850 -1.601 632 3HD1 ILE 89 3HD1 ILE 89 -1.471 3.513 -0.506 633 H ARG 90 H ARG 90 0.013 1.896 -5.923 634 HA ARG 90 HA ARG 90 -0.244 3.736 -7.776 635 2HB ARG 90 2HB ARG 90 0.900 1.531 -9.199 636 2HG ARG 90 2HG ARG 90 2.666 3.083 -7.367 637 2HD ARG 90 2HD ARG 90 3.881 3.511 -9.447 638 HE ARG 90 HE ARG 90 3.495 0.942 -8.530 639 1HH1 ARG 90 2HH2 ARG 90 3.868 2.293 -11.784 640 2HH1 ARG 90 1HH2 ARG 90 4.585 0.856 -12.433 641 2HH2 ARG 90 1HH ARG 90 4.914 -1.040 -11.004 642 H GLU 91 H GLU 91 -1.827 0.531 -7.788 643 HA GLU 91 HA GLU 91 -2.663 0.685 -10.471 644 2HB GLU 91 2HB GLU 91 -4.428 -1.063 -9.225 645 2HG GLU 91 2HG GLU 91 -2.622 -2.813 -9.790 646 HE2 GLU 91 HE GLU 91 -2.810 -2.196 -13.301 647 H LYS 92 H LYS 92 -4.209 1.384 -7.275 648 HA LYS 92 HA LYS 92 -6.577 2.356 -8.645 649 2HB LYS 92 2HB LYS 92 -6.790 0.910 -6.653 650 2HG LYS 92 2HG LYS 92 -6.256 2.965 -4.667 651 2HD LYS 92 2HD LYS 92 -4.668 0.410 -4.936 652 2HE LYS 92 2HE LYS 92 -6.180 1.654 -2.591 653 1HZ LYS 92 1HZ LYS 92 -4.872 0.130 -1.318 654 2HZ LYS 92 2HZ LYS 92 -5.539 -0.764 -2.506 655 H ALA 93 H ALA 93 -3.536 3.525 -8.139 656 HA ALA 93 HA ALA 93 -4.265 6.171 -8.641 657 1HB ALA 93 1HB ALA 93 -4.848 5.725 -6.077 658 2HB ALA 93 2HB ALA 93 -3.100 5.996 -5.879 659 3HB ALA 93 3HB ALA 93 -4.120 7.260 -6.608 660 H SER 94 H SER 94 -2.691 5.637 -10.284 661 HA SER 94 HA SER 94 -0.123 4.788 -9.574 662 2HB SER 94 2HB SER 94 -0.143 6.240 -12.087 663 HG SER 94 HG SER 94 1.006 4.457 -12.381 664 H HIS 95 H HIS 95 -1.698 7.710 -9.003 665 HA HIS 95 HA HIS 95 0.689 9.322 -9.403 666 2HB HIS 95 2HB HIS 95 -0.917 11.181 -8.674 667 HD1 HIS 95 1HD HIS 95 -3.443 10.449 -10.896 668 HD2 HIS 95 2HD HIS 95 0.706 10.775 -11.421 669 HE1 HIS 95 1HE HIS 95 -3.071 10.918 -13.377 670 H ARG 96 H ARG 96 -1.822 9.323 -6.790 671 HA ARG 96 HA ARG 96 0.081 10.037 -4.887 672 2HB ARG 96 2HB ARG 96 -2.324 10.581 -4.648 673 2HG ARG 96 2HG ARG 96 -2.697 7.858 -5.354 674 2HD ARG 96 2HD ARG 96 -3.460 8.457 -2.464 675 HE ARG 96 HE ARG 96 -4.950 6.863 -4.411 676 1HH1 ARG 96 2HH2 ARG 96 -4.078 7.136 -0.988 677 2HH1 ARG 96 1HH2 ARG 96 -5.453 6.235 -0.439 678 2HH2 ARG 96 1HH ARG 96 -7.017 5.385 -2.043 679 H ILE 97 H ILE 97 1.730 8.647 -4.290 680 HA ILE 97 HA ILE 97 0.924 5.941 -3.516 681 HB ILE 97 HB ILE 97 3.463 6.537 -5.025 682 2HG1 ILE 97 2HG1 ILE 97 1.225 6.964 -6.290 683 1HG2 ILE 97 1HG2 ILE 97 3.544 4.114 -5.318 684 2HG2 ILE 97 2HG2 ILE 97 3.503 4.553 -3.594 685 3HG2 ILE 97 3HG2 ILE 97 2.035 3.940 -4.391 686 1HD1 ILE 97 1HD1 ILE 97 2.188 5.982 -8.342 687 2HD1 ILE 97 2HD1 ILE 97 3.466 6.746 -7.368 688 3HD1 ILE 97 3HD1 ILE 97 3.281 4.976 -7.362 689 H VAL 98 H VAL 98 2.502 4.933 -1.975 690 HA VAL 98 HA VAL 98 3.738 7.052 -0.358 691 HB VAL 98 HB VAL 98 2.009 6.175 0.910 692 1HG1 VAL 98 1HG1 VAL 98 1.786 3.589 1.162 693 2HG1 VAL 98 2HG1 VAL 98 1.139 4.384 -0.294 694 3HG1 VAL 98 3HG1 VAL 98 2.701 3.535 -0.363 695 1HG2 VAL 98 1HG2 VAL 98 3.048 5.226 2.771 696 2HG2 VAL 98 2HG2 VAL 98 4.174 4.265 1.781 697 3HG2 VAL 98 3HG2 VAL 98 4.396 6.026 1.926 698 H HIS 99 H HIS 99 5.922 7.018 -0.171 699 HA HIS 99 HA HIS 99 7.255 4.620 -1.165 700 2HB HIS 99 2HB HIS 99 9.166 6.020 -1.581 701 HD1 HIS 99 1HD HIS 99 8.542 8.930 -2.776 702 HD2 HIS 99 2HD HIS 99 6.264 5.457 -3.364 703 HE1 HIS 99 1HE HIS 99 7.240 9.287 -4.941 704 H ARG 100 H ARG 100 9.736 4.789 0.020 705 HA ARG 100 HA ARG 100 9.528 5.287 2.773 706 2HB ARG 100 2HB ARG 100 8.236 3.125 2.627 707 2HG ARG 100 2HG ARG 100 9.956 2.359 0.689 708 2HD ARG 100 2HD ARG 100 10.981 0.665 2.961 709 HE ARG 100 HE ARG 100 11.497 0.745 0.238 710 1HH1 ARG 100 2HH2 ARG 100 13.494 1.234 3.124 711 2HH1 ARG 100 1HH2 ARG 100 14.948 0.678 2.363 712 2HH2 ARG 100 1HH ARG 100 14.877 -0.036 0.076 713 H VAL 101 H VAL 101 11.619 5.645 3.537 714 HA VAL 101 HA VAL 101 13.790 4.588 1.858 715 HB VAL 101 HB VAL 101 13.486 6.991 1.606 716 1HG1 VAL 101 1HG1 VAL 101 14.378 7.800 4.262 717 2HG1 VAL 101 2HG1 VAL 101 13.019 8.399 3.281 718 3HG1 VAL 101 3HG1 VAL 101 12.809 6.961 4.310 719 1HG2 VAL 101 1HG2 VAL 101 15.957 6.188 3.175 720 2HG2 VAL 101 2HG2 VAL 101 15.740 6.153 1.408 721 3HG2 VAL 101 3HG2 VAL 101 15.787 7.711 2.269 722 H VAL 102 H VAL 102 15.731 3.913 2.960 723 HA VAL 102 HA VAL 102 15.252 3.382 5.812 724 HB VAL 102 HB VAL 102 15.155 1.426 4.230 725 1HG1 VAL 102 1HG1 VAL 102 16.956 0.706 3.003 726 2HG1 VAL 102 2HG1 VAL 102 17.236 2.462 2.938 727 3HG1 VAL 102 3HG1 VAL 102 18.145 1.458 4.093 728 1HG2 VAL 102 1HG2 VAL 102 15.927 1.518 6.769 729 2HG2 VAL 102 2HG2 VAL 102 16.000 0.009 5.827 730 3HG2 VAL 102 3HG2 VAL 102 17.473 0.979 6.071 731 H LYS 103 H LYS 103 16.231 5.483 6.288 732 HA LYS 103 HA LYS 103 18.934 5.271 6.885 733 2HB LYS 103 2HB LYS 103 18.637 7.283 4.681 734 2HG LYS 103 2HG LYS 103 21.098 6.255 4.433 735 2HD LYS 103 2HD LYS 103 20.182 8.171 6.625 736 2HE LYS 103 2HE LYS 103 22.918 8.502 5.584 737 1HZ LYS 103 1HZ LYS 103 22.256 8.027 8.398 738 2HZ LYS 103 2HZ LYS 103 23.258 9.139 7.756 739 H SER 104 H SER 104 16.119 7.341 6.086 740 HA SER 104 HA SER 104 16.711 8.783 8.538 741 2HB SER 104 2HB SER 104 15.571 10.237 6.136 742 HG SER 104 HG SER 104 15.839 11.931 7.412 743 H ASP 105 H ASP 105 14.567 10.298 8.968 744 HA ASP 105 HA ASP 105 12.454 8.369 9.043 745 2HB ASP 105 2HB ASP 105 11.816 11.081 10.007 746 HD2 ASP 105 HD ASP 105 12.951 8.273 11.997 747 H PHE 106 H PHE 106 10.470 8.569 7.880 748 HA PHE 106 HA PHE 106 10.169 10.979 6.245 749 2HB PHE 106 2HB PHE 106 9.295 8.307 5.161 750 HD1 PHE 106 1HD PHE 106 8.127 9.290 3.369 751 HD2 PHE 106 2HD PHE 106 12.135 10.456 4.135 752 HE1 PHE 106 1HE PHE 106 8.181 10.537 1.192 753 HE2 PHE 106 2HE PHE 106 12.188 11.703 1.958 754 HZ PHE 106 HZ PHE 106 10.210 11.729 0.512 755 H GLU 107 H GLU 107 7.856 11.023 5.240 756 HA GLU 107 HA GLU 107 5.934 9.569 6.785 757 2HB GLU 107 2HB GLU 107 4.731 11.728 7.443 758 2HG GLU 107 2HG GLU 107 7.462 11.674 8.741 759 HE2 GLU 107 HE GLU 107 4.191 11.605 10.967 760 H ILE 108 H ILE 108 3.910 9.412 5.711 761 HA ILE 108 HA ILE 108 3.523 11.065 3.359 762 HB ILE 108 HB ILE 108 3.183 8.152 2.920 763 2HG1 ILE 108 2HG1 ILE 108 5.881 9.505 3.092 764 1HG2 ILE 108 1HG2 ILE 108 3.039 8.767 0.781 765 2HG2 ILE 108 2HG2 ILE 108 2.917 10.434 1.392 766 3HG2 ILE 108 3HG2 ILE 108 4.495 9.786 0.881 767 1HD1 ILE 108 1HD1 ILE 108 4.411 7.446 4.582 768 2HD1 ILE 108 2HD1 ILE 108 5.964 6.836 3.964 769 3HD1 ILE 108 3HD1 ILE 108 5.925 8.281 5.004 770 H GLY 109 H GLY 109 1.333 11.334 2.826 771 1HA GLY 109 1HA GLY 109 -0.680 9.686 4.068 772 2HA GLY 109 2HA GLY 109 -0.539 11.277 4.788 773 H VAL 110 H VAL 110 -2.935 10.852 3.682 774 HA VAL 110 HA VAL 110 -2.908 12.654 1.435 775 HB VAL 110 HB VAL 110 -2.953 9.877 0.986 776 1HG1 VAL 110 1HG1 VAL 110 -5.094 9.389 0.049 777 2HG1 VAL 110 2HG1 VAL 110 -5.380 10.034 1.683 778 3HG1 VAL 110 3HG1 VAL 110 -5.643 11.069 0.259 779 1HG2 VAL 110 1HG2 VAL 110 -3.752 12.131 -0.885 780 2HG2 VAL 110 2HG2 VAL 110 -2.080 11.652 -0.509 781 3HG2 VAL 110 3HG2 VAL 110 -3.163 10.517 -1.351 782 H THR 111 H THR 111 -5.235 13.278 0.860 783 HA THR 111 HA THR 111 -6.866 13.110 3.310 784 HB THR 111 HB THR 111 -7.699 15.384 2.538 785 HG1 THR 111 1HG THR 111 -7.058 15.865 0.478 786 1HG2 THR 111 1HG2 THR 111 -5.572 16.651 2.943 787 2HG2 THR 111 2HG2 THR 111 -5.788 15.352 4.141 788 3HG2 THR 111 3HG2 THR 111 -4.654 15.134 2.786 789 H ARG 112 H ARG 112 -6.679 12.602 -0.170 790 HA ARG 112 HA ARG 112 -9.262 11.363 0.021 791 2HB ARG 112 2HB ARG 112 -10.399 12.841 -1.296 792 2HG ARG 112 2HG ARG 112 -7.814 14.398 -0.888 793 2HD ARG 112 2HD ARG 112 -9.346 14.981 -3.024 794 HE ARG 112 HE ARG 112 -11.074 15.661 -0.791 795 1HH1 ARG 112 2HH2 ARG 112 -10.079 16.745 -4.015 796 2HH1 ARG 112 1HH2 ARG 112 -11.550 17.611 -4.313 797 2HH2 ARG 112 1HH ARG 112 -13.260 17.632 -2.635 798 H ASP 113 H ASP 113 -6.499 12.330 -2.131 799 HA ASP 113 HA ASP 113 -5.403 10.021 -2.615 800 2HB ASP 113 2HB ASP 113 -8.014 10.153 -4.104 801 HD2 ASP 113 HD ASP 113 -6.919 7.372 -5.435 802 H GLY 114 H GLY 114 -6.733 13.039 -3.799 803 1HA GLY 114 1HA GLY 114 -5.205 13.220 -6.219 804 2HA GLY 114 2HA GLY 114 -6.124 14.487 -5.432 805 H GLU 115 H GLU 115 -5.135 15.317 -3.253 806 HA GLU 115 HA GLU 115 -2.392 15.904 -3.855 807 2HB GLU 115 2HB GLU 115 -2.601 17.694 -2.277 808 2HG GLU 115 2HG GLU 115 -5.410 17.999 -2.868 809 HE2 GLU 115 HE GLU 115 -3.440 18.649 -5.521 810 H ILE 116 H ILE 116 -0.595 15.248 -2.651 811 HA ILE 116 HA ILE 116 -1.201 13.415 -0.436 812 HB ILE 116 HB ILE 116 0.834 12.216 -1.036 813 2HG1 ILE 116 2HG1 ILE 116 1.185 14.492 -2.875 814 1HG2 ILE 116 1HG2 ILE 116 -1.578 12.376 -2.652 815 2HG2 ILE 116 2HG2 ILE 116 -0.184 11.783 -3.587 816 3HG2 ILE 116 3HG2 ILE 116 -0.667 10.955 -2.087 817 1HD1 ILE 116 1HD1 ILE 116 2.672 13.608 -0.902 818 2HD1 ILE 116 2HD1 ILE 116 3.209 12.382 -2.076 819 3HD1 ILE 116 3HD1 ILE 116 3.469 14.111 -2.413 820 H ILE 117 H ILE 117 0.627 13.281 1.213 821 HA ILE 117 HA ILE 117 2.009 15.854 1.420 822 HB ILE 117 HB ILE 117 1.490 15.836 3.854 823 2HG1 ILE 117 2HG1 ILE 117 0.008 13.394 3.057 824 1HG2 ILE 117 1HG2 ILE 117 -1.090 15.995 2.325 825 2HG2 ILE 117 2HG2 ILE 117 -0.449 17.067 3.594 826 3HG2 ILE 117 3HG2 ILE 117 0.247 17.112 1.956 827 1HD1 ILE 117 1HD1 ILE 117 2.015 13.996 4.839 828 2HD1 ILE 117 2HD1 ILE 117 0.584 14.081 5.894 829 3HD1 ILE 117 3HD1 ILE 117 0.936 12.589 4.990 830 H VAL 118 H VAL 118 4.099 15.743 2.249 831 HA VAL 118 HA VAL 118 4.972 13.129 3.217 832 HB VAL 118 HB VAL 118 7.098 13.751 1.740 833 1HG1 VAL 118 1HG1 VAL 118 4.787 12.436 0.324 834 2HG1 VAL 118 2HG1 VAL 118 6.510 11.989 0.336 835 3HG1 VAL 118 3HG1 VAL 118 5.503 11.690 1.773 836 1HG2 VAL 118 1HG2 VAL 118 4.895 14.630 -0.124 837 2HG2 VAL 118 2HG2 VAL 118 5.768 15.809 0.886 838 3HG2 VAL 118 3HG2 VAL 118 6.658 14.816 -0.293 839 H ASP 119 H ASP 119 6.973 13.251 4.489 840 HA ASP 119 HA ASP 119 8.052 15.805 5.030 841 2HB ASP 119 2HB ASP 119 6.794 14.470 7.438 842 HD2 ASP 119 HD ASP 119 5.789 17.567 7.040 843 H LEU 120 H LEU 120 9.680 15.502 7.044 844 HA LEU 120 HA LEU 120 10.754 12.777 6.845 845 2HB LEU 120 2HB LEU 120 11.932 15.167 6.151 846 HG LEU 120 HG LEU 120 12.274 15.340 8.806 847 1HD1 LEU 120 1HD1 LEU 120 14.926 14.225 8.405 848 2HD1 LEU 120 2HD1 LEU 120 13.763 13.973 9.730 849 3HD1 LEU 120 3HD1 LEU 120 13.657 12.987 8.252 850 1HD2 LEU 120 1HD2 LEU 120 13.563 16.368 6.463 851 2HD2 LEU 120 2HD2 LEU 120 13.344 17.130 8.057 852 3HD2 LEU 120 3HD2 LEU 120 14.779 16.126 7.739 853 H ASN 121 H ASN 121 8.696 14.294 8.723 854 HA ASN 121 HA ASN 121 8.107 14.161 10.804 855 2HB ASN 121 2HB ASN 121 10.256 12.003 10.802 856 1HD2 ASN 121 1HD2 ASN 121 11.388 12.624 12.636 857 2HD2 ASN 121 2HD2 ASN 121 10.738 12.494 14.237 858 H SER 122 H SER 122 8.607 15.269 12.809 859 HA SER 122 HA SER 122 10.821 16.962 12.677 860 2HB SER 122 2HB SER 122 9.991 17.143 15.298 861 HG SER 122 HG SER 122 9.322 18.373 12.877 Start of MODEL 16 1 H MET 1 H MET 1 12.019 -3.166 -19.089 2 HA MET 1 HA MET 1 10.353 -1.018 -19.296 3 2HB MET 1 2HB MET 1 8.504 -2.792 -17.952 4 2HG MET 1 2HG MET 1 8.447 -0.688 -19.852 5 1HE MET 1 1HE MET 1 8.700 -0.439 -22.006 6 2HE MET 1 2HE MET 1 7.951 -1.317 -23.362 7 3HE MET 1 3HE MET 1 6.952 -0.286 -22.308 8 H ARG 2 H ARG 2 9.963 -3.814 -17.017 9 HA ARG 2 HA ARG 2 11.836 -3.213 -15.216 10 2HB ARG 2 2HB ARG 2 9.773 -2.004 -13.643 11 2HG ARG 2 2HG ARG 2 12.436 -1.199 -14.799 12 2HD ARG 2 2HD ARG 2 10.601 0.768 -14.824 13 HE ARG 2 HE ARG 2 10.651 0.176 -12.070 14 1HH1 ARG 2 2HH2 ARG 2 11.253 3.015 -14.103 15 2HH1 ARG 2 1HH2 ARG 2 10.776 4.145 -12.881 16 2HH2 ARG 2 1HH ARG 2 10.056 3.330 -10.745 17 H GLU 3 H GLU 3 11.545 -4.461 -13.201 18 HA GLU 3 HA GLU 3 9.095 -6.042 -13.239 19 2HB GLU 3 2HB GLU 3 10.972 -7.392 -14.105 20 2HG GLU 3 2HG GLU 3 12.355 -7.445 -11.458 21 HE2 GLU 3 HE GLU 3 15.060 -7.167 -12.777 22 H ARG 4 H ARG 4 8.013 -6.171 -11.292 23 HA ARG 4 HA ARG 4 8.996 -6.379 -8.854 24 2HB ARG 4 2HB ARG 4 8.469 -3.593 -8.450 25 2HG ARG 4 2HG ARG 4 11.277 -4.698 -8.582 26 2HD ARG 4 2HD ARG 4 10.273 -3.513 -6.077 27 HE ARG 4 HE ARG 4 12.575 -3.157 -6.217 28 1HH1 ARG 4 2HH2 ARG 4 11.128 -2.323 -9.342 29 2HH1 ARG 4 1HH2 ARG 4 12.610 -1.725 -10.009 30 2HH2 ARG 4 1HH ARG 4 14.598 -1.760 -8.671 31 H GLY 5 H GLY 5 7.327 -5.917 -7.126 32 1HA GLY 5 1HA GLY 5 5.094 -4.751 -6.890 33 2HA GLY 5 2HA GLY 5 4.653 -5.620 -8.346 34 H TRP 6 H TRP 6 5.665 -5.992 -4.919 35 HA TRP 6 HA TRP 6 5.557 -7.738 -3.527 36 2HB TRP 6 2HB TRP 6 3.436 -7.354 -2.975 37 HD1 TRP 6 HD TRP 6 2.587 -5.072 -4.178 38 HE1 TRP 6 1HE TRP 6 0.920 -4.508 -6.145 39 HE3 TRP 6 3HE TRP 6 2.372 -9.795 -6.050 40 HZ2 TRP 6 2HZ TRP 6 -0.274 -6.066 -8.216 41 HZ3 TRP 6 3HZ TRP 6 0.932 -10.188 -8.047 42 HH2 TRP 6 HH TRP 6 -0.362 -8.417 -9.125 43 H SER 7 H SER 7 7.204 -8.502 -5.508 44 HA SER 7 HA SER 7 6.145 -10.896 -6.705 45 2HB SER 7 2HB SER 7 8.935 -10.644 -7.244 46 HG SER 7 HG SER 7 6.588 -9.871 -8.756 47 H GLN 8 H GLN 8 9.023 -9.927 -4.689 48 HA GLN 8 HA GLN 8 8.649 -12.242 -3.078 49 2HB GLN 8 2HB GLN 8 11.415 -12.176 -4.190 50 2HG GLN 8 2HG GLN 8 10.809 -14.715 -4.282 51 1HE2 GLN 8 1HE2 GLN 8 9.846 -15.311 -1.545 52 2HE2 GLN 8 2HE2 GLN 8 11.115 -14.844 -0.462 53 H LYS 9 H LYS 9 8.304 -10.027 -1.899 54 HA LYS 9 HA LYS 9 10.769 -8.688 -1.223 55 2HB LYS 9 2HB LYS 9 8.659 -7.765 0.406 56 2HG LYS 9 2HG LYS 9 10.565 -6.585 -0.981 57 2HD LYS 9 2HD LYS 9 8.930 -5.519 -2.982 58 2HE LYS 9 2HE LYS 9 10.971 -7.784 -3.206 59 1HZ LYS 9 1HZ LYS 9 10.548 -5.780 -5.292 60 2HZ LYS 9 2HZ LYS 9 11.002 -7.336 -5.443 61 H LYS 10 H LYS 10 8.149 -9.679 1.043 62 HA LYS 10 HA LYS 10 9.905 -11.538 2.360 63 2HB LYS 10 2HB LYS 10 8.966 -9.291 4.104 64 2HG LYS 10 2HG LYS 10 11.534 -10.070 4.805 65 2HD LYS 10 2HD LYS 10 8.800 -11.092 5.666 66 2HE LYS 10 2HE LYS 10 11.474 -11.608 7.054 67 1HZ LYS 10 1HZ LYS 10 8.791 -12.698 7.686 68 2HZ LYS 10 2HZ LYS 10 10.136 -12.800 8.599 69 H ILE 11 H ILE 11 7.147 -9.504 3.529 70 HA ILE 11 HA ILE 11 5.745 -11.883 4.281 71 HB ILE 11 HB ILE 11 4.767 -9.031 4.312 72 2HG1 ILE 11 2HG1 ILE 11 6.934 -9.095 5.415 73 1HG2 ILE 11 1HG2 ILE 11 3.552 -10.009 6.378 74 2HG2 ILE 11 2HG2 ILE 11 2.937 -10.391 4.752 75 3HG2 ILE 11 3HG2 ILE 11 3.909 -11.590 5.641 76 1HD1 ILE 11 1HD1 ILE 11 6.266 -8.050 7.392 77 2HD1 ILE 11 2HD1 ILE 11 4.743 -7.999 6.474 78 3HD1 ILE 11 3HD1 ILE 11 4.991 -9.249 7.716 79 H ALA 12 H ALA 12 6.329 -10.560 1.322 80 HA ALA 12 HA ALA 12 4.044 -10.089 0.011 81 1HB ALA 12 1HB ALA 12 6.448 -10.272 -0.854 82 2HB ALA 12 2HB ALA 12 6.142 -12.015 -1.042 83 3HB ALA 12 3HB ALA 12 5.170 -10.837 -1.956 84 H ARG 13 H ARG 13 5.135 -13.211 1.357 85 HA ARG 13 HA ARG 13 3.382 -14.825 -0.008 86 2HB ARG 13 2HB ARG 13 3.606 -16.243 2.237 87 2HG ARG 13 2HG ARG 13 5.505 -15.627 0.059 88 2HD ARG 13 2HD ARG 13 6.511 -16.508 2.791 89 HE ARG 13 HE ARG 13 8.408 -16.973 0.682 90 1HH1 ARG 13 2HH2 ARG 13 5.538 -18.447 2.149 91 2HH1 ARG 13 1HH2 ARG 13 5.986 -20.060 1.705 92 2HH2 ARG 13 1HH ARG 13 8.025 -20.421 0.498 93 H GLU 14 H GLU 14 3.078 -13.366 3.318 94 HA GLU 14 HA GLU 14 0.506 -14.275 3.747 95 2HB GLU 14 2HB GLU 14 1.214 -11.665 4.988 96 2HG GLU 14 2HG GLU 14 0.585 -14.460 6.051 97 HE2 GLU 14 HE GLU 14 0.616 -14.590 8.170 98 H LEU 15 H LEU 15 1.758 -11.633 1.796 99 HA LEU 15 HA LEU 15 -0.657 -10.123 1.772 100 2HB LEU 15 2HB LEU 15 0.553 -9.121 -0.295 101 HG LEU 15 HG LEU 15 0.530 -8.123 2.061 102 1HD1 LEU 15 1HD1 LEU 15 3.355 -9.193 2.185 103 2HD1 LEU 15 2HD1 LEU 15 2.462 -8.285 3.429 104 3HD1 LEU 15 3HD1 LEU 15 1.978 -9.949 3.023 105 1HD2 LEU 15 1HD2 LEU 15 2.535 -6.631 1.511 106 2HD2 LEU 15 2HD2 LEU 15 2.732 -7.639 0.058 107 3HD2 LEU 15 3HD2 LEU 15 1.225 -6.727 0.311 108 H LYS 16 H LYS 16 0.949 -12.454 -0.494 109 HA LYS 16 HA LYS 16 -0.995 -12.350 -2.462 110 2HB LYS 16 2HB LYS 16 1.144 -14.269 -1.651 111 2HG LYS 16 2HG LYS 16 -1.281 -14.926 -3.298 112 2HD LYS 16 2HD LYS 16 1.551 -15.277 -4.205 113 2HE LYS 16 2HE LYS 16 -0.551 -17.464 -4.579 114 1HZ LYS 16 1HZ LYS 16 1.805 -18.433 -5.369 115 2HZ LYS 16 2HZ LYS 16 0.773 -17.715 -6.404 116 H THR 17 H THR 17 -0.868 -14.087 0.654 117 HA THR 17 HA THR 17 -3.062 -15.793 0.106 118 HB THR 17 HB THR 17 -1.591 -14.831 2.600 119 HG1 THR 17 1HG THR 17 -0.985 -17.154 2.397 120 1HG2 THR 17 1HG2 THR 17 -3.054 -15.927 3.987 121 2HG2 THR 17 2HG2 THR 17 -4.225 -15.817 2.650 122 3HG2 THR 17 3HG2 THR 17 -3.228 -17.279 2.842 123 H THR 18 H THR 18 -2.753 -12.450 1.294 124 HA THR 18 HA THR 18 -5.569 -12.367 1.979 125 HB THR 18 HB THR 18 -3.332 -11.145 2.989 126 HG1 THR 18 1HG THR 18 -5.171 -10.756 4.171 127 1HG2 THR 18 1HG2 THR 18 -2.973 -9.652 1.048 128 2HG2 THR 18 2HG2 THR 18 -4.687 -9.173 1.074 129 3HG2 THR 18 3HG2 THR 18 -3.610 -8.698 2.409 130 H ARG 19 H ARG 19 -7.098 -10.889 1.019 131 HA ARG 19 HA ARG 19 -6.501 -9.499 -1.293 132 2HB ARG 19 2HB ARG 19 -6.358 -11.333 -2.711 133 2HG ARG 19 2HG ARG 19 -7.956 -12.704 -0.554 134 2HD ARG 19 2HD ARG 19 -7.731 -14.650 -2.520 135 HE ARG 19 HE ARG 19 -9.843 -13.450 -1.108 136 1HH1 ARG 19 2HH2 ARG 19 -9.397 -14.835 -4.338 137 2HH1 ARG 19 1HH2 ARG 19 -11.052 -15.321 -4.493 138 2HH2 ARG 19 1HH ARG 19 -12.580 -14.873 -2.703 139 H GLN 20 H GLN 20 -8.925 -11.451 0.529 140 HA GLN 20 HA GLN 20 -11.091 -11.160 0.831 141 2HB GLN 20 2HB GLN 20 -10.252 -8.306 1.487 142 2HG GLN 20 2HG GLN 20 -12.711 -9.660 1.768 143 1HE2 GLN 20 1HE2 GLN 20 -13.854 -10.582 3.356 144 2HE2 GLN 20 2HE2 GLN 20 -13.227 -11.075 4.893 145 H ASN 21 H ASN 21 -10.298 -10.692 -1.969 146 HA ASN 21 HA ASN 21 -10.990 -9.793 -3.829 147 2HB ASN 21 2HB ASN 21 -13.746 -9.168 -3.250 148 1HD2 ASN 21 1HD2 ASN 21 -14.374 -12.121 -3.356 149 2HD2 ASN 21 2HD2 ASN 21 -14.065 -12.605 -4.991 150 H VAL 22 H VAL 22 -10.105 -7.901 -1.601 151 HA VAL 22 HA VAL 22 -11.681 -5.533 -2.307 152 HB VAL 22 HB VAL 22 -9.870 -6.195 0.016 153 1HG1 VAL 22 1HG1 VAL 22 -11.271 -3.663 0.265 154 2HG1 VAL 22 2HG1 VAL 22 -9.543 -4.033 0.474 155 3HG1 VAL 22 3HG1 VAL 22 -10.182 -3.660 -1.144 156 1HG2 VAL 22 1HG2 VAL 22 -11.741 -6.712 1.117 157 2HG2 VAL 22 2HG2 VAL 22 -12.490 -5.159 0.673 158 3HG2 VAL 22 3HG2 VAL 22 -12.631 -6.560 -0.417 159 H SER 23 H SER 23 -8.453 -5.201 -0.982 160 HA SER 23 HA SER 23 -7.685 -3.804 -3.336 161 2HB SER 23 2HB SER 23 -5.451 -3.655 -1.937 162 HG SER 23 HG SER 23 -6.264 -1.788 -1.272 163 H ALA 24 H ALA 24 -8.113 -6.896 -3.201 164 HA ALA 24 HA ALA 24 -5.574 -8.077 -3.527 165 1HB ALA 24 1HB ALA 24 -7.827 -9.163 -2.943 166 2HB ALA 24 2HB ALA 24 -8.203 -9.063 -4.680 167 3HB ALA 24 3HB ALA 24 -6.811 -10.023 -4.125 168 H ILE 25 H ILE 25 -4.932 -6.020 -4.935 169 HA ILE 25 HA ILE 25 -5.833 -5.984 -7.608 170 HB ILE 25 HB ILE 25 -3.468 -4.796 -6.174 171 2HG1 ILE 25 2HG1 ILE 25 -5.728 -3.930 -5.633 172 1HG2 ILE 25 1HG2 ILE 25 -2.813 -5.235 -8.498 173 2HG2 ILE 25 2HG2 ILE 25 -4.253 -4.358 -9.068 174 3HG2 ILE 25 3HG2 ILE 25 -2.980 -3.493 -8.171 175 1HD1 ILE 25 1HD1 ILE 25 -5.211 -1.565 -6.018 176 2HD1 ILE 25 2HD1 ILE 25 -3.708 -2.431 -5.619 177 3HD1 ILE 25 3HD1 ILE 25 -4.063 -1.996 -7.308 178 H GLU 26 H GLU 26 -3.649 -8.028 -5.825 179 HA GLU 26 HA GLU 26 -1.938 -8.693 -7.920 180 2HB GLU 26 2HB GLU 26 -1.339 -10.640 -6.510 181 2HG GLU 26 2HG GLU 26 -1.917 -8.148 -4.839 182 HE2 GLU 26 HE GLU 26 -1.281 -8.461 -2.853 183 H ARG 27 H ARG 27 -4.792 -10.487 -6.537 184 HA ARG 27 HA ARG 27 -4.765 -12.399 -8.547 185 2HB ARG 27 2HB ARG 27 -7.057 -12.970 -7.690 186 2HG ARG 27 2HG ARG 27 -6.385 -13.017 -5.160 187 2HD ARG 27 2HD ARG 27 -4.105 -14.301 -6.453 188 HE ARG 27 HE ARG 27 -5.027 -15.611 -4.727 189 1HH1 ARG 27 2HH2 ARG 27 -7.539 -14.854 -7.107 190 2HH1 ARG 27 1HH2 ARG 27 -8.689 -15.958 -6.428 191 2HH2 ARG 27 1HH ARG 27 -8.082 -17.248 -4.503 192 H LYS 28 H LYS 28 -6.710 -9.379 -8.047 193 HA LYS 28 HA LYS 28 -8.372 -9.634 -10.239 194 2HB LYS 28 2HB LYS 28 -8.409 -7.060 -10.070 195 2HG LYS 28 2HG LYS 28 -8.963 -8.002 -7.335 196 2HD LYS 28 2HD LYS 28 -10.569 -6.994 -9.712 197 2HE LYS 28 2HE LYS 28 -12.113 -7.017 -7.272 198 1HZ LYS 28 1HZ LYS 28 -13.681 -8.059 -8.705 199 2HZ LYS 28 2HZ LYS 28 -12.859 -7.041 -9.674 200 H ALA 29 H ALA 29 -5.171 -7.935 -9.981 201 HA ALA 29 HA ALA 29 -4.981 -7.064 -12.561 202 1HB ALA 29 1HB ALA 29 -2.884 -8.099 -10.620 203 2HB ALA 29 2HB ALA 29 -2.481 -7.295 -12.155 204 3HB ALA 29 3HB ALA 29 -3.378 -6.412 -10.897 205 H MET 30 H MET 30 -3.597 -10.181 -11.280 206 HA MET 30 HA MET 30 -2.941 -11.147 -13.778 207 2HB MET 30 2HB MET 30 -3.759 -13.183 -11.758 208 2HG MET 30 2HG MET 30 -0.953 -13.093 -11.991 209 1HE MET 30 1HE MET 30 -0.534 -14.171 -14.638 210 2HE MET 30 2HE MET 30 -0.334 -15.857 -14.105 211 3HE MET 30 3HE MET 30 -1.599 -15.442 -15.286 212 H GLU 31 H GLU 31 -6.039 -10.676 -12.365 213 HA GLU 31 HA GLU 31 -7.260 -12.891 -13.696 214 2HB GLU 31 2HB GLU 31 -9.251 -11.042 -12.862 215 2HG GLU 31 2HG GLU 31 -8.451 -13.039 -10.846 216 HE2 GLU 31 HE GLU 31 -10.556 -13.380 -13.559 217 H ASN 32 H ASN 32 -5.852 -11.477 -15.602 218 HA ASN 32 HA ASN 32 -5.979 -10.366 -17.468 219 2HB ASN 32 2HB ASN 32 -8.431 -10.556 -18.585 220 1HD2 ASN 32 1HD2 ASN 32 -7.780 -13.644 -17.243 221 2HD2 ASN 32 2HD2 ASN 32 -6.815 -14.302 -18.521 222 H ILE 33 H ILE 33 -6.522 -8.808 -15.027 223 HA ILE 33 HA ILE 33 -8.746 -7.190 -15.156 224 HB ILE 33 HB ILE 33 -6.500 -7.444 -13.578 225 2HG1 ILE 33 2HG1 ILE 33 -8.746 -7.030 -12.772 226 1HG2 ILE 33 1HG2 ILE 33 -6.547 -4.589 -14.577 227 2HG2 ILE 33 2HG2 ILE 33 -5.441 -5.319 -13.390 228 3HG2 ILE 33 3HG2 ILE 33 -5.357 -5.804 -15.099 229 1HD1 ILE 33 1HD1 ILE 33 -8.261 -5.216 -11.104 230 2HD1 ILE 33 2HD1 ILE 33 -6.938 -6.399 -11.234 231 3HD1 ILE 33 3HD1 ILE 33 -6.791 -4.808 -12.020 232 H GLU 34 H GLU 34 -8.636 -4.712 -15.634 233 HA GLU 34 HA GLU 34 -7.189 -4.364 -18.140 234 2HB GLU 34 2HB GLU 34 -9.729 -2.871 -17.962 235 2HG GLU 34 2HG GLU 34 -8.746 -4.908 -20.009 236 HE2 GLU 34 HE GLU 34 -12.138 -3.900 -20.284 237 H LYS 35 H LYS 35 -9.239 -2.475 -15.792 238 HA LYS 35 HA LYS 35 -6.981 -0.637 -15.502 239 2HB LYS 35 2HB LYS 35 -9.475 0.812 -15.450 240 2HG LYS 35 2HG LYS 35 -7.082 0.905 -17.348 241 2HD LYS 35 2HD LYS 35 -9.176 2.178 -18.049 242 2HE LYS 35 2HE LYS 35 -8.923 3.096 -15.258 243 1HZ LYS 35 1HZ LYS 35 -9.577 5.228 -17.176 244 2HZ LYS 35 2HZ LYS 35 -9.108 5.366 -15.623 245 H SER 36 H SER 36 -7.815 -2.872 -13.849 246 HA SER 36 HA SER 36 -8.067 -3.306 -11.737 247 2HB SER 36 2HB SER 36 -8.104 -0.292 -11.267 248 HG SER 36 HG SER 36 -8.112 -2.541 -9.560 249 H ARG 37 H ARG 37 -10.342 -2.207 -13.711 250 HA ARG 37 HA ARG 37 -12.479 -1.759 -13.658 251 2HB ARG 37 2HB ARG 37 -13.508 -3.441 -11.637 252 2HG ARG 37 2HG ARG 37 -13.666 -3.282 -14.361 253 2HD ARG 37 2HD ARG 37 -11.854 -5.621 -13.668 254 HE ARG 37 HE ARG 37 -14.114 -5.735 -15.485 255 1HH1 ARG 37 2HH2 ARG 37 -10.742 -6.761 -15.126 256 2HH1 ARG 37 1HH2 ARG 37 -10.912 -8.119 -16.187 257 2HH2 ARG 37 1HH ARG 37 -13.036 -8.551 -17.209 258 H ASN 38 H ASN 38 -10.845 -0.079 -11.795 259 HA ASN 38 HA ASN 38 -11.077 1.390 -10.217 260 2HB ASN 38 2HB ASN 38 -13.624 2.046 -9.702 261 1HD2 ASN 38 1HD2 ASN 38 -14.791 3.170 -11.789 262 2HD2 ASN 38 2HD2 ASN 38 -13.719 4.188 -12.693 263 H THR 39 H THR 39 -10.706 -1.256 -9.279 264 HA THR 39 HA THR 39 -12.677 -1.840 -7.255 265 HB THR 39 HB THR 39 -9.946 -3.061 -7.928 266 HG1 THR 39 1HG THR 39 -12.761 -3.556 -8.590 267 1HG2 THR 39 1HG2 THR 39 -11.382 -3.533 -5.629 268 2HG2 THR 39 2HG2 THR 39 -12.194 -4.653 -6.750 269 3HG2 THR 39 3HG2 THR 39 -10.441 -4.792 -6.467 270 H LEU 40 H LEU 40 -9.117 -1.739 -6.764 271 HA LEU 40 HA LEU 40 -9.236 -1.041 -4.139 272 2HB LEU 40 2HB LEU 40 -7.286 -1.620 -5.886 273 HG LEU 40 HG LEU 40 -7.297 1.303 -5.785 274 1HD1 LEU 40 1HD1 LEU 40 -4.675 1.234 -5.561 275 2HD1 LEU 40 2HD1 LEU 40 -5.718 1.387 -4.126 276 3HD1 LEU 40 3HD1 LEU 40 -5.016 -0.193 -4.553 277 1HD2 LEU 40 1HD2 LEU 40 -5.202 0.057 -7.357 278 2HD2 LEU 40 2HD2 LEU 40 -6.776 -0.730 -7.626 279 3HD2 LEU 40 3HD2 LEU 40 -6.603 1.023 -7.877 280 H ASP 41 H ASP 41 -9.914 0.937 -6.956 281 HA ASP 41 HA ASP 41 -9.463 3.396 -5.653 282 2HB ASP 41 2HB ASP 41 -11.313 2.894 -8.021 283 HD2 ASP 41 HD ASP 41 -11.341 6.316 -7.166 284 H PHE 42 H PHE 42 -12.403 1.489 -6.663 285 HA PHE 42 HA PHE 42 -14.364 3.107 -5.723 286 2HB PHE 42 2HB PHE 42 -13.902 0.089 -5.846 287 HD1 PHE 42 1HD PHE 42 -16.906 2.309 -5.647 288 HD2 PHE 42 2HD PHE 42 -15.012 -1.260 -4.349 289 HE1 PHE 42 1HE PHE 42 -18.950 1.704 -4.323 290 HE2 PHE 42 2HE PHE 42 -17.056 -1.864 -3.025 291 HZ PHE 42 HZ PHE 42 -19.002 -0.375 -3.027 292 H VAL 43 H VAL 43 -12.266 0.859 -3.859 293 HA VAL 43 HA VAL 43 -13.762 1.286 -1.446 294 HB VAL 43 HB VAL 43 -11.884 -0.570 -2.458 295 1HG1 VAL 43 1HG1 VAL 43 -10.138 0.865 -1.415 296 2HG1 VAL 43 2HG1 VAL 43 -10.938 0.644 0.159 297 3HG1 VAL 43 3HG1 VAL 43 -10.240 -0.756 -0.689 298 1HG2 VAL 43 1HG2 VAL 43 -13.526 -0.297 0.057 299 2HG2 VAL 43 2HG2 VAL 43 -13.753 -1.393 -1.327 300 3HG2 VAL 43 3HG2 VAL 43 -12.428 -1.680 -0.173 301 H LYS 44 H LYS 44 -10.752 2.483 -2.997 302 HA LYS 44 HA LYS 44 -9.672 3.808 -0.835 303 2HB LYS 44 2HB LYS 44 -9.129 5.382 -3.095 304 2HG LYS 44 2HG LYS 44 -7.083 3.699 -3.148 305 2HD LYS 44 2HD LYS 44 -7.900 5.615 -0.957 306 2HE LYS 44 2HE LYS 44 -5.115 4.970 -0.680 307 1HZ LYS 44 1HZ LYS 44 -7.019 5.727 0.955 308 2HZ LYS 44 2HZ LYS 44 -7.122 4.136 1.287 309 H SER 45 H SER 45 -12.545 4.505 -2.746 310 HA SER 45 HA SER 45 -12.636 7.232 -1.964 311 2HB SER 45 2HB SER 45 -14.896 5.505 -3.061 312 HG SER 45 HG SER 45 -15.593 7.596 -2.404 313 H LEU 46 H LEU 46 -13.059 4.342 -0.297 314 HA LEU 46 HA LEU 46 -15.382 4.489 1.082 315 2HB LEU 46 2HB LEU 46 -13.757 3.660 3.035 316 HG LEU 46 HG LEU 46 -14.221 2.049 0.510 317 1HD1 LEU 46 1HD1 LEU 46 -13.499 1.150 3.312 318 2HD1 LEU 46 2HD1 LEU 46 -13.938 0.080 1.958 319 3HD1 LEU 46 3HD1 LEU 46 -12.461 1.070 1.868 320 1HD2 LEU 46 1HD2 LEU 46 -15.951 1.242 2.597 321 2HD2 LEU 46 2HD2 LEU 46 -16.056 3.016 2.492 322 3HD2 LEU 46 3HD2 LEU 46 -16.370 2.019 1.051 323 H LYS 47 H LYS 47 -12.437 6.494 1.503 324 HA LYS 47 HA LYS 47 -14.060 8.281 3.148 325 2HB LYS 47 2HB LYS 47 -12.056 8.620 4.639 326 2HG LYS 47 2HG LYS 47 -12.994 5.733 4.734 327 2HD LYS 47 2HD LYS 47 -11.563 7.348 6.509 328 2HE LYS 47 2HE LYS 47 -14.511 7.260 7.305 329 1HZ LYS 47 1HZ LYS 47 -13.847 7.723 9.445 330 2HZ LYS 47 2HZ LYS 47 -12.593 6.769 9.033 331 H SER 48 H SER 48 -10.557 8.585 2.672 332 HA SER 48 HA SER 48 -10.207 9.657 0.326 333 2HB SER 48 2HB SER 48 -10.630 12.275 1.308 334 HG SER 48 HG SER 48 -11.729 12.452 -0.550 335 HA PRO 49 HA PRO 49 -7.382 11.824 3.466 336 2HB PRO 49 2HB PRO 49 -8.400 13.239 4.969 337 2HG PRO 49 2HG PRO 49 -10.633 12.800 5.345 338 2HD PRO 49 2HD PRO 49 -11.170 11.715 3.391 339 H VAL 50 H VAL 50 -5.515 10.781 3.754 340 HA VAL 50 HA VAL 50 -5.563 8.552 5.594 341 HB VAL 50 HB VAL 50 -4.742 8.177 2.708 342 1HG1 VAL 50 1HG1 VAL 50 -4.215 6.695 5.141 343 2HG1 VAL 50 2HG1 VAL 50 -5.137 5.703 3.986 344 3HG1 VAL 50 3HG1 VAL 50 -3.590 6.435 3.495 345 1HG2 VAL 50 1HG2 VAL 50 -7.116 8.318 2.690 346 2HG2 VAL 50 2HG2 VAL 50 -6.719 6.581 2.667 347 3HG2 VAL 50 3HG2 VAL 50 -7.258 7.351 4.179 348 H ARG 51 H ARG 51 -3.592 8.313 6.623 349 HA ARG 51 HA ARG 51 -1.314 9.568 5.402 350 2HB ARG 51 2HB ARG 51 -2.513 10.427 8.069 351 2HG ARG 51 2HG ARG 51 0.295 11.040 7.033 352 2HD ARG 51 2HD ARG 51 -0.159 11.629 9.828 353 HE ARG 51 HE ARG 51 1.131 12.833 7.637 354 1HH1 ARG 51 2HH2 ARG 51 -0.858 13.926 10.358 355 2HH1 ARG 51 1HH2 ARG 51 -0.120 15.491 10.430 356 2HH2 ARG 51 1HH ARG 51 1.620 16.040 8.875 357 H ILE 52 H ILE 52 0.691 8.647 6.143 358 HA ILE 52 HA ILE 52 0.613 6.840 8.391 359 HB ILE 52 HB ILE 52 1.767 5.156 6.623 360 2HG1 ILE 52 2HG1 ILE 52 1.275 6.453 4.656 361 1HG2 ILE 52 1HG2 ILE 52 0.107 3.743 7.223 362 2HG2 ILE 52 2HG2 ILE 52 -0.273 5.052 8.367 363 3HG2 ILE 52 3HG2 ILE 52 -1.182 4.910 6.844 364 1HD1 ILE 52 1HD1 ILE 52 0.442 4.717 3.387 365 2HD1 ILE 52 2HD1 ILE 52 0.667 3.817 4.907 366 3HD1 ILE 52 3HD1 ILE 52 -0.940 4.447 4.475 367 H LEU 53 H LEU 53 2.719 6.392 9.217 368 HA LEU 53 HA LEU 53 4.701 8.270 8.189 369 2HB LEU 53 2HB LEU 53 4.381 6.828 10.818 370 HG LEU 53 HG LEU 53 6.719 8.368 9.766 371 1HD1 LEU 53 1HD1 LEU 53 6.029 9.932 11.392 372 2HD1 LEU 53 2HD1 LEU 53 5.589 8.656 12.553 373 3HD1 LEU 53 3HD1 LEU 53 7.300 8.956 12.166 374 1HD2 LEU 53 1HD2 LEU 53 7.836 6.544 10.360 375 2HD2 LEU 53 2HD2 LEU 53 7.190 6.616 12.018 376 3HD2 LEU 53 3HD2 LEU 53 6.274 5.779 10.742 377 H CYS 54 H CYS 54 6.855 7.618 7.685 378 HA CYS 54 HA CYS 54 7.035 4.743 7.149 379 2HB CYS 54 2HB CYS 54 8.622 6.826 5.651 380 HG CYS 54 HG CYS 54 7.736 4.749 3.709 381 H ARG 55 H ARG 55 8.599 3.685 8.327 382 HA ARG 55 HA ARG 55 10.595 5.391 9.580 383 2HB ARG 55 2HB ARG 55 10.781 3.162 11.079 384 2HG ARG 55 2HG ARG 55 8.290 4.400 11.898 385 2HD ARG 55 2HD ARG 55 10.347 5.594 13.351 386 HE ARG 55 HE ARG 55 8.402 3.658 13.857 387 1HH1 ARG 55 2HH2 ARG 55 11.773 4.127 14.843 388 2HH1 ARG 55 1HH2 ARG 55 11.574 3.309 16.357 389 2HH2 ARG 55 1HH ARG 55 9.429 2.406 16.929 390 H ARG 56 H ARG 56 12.497 3.501 10.359 391 HA ARG 56 HA ARG 56 13.991 3.188 8.138 392 2HB ARG 56 2HB ARG 56 14.852 2.979 10.463 393 2HG ARG 56 2HG ARG 56 13.684 0.162 10.439 394 2HD ARG 56 2HD ARG 56 15.607 1.577 12.098 395 HE ARG 56 HE ARG 56 12.961 1.263 13.317 396 1HH1 ARG 56 2HH2 ARG 56 16.447 1.293 13.950 397 2HH1 ARG 56 1HH2 ARG 56 16.264 1.692 15.626 398 2HH2 ARG 56 1HH ARG 56 14.065 1.980 16.532 399 H GLY 57 H GLY 57 14.021 1.757 6.410 400 1HA GLY 57 1HA GLY 57 11.964 0.067 5.797 401 2HA GLY 57 2HA GLY 57 13.589 -0.061 5.153 402 H ASP 58 H ASP 58 14.792 -0.532 7.894 403 HA ASP 58 HA ASP 58 14.758 -3.280 7.813 404 2HB ASP 58 2HB ASP 58 15.576 -1.240 9.905 405 HD2 ASP 58 HD ASP 58 14.618 -2.349 11.668 406 H THR 59 H THR 59 12.592 -0.922 9.267 407 HA THR 59 HA THR 59 11.282 -3.053 10.824 408 HB THR 59 HB THR 59 12.293 -0.573 11.658 409 HG1 THR 59 1HG THR 59 11.135 -1.291 13.556 410 1HG2 THR 59 1HG2 THR 59 9.247 -0.422 11.693 411 2HG2 THR 59 2HG2 THR 59 10.414 0.831 12.177 412 3HG2 THR 59 3HG2 THR 59 10.200 0.431 10.456 413 H LEU 60 H LEU 60 11.156 -1.840 7.843 414 HA LEU 60 HA LEU 60 8.667 -0.745 7.486 415 2HB LEU 60 2HB LEU 60 9.782 -2.718 5.531 416 HG LEU 60 HG LEU 60 7.824 -1.354 4.858 417 1HD1 LEU 60 1HD1 LEU 60 7.662 0.753 5.532 418 2HD1 LEU 60 2HD1 LEU 60 9.354 0.763 6.082 419 3HD1 LEU 60 3HD1 LEU 60 8.964 1.173 4.394 420 1HD2 LEU 60 1HD2 LEU 60 9.239 -0.174 2.878 421 2HD2 LEU 60 2HD2 LEU 60 10.449 -1.325 3.492 422 3HD2 LEU 60 3HD2 LEU 60 8.862 -1.912 2.938 423 H ASP 61 H ASP 61 9.629 -4.190 7.871 424 HA ASP 61 HA ASP 61 7.246 -5.324 7.184 425 2HB ASP 61 2HB ASP 61 9.350 -6.565 7.690 426 HD2 ASP 61 HD ASP 61 7.863 -6.851 10.767 427 H GLU 62 H GLU 62 8.459 -4.131 10.398 428 HA GLU 62 HA GLU 62 6.050 -4.791 11.714 429 2HB GLU 62 2HB GLU 62 8.597 -3.355 12.422 430 2HG GLU 62 2HG GLU 62 5.927 -2.906 13.693 431 HE2 GLU 62 HE GLU 62 7.719 -2.827 16.985 432 H ILE 63 H ILE 63 7.455 -1.852 10.205 433 HA ILE 63 HA ILE 63 5.615 -0.017 11.207 434 HB ILE 63 HB ILE 63 7.836 -0.016 9.536 435 2HG1 ILE 63 2HG1 ILE 63 7.436 2.524 9.639 436 1HG2 ILE 63 1HG2 ILE 63 7.231 1.183 7.553 437 2HG2 ILE 63 2HG2 ILE 63 6.270 -0.314 7.614 438 3HG2 ILE 63 3HG2 ILE 63 5.520 1.241 8.045 439 1HD1 ILE 63 1HD1 ILE 63 5.489 3.315 10.486 440 2HD1 ILE 63 2HD1 ILE 63 4.835 1.666 10.330 441 3HD1 ILE 63 3HD1 ILE 63 5.571 2.190 11.863 442 H ILE 64 H ILE 64 5.336 -2.560 8.802 443 HA ILE 64 HA ILE 64 3.183 -1.463 7.359 444 HB ILE 64 HB ILE 64 4.305 -4.223 7.734 445 2HG1 ILE 64 2HG1 ILE 64 5.227 -2.187 6.251 446 1HG2 ILE 64 1HG2 ILE 64 1.799 -3.438 6.241 447 2HG2 ILE 64 2HG2 ILE 64 2.740 -4.898 5.852 448 3HG2 ILE 64 3HG2 ILE 64 2.011 -4.712 7.465 449 1HD1 ILE 64 1HD1 ILE 64 6.677 -3.852 5.760 450 2HD1 ILE 64 2HD1 ILE 64 5.480 -5.059 6.288 451 3HD1 ILE 64 3HD1 ILE 64 5.505 -4.512 4.595 452 H LYS 65 H LYS 65 3.379 -3.712 10.191 453 HA LYS 65 HA LYS 65 0.583 -3.980 10.415 454 2HB LYS 65 2HB LYS 65 2.224 -5.600 11.300 455 2HG LYS 65 2HG LYS 65 3.025 -3.201 12.898 456 2HD LYS 65 2HD LYS 65 2.794 -6.005 14.078 457 2HE LYS 65 2HE LYS 65 4.198 -3.642 15.377 458 1HZ LYS 65 1HZ LYS 65 3.421 -5.659 16.663 459 2HZ LYS 65 2HZ LYS 65 4.503 -6.554 15.840 460 H ARG 66 H ARG 66 2.980 -1.629 11.624 461 HA ARG 66 HA ARG 66 1.201 -0.490 13.478 462 2HB ARG 66 2HB ARG 66 2.932 1.429 13.413 463 2HG ARG 66 2HG ARG 66 4.835 -0.579 13.895 464 2HD ARG 66 2HD ARG 66 2.916 1.061 15.470 465 HE ARG 66 HE ARG 66 4.162 -1.045 17.100 466 1HH1 ARG 66 2HH2 ARG 66 1.207 -0.003 15.447 467 2HH1 ARG 66 1HH2 ARG 66 0.168 -0.999 16.410 468 2HH2 ARG 66 1HH ARG 66 1.122 -2.377 18.123 469 H LEU 67 H LEU 67 2.091 0.089 10.052 470 HA LEU 67 HA LEU 67 0.735 2.578 9.866 471 2HB LEU 67 2HB LEU 67 0.959 1.964 7.347 472 HG LEU 67 HG LEU 67 3.571 2.116 8.859 473 1HD1 LEU 67 1HD1 LEU 67 4.044 3.636 6.797 474 2HD1 LEU 67 2HD1 LEU 67 4.087 1.865 6.621 475 3HD1 LEU 67 3HD1 LEU 67 2.661 2.780 6.076 476 1HD2 LEU 67 1HD2 LEU 67 1.369 4.036 8.841 477 2HD2 LEU 67 2HD2 LEU 67 2.834 3.972 9.850 478 3HD2 LEU 67 3HD2 LEU 67 2.897 4.724 8.238 479 H LEU 68 H LEU 68 -0.075 -0.861 9.148 480 HA LEU 68 HA LEU 68 -2.443 -0.523 7.851 481 2HB LEU 68 2HB LEU 68 -1.043 -2.619 8.686 482 HG LEU 68 HG LEU 68 -2.075 -2.318 11.065 483 1HD1 LEU 68 1HD1 LEU 68 -4.352 -2.037 10.701 484 2HD1 LEU 68 2HD1 LEU 68 -4.420 -3.318 9.467 485 3HD1 LEU 68 3HD1 LEU 68 -4.229 -3.746 11.185 486 1HD2 LEU 68 1HD2 LEU 68 -2.572 -5.090 10.501 487 2HD2 LEU 68 2HD2 LEU 68 -1.165 -4.532 9.564 488 3HD2 LEU 68 3HD2 LEU 68 -1.192 -4.333 11.332 489 H GLU 69 H GLU 69 -1.828 -0.440 11.412 490 HA GLU 69 HA GLU 69 -4.432 -0.234 12.203 491 2HB GLU 69 2HB GLU 69 -3.538 0.744 14.281 492 2HG GLU 69 2HG GLU 69 -1.247 -0.861 14.134 493 HE2 GLU 69 HE GLU 69 -4.129 -2.466 13.582 494 H GLU 70 H GLU 70 -2.406 2.082 10.523 495 HA GLU 70 HA GLU 70 -4.165 4.255 11.249 496 2HB GLU 70 2HB GLU 70 -2.541 5.696 10.123 497 2HG GLU 70 2HG GLU 70 -0.342 4.576 11.243 498 HE2 GLU 70 HE GLU 70 -0.810 7.346 12.516 499 H SER 71 H SER 71 -3.137 2.278 8.418 500 HA SER 71 HA SER 71 -4.952 3.720 6.729 501 2HB SER 71 2HB SER 71 -3.984 2.517 4.923 502 HG SER 71 HG SER 71 -1.857 2.502 6.883 503 H ASN 72 H ASN 72 -4.420 0.188 7.463 504 HA ASN 72 HA ASN 72 -6.634 -0.842 6.477 505 2HB ASN 72 2HB ASN 72 -6.274 -1.875 9.210 506 1HD2 ASN 72 1HD2 ASN 72 -4.626 -2.351 6.091 507 2HD2 ASN 72 2HD2 ASN 72 -5.280 -3.914 5.731 508 H LYS 73 H LYS 73 -6.337 1.283 9.308 509 HA LYS 73 HA LYS 73 -8.700 0.721 10.628 510 2HB LYS 73 2HB LYS 73 -8.085 3.544 10.696 511 2HG LYS 73 2HG LYS 73 -7.109 2.459 13.014 512 2HD LYS 73 2HD LYS 73 -9.008 4.079 12.802 513 2HE LYS 73 2HE LYS 73 -11.242 2.338 12.829 514 1HZ LYS 73 1HZ LYS 73 -11.842 3.601 10.921 515 2HZ LYS 73 2HZ LYS 73 -10.948 4.626 11.816 516 H GLU 74 H GLU 74 -8.088 3.309 8.145 517 HA GLU 74 HA GLU 74 -10.899 3.700 7.901 518 2HB GLU 74 2HB GLU 74 -9.531 5.659 7.696 519 2HG GLU 74 2HG GLU 74 -8.021 5.452 5.371 520 HE2 GLU 74 HE GLU 74 -5.978 5.932 5.851 521 H GLY 75 H GLY 75 -9.013 1.212 6.933 522 1HA GLY 75 1HA GLY 75 -10.424 0.909 4.348 523 2HA GLY 75 2HA GLY 75 -8.793 0.341 4.643 524 H ILE 76 H ILE 76 -9.935 -1.747 3.865 525 HA ILE 76 HA ILE 76 -11.499 -2.986 5.985 526 HB ILE 76 HB ILE 76 -12.104 -2.984 3.497 527 2HG1 ILE 76 2HG1 ILE 76 -12.031 -5.640 4.959 528 1HG2 ILE 76 1HG2 ILE 76 -11.104 -4.570 2.059 529 2HG2 ILE 76 2HG2 ILE 76 -9.762 -3.665 2.799 530 3HG2 ILE 76 3HG2 ILE 76 -10.163 -5.298 3.382 531 1HD1 ILE 76 1HD1 ILE 76 -13.709 -3.140 5.269 532 2HD1 ILE 76 2HD1 ILE 76 -14.433 -4.738 5.568 533 3HD1 ILE 76 3HD1 ILE 76 -13.034 -4.201 6.529 534 H HIS 77 H HIS 77 -10.929 -5.344 6.506 535 HA HIS 77 HA HIS 77 -8.424 -5.407 7.643 536 2HB HIS 77 2HB HIS 77 -9.337 -8.079 7.133 537 HD1 HIS 77 1HD HIS 77 -11.249 -6.801 9.913 538 HD2 HIS 77 2HD HIS 77 -7.209 -7.722 9.260 539 HE1 HIS 77 1HE HIS 77 -10.192 -7.058 12.221 540 H VAL 78 H VAL 78 -6.620 -5.040 6.389 541 HA VAL 78 HA VAL 78 -6.118 -7.059 4.331 542 HB VAL 78 HB VAL 78 -6.251 -4.109 4.045 543 1HG1 VAL 78 1HG1 VAL 78 -3.942 -5.754 3.098 544 2HG1 VAL 78 2HG1 VAL 78 -4.609 -4.536 1.986 545 3HG1 VAL 78 3HG1 VAL 78 -4.009 -4.044 3.587 546 1HG2 VAL 78 1HG2 VAL 78 -7.501 -4.607 2.241 547 2HG2 VAL 78 2HG2 VAL 78 -6.363 -5.853 1.673 548 3HG2 VAL 78 3HG2 VAL 78 -7.564 -6.249 2.927 549 H ILE 79 H ILE 79 -3.934 -7.709 4.168 550 HA ILE 79 HA ILE 79 -2.219 -6.585 6.273 551 HB ILE 79 HB ILE 79 -1.226 -8.806 6.488 552 2HG1 ILE 79 2HG1 ILE 79 -1.929 -9.466 4.086 553 1HG2 ILE 79 1HG2 ILE 79 -3.355 -7.923 7.745 554 2HG2 ILE 79 2HG2 ILE 79 -4.167 -9.236 6.860 555 3HG2 ILE 79 3HG2 ILE 79 -2.808 -9.605 7.949 556 1HD1 ILE 79 1HD1 ILE 79 -2.185 -11.924 4.868 557 2HD1 ILE 79 2HD1 ILE 79 -0.707 -11.067 5.368 558 3HD1 ILE 79 3HD1 ILE 79 -2.044 -11.282 6.523 559 H HIS 80 H HIS 80 -2.146 -5.166 4.019 560 HA HIS 80 HA HIS 80 -0.214 -6.337 2.223 561 2HB HIS 80 2HB HIS 80 -0.486 -4.036 1.103 562 HD1 HIS 80 1HD HIS 80 -3.455 -3.676 0.197 563 HD2 HIS 80 2HD HIS 80 -1.577 -7.375 0.815 564 HE1 HIS 80 1HE HIS 80 -4.757 -5.379 -1.188 565 H ASP 81 H ASP 81 1.710 -4.845 1.562 566 HA ASP 81 HA ASP 81 2.894 -3.961 4.065 567 2HB ASP 81 2HB ASP 81 5.062 -4.123 2.648 568 HD2 ASP 81 HD ASP 81 3.908 -7.124 4.675 569 H SER 82 H SER 82 4.752 -2.160 3.486 570 HA SER 82 HA SER 82 3.316 0.035 2.492 571 2HB SER 82 2HB SER 82 6.317 0.078 2.821 572 HG SER 82 HG SER 82 4.412 1.927 2.621 573 H ILE 83 H ILE 83 5.665 -2.271 1.146 574 HA ILE 83 HA ILE 83 6.278 -0.684 -1.142 575 HB ILE 83 HB ILE 83 6.663 -3.649 -0.742 576 2HG1 ILE 83 2HG1 ILE 83 7.629 -2.649 1.183 577 1HG2 ILE 83 1HG2 ILE 83 7.069 -2.106 -2.982 578 2HG2 ILE 83 2HG2 ILE 83 8.675 -2.111 -2.217 579 3HG2 ILE 83 3HG2 ILE 83 7.876 -3.651 -2.618 580 1HD1 ILE 83 1HD1 ILE 83 9.260 -3.777 -0.903 581 2HD1 ILE 83 2HD1 ILE 83 10.194 -2.488 -0.106 582 3HD1 ILE 83 3HD1 ILE 83 9.529 -3.831 0.856 583 H THR 84 H THR 84 3.885 -3.190 -0.265 584 HA THR 84 HA THR 84 2.975 -3.542 -2.951 585 HB THR 84 HB THR 84 2.406 -4.545 -0.205 586 HG1 THR 84 1HG THR 84 2.076 -6.439 -1.730 587 1HG2 THR 84 1HG2 THR 84 0.186 -5.437 -0.804 588 2HG2 THR 84 2HG2 THR 84 0.123 -3.660 -0.880 589 3HG2 THR 84 3HG2 THR 84 0.249 -4.611 -2.379 590 H LEU 85 H LEU 85 2.139 -1.408 -0.218 591 HA LEU 85 HA LEU 85 -0.326 -0.555 -1.196 592 2HB LEU 85 2HB LEU 85 0.502 1.587 0.167 593 HG LEU 85 HG LEU 85 -1.209 0.586 1.284 594 1HD1 LEU 85 1HD1 LEU 85 -1.039 -1.929 1.972 595 2HD1 LEU 85 2HD1 LEU 85 -1.451 -1.484 0.299 596 3HD1 LEU 85 3HD1 LEU 85 0.207 -1.994 0.701 597 1HD2 LEU 85 1HD2 LEU 85 1.235 -0.281 2.845 598 2HD2 LEU 85 2HD2 LEU 85 0.316 1.234 3.009 599 3HD2 LEU 85 3HD2 LEU 85 -0.426 -0.312 3.483 600 H ALA 86 H ALA 86 3.041 0.456 -1.913 601 HA ALA 86 HA ALA 86 2.344 2.739 -3.393 602 1HB ALA 86 1HB ALA 86 4.709 2.248 -4.384 603 2HB ALA 86 2HB ALA 86 4.568 2.619 -2.649 604 3HB ALA 86 3HB ALA 86 4.759 0.933 -3.187 605 H PHE 87 H PHE 87 2.863 -0.727 -4.260 606 HA PHE 87 HA PHE 87 2.537 -0.277 -7.032 607 2HB PHE 87 2HB PHE 87 1.851 -2.897 -5.672 608 HD1 PHE 87 1HD PHE 87 5.092 -2.139 -7.193 609 HD2 PHE 87 2HD PHE 87 1.196 -3.680 -7.874 610 HE1 PHE 87 1HE PHE 87 5.859 -3.115 -9.374 611 HE2 PHE 87 2HE PHE 87 1.964 -4.656 -10.055 612 HZ PHE 87 HZ PHE 87 4.286 -4.362 -10.779 613 H LEU 88 H LEU 88 0.370 -1.576 -4.424 614 HA LEU 88 HA LEU 88 -1.808 -2.056 -6.087 615 2HB LEU 88 2HB LEU 88 -3.022 -1.646 -3.770 616 HG LEU 88 HG LEU 88 -2.938 -3.879 -4.494 617 1HD1 LEU 88 1HD1 LEU 88 -0.829 -5.225 -4.511 618 2HD1 LEU 88 2HD1 LEU 88 -0.879 -3.910 -5.709 619 3HD1 LEU 88 3HD1 LEU 88 0.073 -3.718 -4.218 620 1HD2 LEU 88 1HD2 LEU 88 -1.647 -3.417 -1.832 621 2HD2 LEU 88 2HD2 LEU 88 -3.254 -4.068 -2.229 622 3HD2 LEU 88 3HD2 LEU 88 -1.806 -5.079 -2.447 623 H ILE 89 H ILE 89 -0.905 0.851 -4.123 624 HA ILE 89 HA ILE 89 -3.170 2.331 -4.853 625 HB ILE 89 HB ILE 89 -0.437 3.114 -3.848 626 2HG1 ILE 89 2HG1 ILE 89 -2.024 1.712 -2.418 627 1HG2 ILE 89 1HG2 ILE 89 -2.579 4.789 -4.912 628 2HG2 ILE 89 2HG2 ILE 89 -2.155 5.193 -3.231 629 3HG2 ILE 89 3HG2 ILE 89 -0.898 5.198 -4.492 630 1HD1 ILE 89 1HD1 ILE 89 -0.173 3.041 -1.447 631 2HD1 ILE 89 2HD1 ILE 89 -1.204 4.491 -1.453 632 3HD1 ILE 89 3HD1 ILE 89 -1.613 3.113 -0.403 633 H ARG 90 H ARG 90 0.202 2.233 -6.182 634 HA ARG 90 HA ARG 90 0.145 4.141 -7.976 635 2HB ARG 90 2HB ARG 90 1.178 2.031 -9.514 636 2HG ARG 90 2HG ARG 90 2.668 3.344 -7.203 637 2HD ARG 90 2HD ARG 90 4.286 3.450 -9.409 638 HE ARG 90 HE ARG 90 4.132 1.724 -7.092 639 1HH1 ARG 90 2HH2 ARG 90 5.807 2.089 -10.194 640 2HH1 ARG 90 1HH2 ARG 90 7.210 1.214 -9.680 641 2HH2 ARG 90 1HH ARG 90 7.293 0.329 -7.454 642 H GLU 91 H GLU 91 -1.713 1.090 -8.131 643 HA GLU 91 HA GLU 91 -2.451 1.321 -10.812 644 2HB GLU 91 2HB GLU 91 -4.507 -0.089 -9.493 645 2HG GLU 91 2HG GLU 91 -3.001 -2.107 -10.142 646 HE2 GLU 91 HE GLU 91 -2.623 -1.086 -13.378 647 H LYS 92 H LYS 92 -3.967 2.395 -7.717 648 HA LYS 92 HA LYS 92 -6.159 3.588 -9.191 649 2HB LYS 92 2HB LYS 92 -5.784 2.527 -6.571 650 2HG LYS 92 2HG LYS 92 -7.070 4.464 -5.409 651 2HD LYS 92 2HD LYS 92 -4.211 5.226 -6.084 652 2HE LYS 92 2HE LYS 92 -5.008 4.946 -3.270 653 1HZ LYS 92 1HZ LYS 92 -4.446 7.561 -4.319 654 2HZ LYS 92 2HZ LYS 92 -3.644 6.725 -3.173 655 H ALA 93 H ALA 93 -2.974 4.373 -8.139 656 HA ALA 93 HA ALA 93 -3.385 7.098 -8.976 657 1HB ALA 93 1HB ALA 93 -2.344 7.989 -6.852 658 2HB ALA 93 2HB ALA 93 -3.989 7.340 -6.650 659 3HB ALA 93 3HB ALA 93 -2.583 6.380 -6.130 660 H SER 94 H SER 94 -2.047 5.983 -10.675 661 HA SER 94 HA SER 94 0.525 5.097 -9.940 662 2HB SER 94 2HB SER 94 -0.958 4.544 -12.050 663 HG SER 94 HG SER 94 -0.274 5.757 -13.914 664 H HIS 95 H HIS 95 -0.816 8.149 -9.903 665 HA HIS 95 HA HIS 95 1.396 9.542 -11.100 666 2HB HIS 95 2HB HIS 95 -0.160 11.372 -9.674 667 HD1 HIS 95 1HD HIS 95 0.491 9.628 -12.939 668 HD2 HIS 95 2HD HIS 95 -1.207 13.211 -11.572 669 HE1 HIS 95 1HE HIS 95 0.228 11.122 -14.990 670 H ARG 96 H ARG 96 -0.074 10.419 -7.952 671 HA ARG 96 HA ARG 96 2.605 10.558 -6.907 672 2HB ARG 96 2HB ARG 96 1.699 11.992 -5.204 673 2HG ARG 96 2HG ARG 96 -0.374 12.938 -7.001 674 2HD ARG 96 2HD ARG 96 0.993 14.458 -5.661 675 HE ARG 96 HE ARG 96 3.154 12.815 -6.265 676 1HH1 ARG 96 2HH2 ARG 96 2.537 16.290 -6.563 677 2HH1 ARG 96 1HH2 ARG 96 4.202 16.728 -6.369 678 2HH2 ARG 96 1HH ARG 96 5.837 15.008 -6.046 679 H ILE 97 H ILE 97 3.368 8.682 -5.966 680 HA ILE 97 HA ILE 97 1.453 7.170 -4.326 681 HB ILE 97 HB ILE 97 3.852 5.951 -5.656 682 2HG1 ILE 97 2HG1 ILE 97 1.523 7.018 -7.002 683 1HG2 ILE 97 1HG2 ILE 97 1.578 5.037 -4.051 684 2HG2 ILE 97 2HG2 ILE 97 1.819 4.098 -5.544 685 3HG2 ILE 97 3HG2 ILE 97 3.149 4.264 -4.372 686 1HD1 ILE 97 1HD1 ILE 97 3.918 5.388 -7.969 687 2HD1 ILE 97 2HD1 ILE 97 2.835 6.363 -8.992 688 3HD1 ILE 97 3HD1 ILE 97 3.883 7.160 -7.794 689 H VAL 98 H VAL 98 2.761 5.749 -2.647 690 HA VAL 98 HA VAL 98 4.548 7.639 -1.317 691 HB VAL 98 HB VAL 98 2.731 7.044 0.037 692 1HG1 VAL 98 1HG1 VAL 98 2.246 4.561 0.522 693 2HG1 VAL 98 2HG1 VAL 98 1.719 5.219 -1.045 694 3HG1 VAL 98 3HG1 VAL 98 3.191 4.224 -0.948 695 1HG2 VAL 98 1HG2 VAL 98 4.735 5.031 1.031 696 2HG2 VAL 98 2HG2 VAL 98 5.159 6.758 0.966 697 3HG2 VAL 98 3HG2 VAL 98 3.771 6.218 1.942 698 H HIS 99 H HIS 99 6.571 6.894 -0.383 699 HA HIS 99 HA HIS 99 7.561 4.483 -1.724 700 2HB HIS 99 2HB HIS 99 9.712 6.263 -1.127 701 HD1 HIS 99 1HD HIS 99 10.304 3.852 -2.459 702 HD2 HIS 99 2HD HIS 99 8.610 6.993 -4.665 703 HE1 HIS 99 1HE HIS 99 10.812 3.360 -4.910 704 H ARG 100 H ARG 100 10.006 4.202 -0.448 705 HA ARG 100 HA ARG 100 9.434 4.371 2.369 706 2HB ARG 100 2HB ARG 100 8.573 2.163 1.928 707 2HG ARG 100 2HG ARG 100 10.460 2.207 -0.236 708 2HD ARG 100 2HD ARG 100 10.671 -0.443 1.193 709 HE ARG 100 HE ARG 100 11.775 0.685 -1.165 710 1HH1 ARG 100 2HH2 ARG 100 12.906 -1.103 1.677 711 2HH1 ARG 100 1HH2 ARG 100 14.241 -1.826 0.845 712 2HH2 ARG 100 1HH ARG 100 14.593 -1.323 -1.472 713 H VAL 101 H VAL 101 11.297 4.970 3.464 714 HA VAL 101 HA VAL 101 13.838 4.497 2.062 715 HB VAL 101 HB VAL 101 13.164 6.836 1.978 716 1HG1 VAL 101 1HG1 VAL 101 13.498 7.396 4.842 717 2HG1 VAL 101 2HG1 VAL 101 12.283 7.997 3.688 718 3HG1 VAL 101 3HG1 VAL 101 12.060 6.414 4.473 719 1HG2 VAL 101 1HG2 VAL 101 15.246 7.672 2.443 720 2HG2 VAL 101 2HG2 VAL 101 15.344 6.863 4.026 721 3HG2 VAL 101 3HG2 VAL 101 15.609 5.931 2.532 722 H VAL 102 H VAL 102 15.680 4.010 3.406 723 HA VAL 102 HA VAL 102 14.958 3.287 6.156 724 HB VAL 102 HB VAL 102 14.925 1.325 4.621 725 1HG1 VAL 102 1HG1 VAL 102 17.049 2.418 3.372 726 2HG1 VAL 102 2HG1 VAL 102 17.895 1.293 4.462 727 3HG1 VAL 102 3HG1 VAL 102 16.675 0.678 3.321 728 1HG2 VAL 102 1HG2 VAL 102 15.782 1.470 7.164 729 2HG2 VAL 102 2HG2 VAL 102 15.728 -0.054 6.246 730 3HG2 VAL 102 3HG2 VAL 102 17.261 0.836 6.404 731 H LYS 103 H LYS 103 15.924 5.303 6.818 732 HA LYS 103 HA LYS 103 18.621 5.074 7.461 733 2HB LYS 103 2HB LYS 103 18.254 7.192 5.348 734 2HG LYS 103 2HG LYS 103 20.825 6.443 5.221 735 2HD LYS 103 2HD LYS 103 19.386 8.543 6.516 736 2HE LYS 103 2HE LYS 103 21.047 7.009 8.388 737 1HZ LYS 103 1HZ LYS 103 22.812 8.452 8.151 738 2HZ LYS 103 2HZ LYS 103 21.914 9.700 7.615 739 H SER 104 H SER 104 15.850 7.246 6.714 740 HA SER 104 HA SER 104 16.307 8.423 9.330 741 2HB SER 104 2HB SER 104 15.569 10.009 6.831 742 HG SER 104 HG SER 104 16.533 11.198 9.229 743 H ASP 105 H ASP 105 14.169 9.943 9.773 744 HA ASP 105 HA ASP 105 12.013 8.073 9.478 745 2HB ASP 105 2HB ASP 105 11.301 10.601 10.763 746 HD2 ASP 105 HD ASP 105 12.383 7.383 12.216 747 H PHE 106 H PHE 106 10.158 8.466 8.180 748 HA PHE 106 HA PHE 106 9.926 11.114 6.971 749 2HB PHE 106 2HB PHE 106 9.331 8.694 5.285 750 HD1 PHE 106 1HD PHE 106 8.211 10.252 3.810 751 HD2 PHE 106 2HD PHE 106 12.288 10.812 4.850 752 HE1 PHE 106 1HE PHE 106 8.458 11.917 1.947 753 HE2 PHE 106 2HE PHE 106 12.534 12.476 2.986 754 HZ PHE 106 HZ PHE 106 10.616 13.008 1.558 755 H GLU 107 H GLU 107 7.735 11.211 5.677 756 HA GLU 107 HA GLU 107 5.759 9.432 6.742 757 2HB GLU 107 2HB GLU 107 4.343 11.368 7.585 758 2HG GLU 107 2HG GLU 107 7.043 10.948 8.952 759 HE2 GLU 107 HE GLU 107 3.621 11.360 9.966 760 H ILE 108 H ILE 108 3.809 9.426 5.478 761 HA ILE 108 HA ILE 108 3.684 11.338 3.292 762 HB ILE 108 HB ILE 108 3.358 8.472 2.562 763 2HG1 ILE 108 2HG1 ILE 108 6.018 9.804 3.082 764 1HG2 ILE 108 1HG2 ILE 108 3.898 11.078 1.231 765 2HG2 ILE 108 2HG2 ILE 108 4.612 9.621 0.499 766 3HG2 ILE 108 3HG2 ILE 108 2.850 9.726 0.740 767 1HD1 ILE 108 1HD1 ILE 108 5.810 6.951 3.564 768 2HD1 ILE 108 2HD1 ILE 108 6.160 8.255 4.723 769 3HD1 ILE 108 3HD1 ILE 108 4.475 7.793 4.386 770 H GLY 109 H GLY 109 1.572 11.771 2.624 771 1HA GLY 109 1HA GLY 109 -0.597 10.060 3.466 772 2HA GLY 109 2HA GLY 109 -0.491 11.568 4.353 773 H VAL 110 H VAL 110 -2.565 10.603 2.399 774 HA VAL 110 HA VAL 110 -2.407 12.916 0.608 775 HB VAL 110 HB VAL 110 -2.159 10.224 -0.163 776 1HG1 VAL 110 1HG1 VAL 110 -4.081 9.695 -1.451 777 2HG1 VAL 110 2HG1 VAL 110 -4.688 10.176 0.152 778 3HG1 VAL 110 3HG1 VAL 110 -4.782 11.313 -1.214 779 1HG2 VAL 110 1HG2 VAL 110 -1.404 11.218 -2.022 780 2HG2 VAL 110 2HG2 VAL 110 -2.962 12.027 -2.316 781 3HG2 VAL 110 3HG2 VAL 110 -1.768 12.767 -1.223 782 H THR 111 H THR 111 -4.643 13.501 -0.252 783 HA THR 111 HA THR 111 -6.629 12.922 1.845 784 HB THR 111 HB THR 111 -7.415 15.207 1.497 785 HG1 THR 111 1HG THR 111 -5.326 15.312 -0.551 786 1HG2 THR 111 1HG2 THR 111 -4.628 14.694 2.144 787 2HG2 THR 111 2HG2 THR 111 -4.735 16.188 1.184 788 3HG2 THR 111 3HG2 THR 111 -5.658 16.036 2.697 789 H ARG 112 H ARG 112 -5.840 12.831 -1.575 790 HA ARG 112 HA ARG 112 -8.311 11.440 -1.973 791 2HB ARG 112 2HB ARG 112 -9.368 13.005 -3.254 792 2HG ARG 112 2HG ARG 112 -7.029 14.661 -2.228 793 2HD ARG 112 2HD ARG 112 -8.162 15.469 -4.493 794 HE ARG 112 HE ARG 112 -10.201 16.702 -2.754 795 1HH1 ARG 112 2HH2 ARG 112 -9.497 14.156 -5.115 796 2HH1 ARG 112 1HH2 ARG 112 -11.158 13.928 -5.550 797 2HH2 ARG 112 1HH ARG 112 -12.843 15.258 -4.485 798 H ASP 113 H ASP 113 -5.351 12.886 -3.501 799 HA ASP 113 HA ASP 113 -4.035 10.699 -4.109 800 2HB ASP 113 2HB ASP 113 -6.337 11.030 -6.015 801 HD2 ASP 113 HD ASP 113 -3.019 10.198 -6.132 802 H GLY 114 H GLY 114 -5.323 13.830 -5.071 803 1HA GLY 114 1HA GLY 114 -3.322 14.454 -7.036 804 2HA GLY 114 2HA GLY 114 -4.503 15.535 -6.325 805 H GLU 115 H GLU 115 -4.108 16.194 -3.955 806 HA GLU 115 HA GLU 115 -1.405 17.055 -3.800 807 2HB GLU 115 2HB GLU 115 -2.921 18.697 -3.084 808 2HG GLU 115 2HG GLU 115 -4.518 17.781 -1.025 809 HE2 GLU 115 HE GLU 115 -5.964 17.722 -4.748 810 H ILE 116 H ILE 116 0.222 16.356 -2.394 811 HA ILE 116 HA ILE 116 -0.527 14.133 -0.626 812 HB ILE 116 HB ILE 116 2.208 14.134 -1.703 813 2HG1 ILE 116 2HG1 ILE 116 1.736 13.439 -3.900 814 1HG2 ILE 116 1HG2 ILE 116 1.871 12.220 -0.554 815 2HG2 ILE 116 2HG2 ILE 116 0.113 12.224 -0.837 816 3HG2 ILE 116 3HG2 ILE 116 1.219 11.663 -2.114 817 1HD1 ILE 116 1HD1 ILE 116 -0.633 13.244 -4.740 818 2HD1 ILE 116 2HD1 ILE 116 -0.219 12.019 -3.518 819 3HD1 ILE 116 3HD1 ILE 116 -1.199 13.432 -3.063 820 H ILE 117 H ILE 117 1.082 13.835 1.206 821 HA ILE 117 HA ILE 117 2.341 16.383 1.910 822 HB ILE 117 HB ILE 117 1.520 15.960 4.265 823 2HG1 ILE 117 2HG1 ILE 117 0.732 13.556 3.492 824 1HG2 ILE 117 1HG2 ILE 117 0.349 17.746 3.645 825 2HG2 ILE 117 2HG2 ILE 117 0.182 17.148 1.977 826 3HG2 ILE 117 3HG2 ILE 117 -0.978 16.635 3.226 827 1HD1 ILE 117 1HD1 ILE 117 -1.165 13.806 5.290 828 2HD1 ILE 117 2HD1 ILE 117 0.522 14.072 5.787 829 3HD1 ILE 117 3HD1 ILE 117 -0.542 15.463 5.472 830 H VAL 118 H VAL 118 4.315 16.194 2.971 831 HA VAL 118 HA VAL 118 5.140 13.465 3.646 832 HB VAL 118 HB VAL 118 7.439 14.417 2.696 833 1HG1 VAL 118 1HG1 VAL 118 6.166 12.315 2.083 834 2HG1 VAL 118 2HG1 VAL 118 5.358 13.269 0.817 835 3HG1 VAL 118 3HG1 VAL 118 7.123 13.046 0.772 836 1HG2 VAL 118 1HG2 VAL 118 6.613 16.573 1.981 837 2HG2 VAL 118 2HG2 VAL 118 7.015 15.606 0.542 838 3HG2 VAL 118 3HG2 VAL 118 5.315 15.809 1.032 839 H ASP 119 H ASP 119 6.892 13.389 5.243 840 HA ASP 119 HA ASP 119 7.625 15.859 6.457 841 2HB ASP 119 2HB ASP 119 6.465 13.948 8.437 842 HD2 ASP 119 HD ASP 119 6.195 17.946 8.703 843 H LEU 120 H LEU 120 9.141 15.314 8.445 844 HA LEU 120 HA LEU 120 10.471 12.752 7.899 845 2HB LEU 120 2HB LEU 120 11.469 15.330 7.641 846 HG LEU 120 HG LEU 120 11.768 15.000 10.298 847 1HD1 LEU 120 1HD1 LEU 120 13.272 12.894 9.411 848 2HD1 LEU 120 2HD1 LEU 120 14.501 14.167 9.607 849 3HD1 LEU 120 3HD1 LEU 120 13.466 13.710 10.980 850 1HD2 LEU 120 1HD2 LEU 120 12.698 16.983 9.962 851 2HD2 LEU 120 2HD2 LEU 120 14.198 16.192 9.422 852 3HD2 LEU 120 3HD2 LEU 120 12.931 16.599 8.240 853 H ASN 121 H ASN 121 8.282 14.028 9.911 854 HA ASN 121 HA ASN 121 7.627 13.602 11.933 855 2HB ASN 121 2HB ASN 121 9.744 11.427 11.675 856 1HD2 ASN 121 1HD2 ASN 121 6.877 12.113 13.673 857 2HD2 ASN 121 2HD2 ASN 121 7.549 11.636 15.196 858 H SER 122 H SER 122 8.082 14.400 14.088 859 HA SER 122 HA SER 122 10.862 14.984 14.652 860 2HB SER 122 2HB SER 122 8.774 17.113 15.172 861 HG SER 122 HG SER 122 10.523 18.407 15.404 Start of MODEL 17 1 H MET 1 H MET 1 4.674 -9.010 -14.949 2 HA MET 1 HA MET 1 5.220 -8.269 -17.713 3 2HB MET 1 2HB MET 1 3.617 -6.273 -16.258 4 2HG MET 1 2HG MET 1 3.981 -7.060 -18.892 5 1HE MET 1 1HE MET 1 2.206 -8.818 -20.980 6 2HE MET 1 2HE MET 1 0.834 -7.701 -20.783 7 3HE MET 1 3HE MET 1 2.500 -7.082 -20.719 8 H ARG 2 H ARG 2 5.005 -7.046 -14.294 9 HA ARG 2 HA ARG 2 7.595 -5.836 -14.742 10 2HB ARG 2 2HB ARG 2 5.951 -4.014 -15.066 11 2HG ARG 2 2HG ARG 2 4.920 -4.997 -12.377 12 2HD ARG 2 2HD ARG 2 5.381 -2.411 -12.524 13 HE ARG 2 HE ARG 2 3.421 -2.759 -14.689 14 1HH1 ARG 2 2HH2 ARG 2 4.786 -0.502 -12.323 15 2HH1 ARG 2 1HH2 ARG 2 4.293 0.908 -13.200 16 2HH2 ARG 2 1HH ARG 2 3.110 0.652 -15.268 17 H GLU 3 H GLU 3 8.904 -5.719 -12.812 18 HA GLU 3 HA GLU 3 7.755 -7.248 -10.616 19 2HB GLU 3 2HB GLU 3 10.236 -7.585 -10.000 20 2HG GLU 3 2HG GLU 3 9.573 -8.629 -12.776 21 HE2 GLU 3 HE GLU 3 11.899 -11.079 -12.063 22 H ARG 4 H ARG 4 7.402 -6.249 -8.670 23 HA ARG 4 HA ARG 4 9.027 -4.495 -7.460 24 2HB ARG 4 2HB ARG 4 6.939 -2.591 -8.252 25 2HG ARG 4 2HG ARG 4 9.927 -2.720 -8.003 26 2HD ARG 4 2HD ARG 4 8.468 -0.587 -9.641 27 HE ARG 4 HE ARG 4 10.771 -0.265 -8.073 28 1HH1 ARG 4 2HH2 ARG 4 9.992 -0.009 -11.520 29 2HH1 ARG 4 1HH2 ARG 4 11.213 1.178 -11.834 30 2HH2 ARG 4 1HH ARG 4 12.608 1.932 -10.038 31 H GLY 5 H GLY 5 7.825 -3.255 -5.610 32 1HA GLY 5 1HA GLY 5 6.355 -3.270 -3.911 33 2HA GLY 5 2HA GLY 5 5.111 -3.677 -5.076 34 H TRP 6 H TRP 6 4.434 -5.851 -5.358 35 HA TRP 6 HA TRP 6 5.359 -7.622 -3.225 36 2HB TRP 6 2HB TRP 6 3.141 -7.709 -2.969 37 HD1 TRP 6 HD TRP 6 2.324 -5.154 -3.780 38 HE1 TRP 6 1HE TRP 6 0.725 -4.329 -5.711 39 HE3 TRP 6 3HE TRP 6 2.552 -9.435 -6.514 40 HZ2 TRP 6 2HZ TRP 6 -0.243 -5.532 -8.111 41 HZ3 TRP 6 3HZ TRP 6 1.250 -9.528 -8.639 42 HH2 TRP 6 HH TRP 6 -0.112 -7.666 -9.447 43 H SER 7 H SER 7 7.384 -7.507 -4.899 44 HA SER 7 HA SER 7 6.947 -9.388 -7.043 45 2HB SER 7 2HB SER 7 9.570 -8.027 -6.339 46 HG SER 7 HG SER 7 8.396 -9.200 -8.688 47 H GLN 8 H GLN 8 8.821 -8.955 -3.991 48 HA GLN 8 HA GLN 8 8.707 -11.562 -3.260 49 2HB GLN 8 2HB GLN 8 11.529 -11.485 -3.977 50 2HG GLN 8 2HG GLN 8 9.791 -13.441 -5.343 51 1HE2 GLN 8 1HE2 GLN 8 11.139 -13.804 -2.141 52 2HE2 GLN 8 2HE2 GLN 8 12.557 -14.703 -2.568 53 H LYS 9 H LYS 9 8.344 -9.397 -1.789 54 HA LYS 9 HA LYS 9 10.759 -8.405 -0.628 55 2HB LYS 9 2HB LYS 9 9.092 -7.341 0.985 56 2HG LYS 9 2HG LYS 9 8.332 -5.718 -0.691 57 2HD LYS 9 2HD LYS 9 10.974 -6.366 -0.270 58 2HE LYS 9 2HE LYS 9 10.318 -7.226 -2.982 59 1HZ LYS 9 1HZ LYS 9 11.016 -4.843 -3.392 60 2HZ LYS 9 2HZ LYS 9 12.491 -5.216 -2.809 61 H LYS 10 H LYS 10 7.962 -9.900 1.111 62 HA LYS 10 HA LYS 10 9.409 -12.111 2.040 63 2HB LYS 10 2HB LYS 10 9.072 -10.256 4.339 64 2HG LYS 10 2HG LYS 10 11.450 -11.389 4.693 65 2HD LYS 10 2HD LYS 10 10.075 -13.618 5.296 66 2HE LYS 10 2HE LYS 10 9.994 -10.868 6.553 67 1HZ LYS 10 1HZ LYS 10 8.385 -11.456 8.007 68 2HZ LYS 10 2HZ LYS 10 7.924 -12.589 6.931 69 H ILE 11 H ILE 11 7.138 -9.733 3.593 70 HA ILE 11 HA ILE 11 5.356 -11.856 4.267 71 HB ILE 11 HB ILE 11 4.931 -8.872 4.423 72 2HG1 ILE 11 2HG1 ILE 11 7.035 -9.533 5.530 73 1HG2 ILE 11 1HG2 ILE 11 3.214 -11.057 4.950 74 2HG2 ILE 11 2HG2 ILE 11 3.713 -10.398 6.527 75 3HG2 ILE 11 3HG2 ILE 11 2.956 -9.334 5.317 76 1HD1 ILE 11 1HD1 ILE 11 6.008 -7.709 6.629 77 2HD1 ILE 11 2HD1 ILE 11 4.635 -8.696 7.183 78 3HD1 ILE 11 3HD1 ILE 11 6.233 -8.889 7.942 79 H ALA 12 H ALA 12 6.090 -10.446 1.349 80 HA ALA 12 HA ALA 12 3.776 -9.649 0.181 81 1HB ALA 12 1HB ALA 12 6.116 -9.778 -0.795 82 2HB ALA 12 2HB ALA 12 5.812 -11.504 -1.106 83 3HB ALA 12 3HB ALA 12 4.810 -10.267 -1.901 84 H ARG 13 H ARG 13 4.877 -13.013 0.865 85 HA ARG 13 HA ARG 13 2.929 -14.313 -0.534 86 2HB ARG 13 2HB ARG 13 4.800 -15.533 0.433 87 2HG ARG 13 2HG ARG 13 3.669 -15.122 3.218 88 2HD ARG 13 2HD ARG 13 5.537 -16.866 2.399 89 HE ARG 13 HE ARG 13 6.905 -14.300 2.162 90 1HH1 ARG 13 2HH2 ARG 13 7.364 -17.716 2.981 91 2HH1 ARG 13 1HH2 ARG 13 9.056 -17.707 2.607 92 2HH2 ARG 13 1HH ARG 13 10.076 -15.680 1.836 93 H GLU 14 H GLU 14 2.960 -13.324 2.971 94 HA GLU 14 HA GLU 14 0.474 -14.285 3.592 95 2HB GLU 14 2HB GLU 14 1.310 -11.713 4.873 96 2HG GLU 14 2HG GLU 14 0.849 -14.491 6.045 97 HE2 GLU 14 HE GLU 14 -0.369 -12.114 8.564 98 H LEU 15 H LEU 15 1.465 -11.271 1.954 99 HA LEU 15 HA LEU 15 -0.959 -9.903 2.205 100 2HB LEU 15 2HB LEU 15 -0.028 -8.848 -0.019 101 HG LEU 15 HG LEU 15 0.082 -7.720 2.194 102 1HD1 LEU 15 1HD1 LEU 15 2.834 -8.913 2.528 103 2HD1 LEU 15 2HD1 LEU 15 1.867 -7.980 3.696 104 3HD1 LEU 15 3HD1 LEU 15 1.384 -9.638 3.265 105 1HD2 LEU 15 1HD2 LEU 15 2.606 -6.788 1.495 106 2HD2 LEU 15 2HD2 LEU 15 1.935 -7.418 -0.029 107 3HD2 LEU 15 3HD2 LEU 15 1.041 -6.189 0.896 108 H LYS 16 H LYS 16 0.328 -11.939 -0.518 109 HA LYS 16 HA LYS 16 -1.902 -11.802 -2.113 110 2HB LYS 16 2HB LYS 16 -0.573 -14.420 -2.118 111 2HG LYS 16 2HG LYS 16 0.096 -12.845 -4.377 112 2HD LYS 16 2HD LYS 16 -1.958 -14.175 -5.353 113 2HE LYS 16 2HE LYS 16 -0.551 -16.415 -4.689 114 1HZ LYS 16 1HZ LYS 16 1.071 -15.492 -6.483 115 2HZ LYS 16 2HZ LYS 16 -0.479 -15.755 -6.904 116 H THR 17 H THR 17 -1.318 -13.657 0.862 117 HA THR 17 HA THR 17 -3.698 -15.255 0.478 118 HB THR 17 HB THR 17 -1.632 -14.951 2.717 119 HG1 THR 17 1HG THR 17 -2.365 -16.974 0.717 120 1HG2 THR 17 1HG2 THR 17 -3.938 -16.939 2.370 121 2HG2 THR 17 2HG2 THR 17 -2.597 -17.142 3.523 122 3HG2 THR 17 3HG2 THR 17 -3.738 -15.789 3.714 123 H THR 18 H THR 18 -2.769 -12.201 1.975 124 HA THR 18 HA THR 18 -5.189 -12.120 3.569 125 HB THR 18 HB THR 18 -2.698 -11.150 3.984 126 HG1 THR 18 1HG THR 18 -4.277 -10.887 5.583 127 1HG2 THR 18 1HG2 THR 18 -4.079 -8.586 3.269 128 2HG2 THR 18 2HG2 THR 18 -2.342 -8.974 3.261 129 3HG2 THR 18 3HG2 THR 18 -3.375 -9.490 1.907 130 H ARG 19 H ARG 19 -6.111 -9.577 3.381 131 HA ARG 19 HA ARG 19 -7.225 -8.148 2.172 132 2HB ARG 19 2HB ARG 19 -6.858 -9.220 -0.554 133 2HG ARG 19 2HG ARG 19 -6.649 -6.656 0.938 134 2HD ARG 19 2HD ARG 19 -5.322 -6.248 -1.594 135 HE ARG 19 HE ARG 19 -3.939 -5.907 1.005 136 1HH1 ARG 19 2HH2 ARG 19 -6.060 -4.488 -1.452 137 2HH1 ARG 19 1HH2 ARG 19 -5.810 -2.863 -0.909 138 2HH2 ARG 19 1HH ARG 19 -4.363 -2.460 0.959 139 H GLN 20 H GLN 20 -7.862 -11.197 2.772 140 HA GLN 20 HA GLN 20 -9.386 -12.719 2.231 141 2HB GLN 20 2HB GLN 20 -11.503 -12.054 3.037 142 2HG GLN 20 2HG GLN 20 -11.043 -10.104 4.651 143 1HE2 GLN 20 1HE2 GLN 20 -8.206 -10.607 5.567 144 2HE2 GLN 20 2HE2 GLN 20 -8.230 -12.170 6.313 145 H ASN 21 H ASN 21 -8.181 -11.871 -0.184 146 HA ASN 21 HA ASN 21 -8.478 -11.619 -2.336 147 2HB ASN 21 2HB ASN 21 -10.944 -13.390 -1.979 148 1HD2 ASN 21 1HD2 ASN 21 -11.818 -13.499 -3.898 149 2HD2 ASN 21 2HD2 ASN 21 -11.000 -13.646 -5.418 150 H VAL 22 H VAL 22 -9.990 -9.681 -0.579 151 HA VAL 22 HA VAL 22 -12.399 -9.202 -2.154 152 HB VAL 22 HB VAL 22 -12.527 -9.267 0.306 153 1HG1 VAL 22 1HG1 VAL 22 -10.209 -7.562 0.102 154 2HG1 VAL 22 2HG1 VAL 22 -11.488 -6.738 1.027 155 3HG1 VAL 22 3HG1 VAL 22 -10.914 -8.343 1.538 156 1HG2 VAL 22 1HG2 VAL 22 -13.098 -6.415 -0.185 157 2HG2 VAL 22 2HG2 VAL 22 -13.754 -7.524 -1.414 158 3HG2 VAL 22 3HG2 VAL 22 -14.184 -7.739 0.300 159 H SER 23 H SER 23 -9.124 -8.520 -2.286 160 HA SER 23 HA SER 23 -9.680 -6.245 -3.951 161 2HB SER 23 2HB SER 23 -7.323 -5.704 -2.281 162 HG SER 23 HG SER 23 -8.030 -3.868 -3.177 163 H ALA 24 H ALA 24 -6.651 -7.490 -2.384 164 HA ALA 24 HA ALA 24 -4.694 -7.972 -3.401 165 1HB ALA 24 1HB ALA 24 -6.639 -10.033 -4.516 166 2HB ALA 24 2HB ALA 24 -4.867 -10.206 -4.522 167 3HB ALA 24 3HB ALA 24 -5.748 -10.126 -2.976 168 H ILE 25 H ILE 25 -4.955 -5.803 -4.644 169 HA ILE 25 HA ILE 25 -5.874 -5.582 -7.181 170 HB ILE 25 HB ILE 25 -3.438 -4.379 -5.875 171 2HG1 ILE 25 2HG1 ILE 25 -6.133 -4.029 -5.355 172 1HG2 ILE 25 1HG2 ILE 25 -2.798 -3.632 -7.868 173 2HG2 ILE 25 2HG2 ILE 25 -4.264 -4.264 -8.655 174 3HG2 ILE 25 3HG2 ILE 25 -4.285 -2.653 -7.897 175 1HD1 ILE 25 1HD1 ILE 25 -4.687 -3.259 -3.700 176 2HD1 ILE 25 2HD1 ILE 25 -3.602 -2.470 -4.870 177 3HD1 ILE 25 3HD1 ILE 25 -5.153 -1.710 -4.444 178 H GLU 26 H GLU 26 -3.168 -7.500 -6.016 179 HA GLU 26 HA GLU 26 -1.790 -7.666 -8.430 180 2HB GLU 26 2HB GLU 26 -0.571 -8.347 -6.539 181 2HG GLU 26 2HG GLU 26 -1.927 -10.596 -5.445 182 HE2 GLU 26 HE GLU 26 -1.890 -8.804 -2.458 183 H ARG 27 H ARG 27 -4.482 -9.571 -6.989 184 HA ARG 27 HA ARG 27 -4.427 -11.475 -9.069 185 2HB ARG 27 2HB ARG 27 -6.793 -12.009 -8.036 186 2HG ARG 27 2HG ARG 27 -4.394 -12.064 -6.151 187 2HD ARG 27 2HD ARG 27 -7.054 -13.123 -5.986 188 HE ARG 27 HE ARG 27 -5.632 -15.026 -7.337 189 1HH1 ARG 27 2HH2 ARG 27 -6.695 -14.861 -3.961 190 2HH1 ARG 27 1HH2 ARG 27 -6.813 -16.580 -3.784 191 2HH2 ARG 27 1HH ARG 27 -6.275 -17.991 -5.646 192 H LYS 28 H LYS 28 -6.556 -8.673 -8.168 193 HA LYS 28 HA LYS 28 -8.341 -8.929 -10.281 194 2HB LYS 28 2HB LYS 28 -8.574 -6.355 -9.810 195 2HG LYS 28 2HG LYS 28 -9.591 -7.062 -7.464 196 2HD LYS 28 2HD LYS 28 -10.544 -7.124 -10.090 197 2HE LYS 28 2HE LYS 28 -10.261 -9.852 -9.210 198 1HZ LYS 28 1HZ LYS 28 -13.003 -8.781 -9.119 199 2HZ LYS 28 2HZ LYS 28 -12.766 -10.301 -9.654 200 H ALA 29 H ALA 29 -5.132 -7.341 -10.031 201 HA ALA 29 HA ALA 29 -5.271 -6.026 -12.508 202 1HB ALA 29 1HB ALA 29 -3.686 -5.417 -10.744 203 2HB ALA 29 2HB ALA 29 -2.906 -7.014 -10.862 204 3HB ALA 29 3HB ALA 29 -2.802 -5.869 -12.221 205 H MET 30 H MET 30 -3.513 -9.071 -11.557 206 HA MET 30 HA MET 30 -2.865 -9.738 -14.158 207 2HB MET 30 2HB MET 30 -3.178 -12.143 -12.615 208 2HG MET 30 2HG MET 30 -0.605 -11.521 -12.145 209 1HE MET 30 1HE MET 30 -0.809 -11.776 -16.532 210 2HE MET 30 2HE MET 30 -0.615 -10.429 -15.384 211 3HE MET 30 3HE MET 30 0.694 -11.617 -15.594 212 H GLU 31 H GLU 31 -5.928 -9.685 -12.642 213 HA GLU 31 HA GLU 31 -6.983 -11.956 -13.993 214 2HB GLU 31 2HB GLU 31 -9.126 -10.314 -13.158 215 2HG GLU 31 2HG GLU 31 -7.923 -12.207 -11.176 216 HE2 GLU 31 HE GLU 31 -10.295 -12.854 -9.961 217 H ASN 32 H ASN 32 -5.716 -10.460 -15.925 218 HA ASN 32 HA ASN 32 -5.952 -9.420 -17.816 219 2HB ASN 32 2HB ASN 32 -8.443 -9.696 -18.837 220 1HD2 ASN 32 1HD2 ASN 32 -6.197 -9.940 -19.960 221 2HD2 ASN 32 2HD2 ASN 32 -5.760 -11.554 -20.414 222 H ILE 33 H ILE 33 -6.420 -7.820 -15.407 223 HA ILE 33 HA ILE 33 -8.722 -6.256 -15.568 224 HB ILE 33 HB ILE 33 -6.542 -6.524 -13.889 225 2HG1 ILE 33 2HG1 ILE 33 -8.775 -6.203 -13.104 226 1HG2 ILE 33 1HG2 ILE 33 -5.389 -4.804 -15.330 227 2HG2 ILE 33 2HG2 ILE 33 -6.617 -3.636 -14.787 228 3HG2 ILE 33 3HG2 ILE 33 -5.527 -4.397 -13.603 229 1HD1 ILE 33 1HD1 ILE 33 -6.932 -5.309 -11.645 230 2HD1 ILE 33 2HD1 ILE 33 -7.167 -3.709 -12.388 231 3HD1 ILE 33 3HD1 ILE 33 -8.472 -4.442 -11.425 232 H GLU 34 H GLU 34 -8.402 -3.687 -15.879 233 HA GLU 34 HA GLU 34 -7.780 -1.999 -17.165 234 2HB GLU 34 2HB GLU 34 -6.362 -3.548 -19.284 235 2HG GLU 34 2HG GLU 34 -4.604 -1.708 -18.379 236 HE2 GLU 34 HE GLU 34 -7.280 -0.123 -20.895 237 H LYS 35 H LYS 35 -9.987 -4.128 -17.483 238 HA LYS 35 HA LYS 35 -10.688 -3.481 -20.262 239 2HB LYS 35 2HB LYS 35 -12.303 -5.603 -19.269 240 2HG LYS 35 2HG LYS 35 -10.222 -5.134 -21.388 241 2HD LYS 35 2HD LYS 35 -10.798 -7.776 -20.137 242 2HE LYS 35 2HE LYS 35 -11.636 -7.229 -22.882 243 1HZ LYS 35 1HZ LYS 35 -10.257 -8.627 -24.050 244 2HZ LYS 35 2HZ LYS 35 -9.146 -8.081 -22.993 245 H SER 36 H SER 36 -11.011 -2.111 -17.422 246 HA SER 36 HA SER 36 -12.466 -0.571 -16.803 247 2HB SER 36 2HB SER 36 -14.542 -0.134 -17.902 248 HG SER 36 HG SER 36 -12.346 -0.633 -19.382 249 H ARG 37 H ARG 37 -12.074 -1.999 -14.852 250 HA ARG 37 HA ARG 37 -14.290 -3.758 -14.290 251 2HB ARG 37 2HB ARG 37 -12.846 -4.257 -12.186 252 2HG ARG 37 2HG ARG 37 -10.909 -5.118 -14.001 253 2HD ARG 37 2HD ARG 37 -13.602 -6.262 -13.163 254 HE ARG 37 HE ARG 37 -11.681 -8.077 -14.440 255 1HH1 ARG 37 2HH2 ARG 37 -14.544 -6.054 -14.948 256 2HH1 ARG 37 1HH2 ARG 37 -15.058 -6.918 -16.358 257 2HH2 ARG 37 1HH ARG 37 -13.758 -8.775 -17.136 258 H ASN 38 H ASN 38 -12.778 -0.677 -13.301 259 HA ASN 38 HA ASN 38 -13.444 0.952 -12.036 260 2HB ASN 38 2HB ASN 38 -16.018 0.884 -11.321 261 1HD2 ASN 38 1HD2 ASN 38 -16.574 -0.035 -14.436 262 2HD2 ASN 38 2HD2 ASN 38 -16.331 1.461 -15.276 263 H THR 39 H THR 39 -12.806 -1.982 -10.998 264 HA THR 39 HA THR 39 -14.127 -2.105 -8.457 265 HB THR 39 HB THR 39 -11.931 -3.634 -9.912 266 HG1 THR 39 1HG THR 39 -13.858 -4.614 -10.390 267 1HG2 THR 39 1HG2 THR 39 -11.196 -4.561 -7.959 268 2HG2 THR 39 2HG2 THR 39 -12.255 -3.469 -7.034 269 3HG2 THR 39 3HG2 THR 39 -12.867 -5.047 -7.585 270 H LEU 40 H LEU 40 -10.564 -2.168 -8.969 271 HA LEU 40 HA LEU 40 -9.925 -1.168 -6.524 272 2HB LEU 40 2HB LEU 40 -8.422 -2.191 -8.238 273 HG LEU 40 HG LEU 40 -8.516 0.591 -9.396 274 1HD1 LEU 40 1HD1 LEU 40 -6.176 0.082 -8.694 275 2HD1 LEU 40 2HD1 LEU 40 -6.216 -1.346 -9.758 276 3HD1 LEU 40 3HD1 LEU 40 -6.385 0.286 -10.449 277 1HD2 LEU 40 1HD2 LEU 40 -8.474 -0.674 -11.536 278 2HD2 LEU 40 2HD2 LEU 40 -8.541 -2.188 -10.602 279 3HD2 LEU 40 3HD2 LEU 40 -9.891 -1.031 -10.520 280 H ASP 41 H ASP 41 -11.223 0.531 -9.334 281 HA ASP 41 HA ASP 41 -10.390 3.080 -8.601 282 2HB ASP 41 2HB ASP 41 -12.996 2.420 -10.032 283 HD2 ASP 41 HD ASP 41 -13.480 5.204 -11.133 284 H PHE 42 H PHE 42 -13.612 1.388 -8.286 285 HA PHE 42 HA PHE 42 -14.923 3.305 -6.845 286 2HB PHE 42 2HB PHE 42 -14.937 0.267 -7.048 287 HD1 PHE 42 1HD PHE 42 -15.188 -0.746 -4.939 288 HD2 PHE 42 2HD PHE 42 -17.654 2.547 -5.977 289 HE1 PHE 42 1HE PHE 42 -16.601 -1.164 -2.907 290 HE2 PHE 42 2HE PHE 42 -19.067 2.130 -3.945 291 HZ PHE 42 HZ PHE 42 -18.523 0.280 -2.434 292 H VAL 43 H VAL 43 -12.464 0.962 -5.773 293 HA VAL 43 HA VAL 43 -13.017 1.479 -2.990 294 HB VAL 43 HB VAL 43 -11.548 -0.439 -4.598 295 1HG1 VAL 43 1HG1 VAL 43 -9.827 -0.851 -2.729 296 2HG1 VAL 43 2HG1 VAL 43 -9.508 0.476 -3.871 297 3HG1 VAL 43 3HG1 VAL 43 -10.140 0.833 -2.246 298 1HG2 VAL 43 1HG2 VAL 43 -12.706 -1.802 -3.266 299 2HG2 VAL 43 2HG2 VAL 43 -11.869 -1.171 -1.827 300 3HG2 VAL 43 3HG2 VAL 43 -13.347 -0.376 -2.416 301 H LYS 44 H LYS 44 -11.025 2.735 -5.602 302 HA LYS 44 HA LYS 44 -8.983 3.844 -4.028 303 2HB LYS 44 2HB LYS 44 -9.448 3.528 -6.700 304 2HG LYS 44 2HG LYS 44 -9.564 6.521 -6.104 305 2HD LYS 44 2HD LYS 44 -10.079 5.377 -8.820 306 2HE LYS 44 2HE LYS 44 -8.461 7.757 -7.788 307 1HZ LYS 44 1HZ LYS 44 -9.405 7.910 -10.456 308 2HZ LYS 44 2HZ LYS 44 -7.871 8.034 -9.924 309 H SER 45 H SER 45 -12.162 5.105 -5.194 310 HA SER 45 HA SER 45 -11.849 7.668 -4.290 311 2HB SER 45 2HB SER 45 -14.456 6.091 -4.252 312 HG SER 45 HG SER 45 -13.735 8.837 -4.277 313 H LEU 46 H LEU 46 -12.182 4.689 -2.516 314 HA LEU 46 HA LEU 46 -13.259 5.944 -0.156 315 2HB LEU 46 2HB LEU 46 -12.485 3.508 0.667 316 HG LEU 46 HG LEU 46 -14.906 3.737 -1.125 317 1HD1 LEU 46 1HD1 LEU 46 -15.176 2.293 1.391 318 2HD1 LEU 46 2HD1 LEU 46 -15.541 1.780 -0.274 319 3HD1 LEU 46 3HD1 LEU 46 -13.885 1.626 0.361 320 1HD2 LEU 46 1HD2 LEU 46 -14.355 5.084 1.464 321 2HD2 LEU 46 2HD2 LEU 46 -15.426 5.554 0.122 322 3HD2 LEU 46 3HD2 LEU 46 -15.947 4.309 1.282 323 H LYS 47 H LYS 47 -10.422 6.370 -1.654 324 HA LYS 47 HA LYS 47 -8.429 5.667 0.098 325 2HB LYS 47 2HB LYS 47 -7.437 7.951 -0.870 326 2HG LYS 47 2HG LYS 47 -7.161 6.585 -3.110 327 2HD LYS 47 2HD LYS 47 -5.919 6.431 -0.541 328 2HE LYS 47 2HE LYS 47 -5.411 3.764 -1.663 329 1HZ LYS 47 1HZ LYS 47 -5.187 3.295 0.561 330 2HZ LYS 47 2HZ LYS 47 -5.002 4.909 0.676 331 H SER 48 H SER 48 -10.462 8.671 0.067 332 HA SER 48 HA SER 48 -10.774 10.216 1.569 333 2HB SER 48 2HB SER 48 -10.479 8.600 3.997 334 HG SER 48 HG SER 48 -12.425 10.133 2.654 335 HA PRO 49 HA PRO 49 -7.160 11.544 3.634 336 2HB PRO 49 2HB PRO 49 -8.125 13.417 4.564 337 2HG PRO 49 2HG PRO 49 -10.385 13.230 4.979 338 2HD PRO 49 2HD PRO 49 -10.946 11.597 3.460 339 H VAL 50 H VAL 50 -5.337 10.658 4.403 340 HA VAL 50 HA VAL 50 -5.606 9.060 6.800 341 HB VAL 50 HB VAL 50 -4.707 7.910 4.151 342 1HG1 VAL 50 1HG1 VAL 50 -4.441 5.784 5.522 343 2HG1 VAL 50 2HG1 VAL 50 -3.211 7.045 5.783 344 3HG1 VAL 50 3HG1 VAL 50 -4.517 6.816 6.970 345 1HG2 VAL 50 1HG2 VAL 50 -7.099 7.407 5.934 346 2HG2 VAL 50 2HG2 VAL 50 -7.065 7.830 4.204 347 3HG2 VAL 50 3HG2 VAL 50 -6.539 6.214 4.737 348 H ARG 51 H ARG 51 -3.410 8.422 7.641 349 HA ARG 51 HA ARG 51 -1.219 9.776 6.421 350 2HB ARG 51 2HB ARG 51 -1.712 11.698 7.640 351 2HG ARG 51 2HG ARG 51 -2.592 11.196 10.185 352 2HD ARG 51 2HD ARG 51 -4.568 11.091 7.881 353 HE ARG 51 HE ARG 51 -4.599 12.088 10.662 354 1HH1 ARG 51 2HH2 ARG 51 -6.240 12.032 7.523 355 2HH1 ARG 51 1HH2 ARG 51 -7.773 12.505 8.176 356 2HH2 ARG 51 1HH ARG 51 -7.974 12.899 10.532 357 H ILE 52 H ILE 52 0.782 8.829 7.058 358 HA ILE 52 HA ILE 52 0.970 7.268 9.429 359 HB ILE 52 HB ILE 52 1.611 5.310 7.553 360 2HG1 ILE 52 2HG1 ILE 52 0.227 6.680 5.932 361 1HG2 ILE 52 1HG2 ILE 52 0.383 4.007 8.921 362 2HG2 ILE 52 2HG2 ILE 52 0.379 5.458 9.953 363 3HG2 ILE 52 3HG2 ILE 52 -1.016 5.110 8.902 364 1HD1 ILE 52 1HD1 ILE 52 0.406 4.485 5.191 365 2HD1 ILE 52 2HD1 ILE 52 -0.259 3.811 6.698 366 3HD1 ILE 52 3HD1 ILE 52 -1.347 4.547 5.498 367 H LEU 53 H LEU 53 3.167 6.680 9.877 368 HA LEU 53 HA LEU 53 5.029 8.186 8.207 369 2HB LEU 53 2HB LEU 53 5.021 7.276 11.066 370 HG LEU 53 HG LEU 53 7.411 7.923 9.405 371 1HD1 LEU 53 1HD1 LEU 53 6.655 9.473 11.764 372 2HD1 LEU 53 2HD1 LEU 53 8.240 8.678 11.929 373 3HD1 LEU 53 3HD1 LEU 53 7.927 9.763 10.552 374 1HD2 LEU 53 1HD2 LEU 53 7.100 6.411 12.013 375 2HD2 LEU 53 2HD2 LEU 53 7.022 5.682 10.391 376 3HD2 LEU 53 3HD2 LEU 53 8.529 6.446 10.950 377 H CYS 54 H CYS 54 7.012 7.238 7.461 378 HA CYS 54 HA CYS 54 6.872 4.311 7.400 379 2HB CYS 54 2HB CYS 54 8.113 6.002 5.220 380 HG CYS 54 HG CYS 54 8.627 3.264 5.884 381 H ARG 55 H ARG 55 8.823 3.204 7.869 382 HA ARG 55 HA ARG 55 10.991 4.974 8.673 383 2HB ARG 55 2HB ARG 55 11.591 2.743 10.063 384 2HG ARG 55 2HG ARG 55 9.459 3.814 11.599 385 2HD ARG 55 2HD ARG 55 11.681 5.413 12.159 386 HE ARG 55 HE ARG 55 11.806 2.776 13.365 387 1HH1 ARG 55 2HH2 ARG 55 9.821 5.707 13.209 388 2HH1 ARG 55 1HH2 ARG 55 9.093 5.447 14.759 389 2HH2 ARG 55 1HH ARG 55 9.711 3.515 16.036 390 H ARG 56 H ARG 56 13.089 3.171 8.948 391 HA ARG 56 HA ARG 56 13.972 2.873 6.406 392 2HB ARG 56 2HB ARG 56 15.378 0.893 7.744 393 2HG ARG 56 2HG ARG 56 16.032 3.686 8.583 394 2HD ARG 56 2HD ARG 56 18.019 2.635 6.894 395 HE ARG 56 HE ARG 56 18.941 3.346 8.923 396 1HH1 ARG 56 2HH2 ARG 56 16.456 0.911 9.598 397 2HH1 ARG 56 1HH2 ARG 56 16.828 0.822 11.287 398 2HH2 ARG 56 1HH ARG 56 18.580 2.191 12.179 399 H GLY 57 H GLY 57 14.117 1.094 4.911 400 1HA GLY 57 1HA GLY 57 11.936 -0.543 4.619 401 2HA GLY 57 2HA GLY 57 13.512 -0.826 3.906 402 H ASP 58 H ASP 58 14.623 -0.865 6.857 403 HA ASP 58 HA ASP 58 14.636 -3.636 7.053 404 2HB ASP 58 2HB ASP 58 15.250 -2.504 9.611 405 HD2 ASP 58 HD ASP 58 16.127 -4.949 8.108 406 H THR 59 H THR 59 13.635 -1.380 9.720 407 HA THR 59 HA THR 59 11.841 -3.277 10.823 408 HB THR 59 HB THR 59 13.220 -1.051 11.702 409 HG1 THR 59 1HG THR 59 10.690 -2.142 12.713 410 1HG2 THR 59 1HG2 THR 59 11.465 0.477 10.666 411 2HG2 THR 59 2HG2 THR 59 10.242 -0.336 11.671 412 3HG2 THR 59 3HG2 THR 59 11.550 0.594 12.440 413 H LEU 60 H LEU 60 11.577 -1.568 7.986 414 HA LEU 60 HA LEU 60 9.127 -0.376 8.013 415 2HB LEU 60 2HB LEU 60 10.415 -2.028 5.837 416 HG LEU 60 HG LEU 60 7.867 -1.114 5.657 417 1HD1 LEU 60 1HD1 LEU 60 8.091 0.984 4.181 418 2HD1 LEU 60 2HD1 LEU 60 8.185 1.178 5.948 419 3HD1 LEU 60 3HD1 LEU 60 9.672 1.197 4.970 420 1HD2 LEU 60 1HD2 LEU 60 10.047 -1.537 3.653 421 2HD2 LEU 60 2HD2 LEU 60 8.552 -2.461 3.936 422 3HD2 LEU 60 3HD2 LEU 60 8.484 -0.889 3.104 423 H ASP 61 H ASP 61 9.926 -3.878 7.818 424 HA ASP 61 HA ASP 61 7.429 -4.795 7.207 425 2HB ASP 61 2HB ASP 61 9.454 -6.214 7.292 426 HD2 ASP 61 HD ASP 61 10.504 -7.382 10.673 427 H GLU 62 H GLU 62 9.004 -4.199 10.435 428 HA GLU 62 HA GLU 62 6.699 -4.934 11.874 429 2HB GLU 62 2HB GLU 62 8.669 -3.129 13.189 430 2HG GLU 62 2HG GLU 62 8.652 -5.742 14.299 431 HE2 GLU 62 HE GLU 62 6.543 -2.786 16.016 432 H ILE 63 H ILE 63 8.131 -1.828 10.745 433 HA ILE 63 HA ILE 63 6.457 -0.118 12.151 434 HB ILE 63 HB ILE 63 8.549 0.098 10.385 435 2HG1 ILE 63 2HG1 ILE 63 8.117 2.627 10.735 436 1HG2 ILE 63 1HG2 ILE 63 7.675 1.753 8.679 437 2HG2 ILE 63 2HG2 ILE 63 7.265 0.044 8.398 438 3HG2 ILE 63 3HG2 ILE 63 6.044 1.155 9.064 439 1HD1 ILE 63 1HD1 ILE 63 6.291 1.771 12.946 440 2HD1 ILE 63 2HD1 ILE 63 6.346 3.305 12.045 441 3HD1 ILE 63 3HD1 ILE 63 5.570 1.875 11.322 442 H ILE 64 H ILE 64 5.960 -2.031 9.180 443 HA ILE 64 HA ILE 64 3.662 -0.698 8.305 444 HB ILE 64 HB ILE 64 5.102 -3.186 7.738 445 2HG1 ILE 64 2HG1 ILE 64 3.531 -1.547 5.772 446 1HG2 ILE 64 1HG2 ILE 64 3.223 -4.201 6.479 447 2HG2 ILE 64 2HG2 ILE 64 2.984 -4.221 8.243 448 3HG2 ILE 64 3HG2 ILE 64 2.118 -3.032 7.241 449 1HD1 ILE 64 1HD1 ILE 64 6.023 -0.382 5.778 450 2HD1 ILE 64 2HD1 ILE 64 4.589 0.323 6.563 451 3HD1 ILE 64 3HD1 ILE 64 5.752 -0.624 7.521 452 H LYS 65 H LYS 65 4.224 -3.310 10.697 453 HA LYS 65 HA LYS 65 1.510 -3.966 11.025 454 2HB LYS 65 2HB LYS 65 3.137 -4.384 13.399 455 2HG LYS 65 2HG LYS 65 2.568 -6.639 11.562 456 2HD LYS 65 2HD LYS 65 1.612 -5.959 14.383 457 2HE LYS 65 2HE LYS 65 1.633 -8.635 14.334 458 1HZ LYS 65 1HZ LYS 65 -0.687 -8.516 13.991 459 2HZ LYS 65 2HZ LYS 65 -0.328 -7.041 14.578 460 H ARG 66 H ARG 66 3.709 -1.597 12.618 461 HA ARG 66 HA ARG 66 1.794 -0.846 14.514 462 2HB ARG 66 2HB ARG 66 3.353 1.203 14.756 463 2HG ARG 66 2HG ARG 66 5.427 -0.543 15.149 464 2HD ARG 66 2HD ARG 66 3.218 0.516 16.706 465 HE ARG 66 HE ARG 66 3.290 -2.310 16.860 466 1HH1 ARG 66 2HH2 ARG 66 3.584 0.435 19.080 467 2HH1 ARG 66 1HH2 ARG 66 2.967 -0.441 20.442 468 2HH2 ARG 66 1HH ARG 66 2.322 -2.732 20.168 469 H LEU 67 H LEU 67 2.640 0.206 11.203 470 HA LEU 67 HA LEU 67 1.186 2.626 11.275 471 2HB LEU 67 2HB LEU 67 1.332 2.289 8.722 472 HG LEU 67 HG LEU 67 3.873 2.378 10.371 473 1HD1 LEU 67 1HD1 LEU 67 5.122 2.827 8.515 474 2HD1 LEU 67 2HD1 LEU 67 3.923 1.722 7.802 475 3HD1 LEU 67 3HD1 LEU 67 3.743 3.481 7.600 476 1HD2 LEU 67 1HD2 LEU 67 1.851 4.203 10.344 477 2HD2 LEU 67 2HD2 LEU 67 3.560 4.580 10.666 478 3HD2 LEU 67 3HD2 LEU 67 2.889 4.813 9.033 479 H LEU 68 H LEU 68 0.424 -0.753 10.266 480 HA LEU 68 HA LEU 68 -2.007 -0.357 9.112 481 2HB LEU 68 2HB LEU 68 -0.527 -2.484 9.672 482 HG LEU 68 HG LEU 68 -1.466 -2.418 12.124 483 1HD1 LEU 68 1HD1 LEU 68 -3.533 -3.917 12.249 484 2HD1 LEU 68 2HD1 LEU 68 -3.780 -2.215 11.790 485 3HD1 LEU 68 3HD1 LEU 68 -3.805 -3.485 10.543 486 1HD2 LEU 68 1HD2 LEU 68 -0.526 -4.456 10.387 487 2HD2 LEU 68 2HD2 LEU 68 -0.442 -4.383 12.164 488 3HD2 LEU 68 3HD2 LEU 68 -1.836 -5.154 11.369 489 H GLU 69 H GLU 69 -1.216 -0.541 12.629 490 HA GLU 69 HA GLU 69 -3.796 -0.495 13.548 491 2HB GLU 69 2HB GLU 69 -2.850 0.219 15.673 492 2HG GLU 69 2HG GLU 69 -0.397 -1.121 15.058 493 HE2 GLU 69 HE GLU 69 -0.963 -3.620 15.922 494 H GLU 70 H GLU 70 -1.890 2.014 12.011 495 HA GLU 70 HA GLU 70 -3.648 4.071 13.016 496 2HB GLU 70 2HB GLU 70 -2.110 5.643 11.955 497 2HG GLU 70 2HG GLU 70 0.165 4.487 12.844 498 HE2 GLU 70 HE GLU 70 -2.986 5.753 14.216 499 H SER 71 H SER 71 -2.769 2.346 9.985 500 HA SER 71 HA SER 71 -4.719 3.899 8.545 501 2HB SER 71 2HB SER 71 -3.917 2.355 6.617 502 HG SER 71 HG SER 71 -3.048 4.590 7.235 503 H ASN 72 H ASN 72 -3.965 0.350 8.924 504 HA ASN 72 HA ASN 72 -6.136 -0.734 7.920 505 2HB ASN 72 2HB ASN 72 -5.521 -1.824 10.635 506 1HD2 ASN 72 1HD2 ASN 72 -5.803 -3.947 10.621 507 2HD2 ASN 72 2HD2 ASN 72 -6.071 -4.936 9.224 508 H LYS 73 H LYS 73 -5.874 1.091 10.982 509 HA LYS 73 HA LYS 73 -8.227 0.319 12.211 510 2HB LYS 73 2HB LYS 73 -7.744 3.093 12.706 511 2HG LYS 73 2HG LYS 73 -6.487 1.660 14.720 512 2HD LYS 73 2HD LYS 73 -9.096 2.874 14.230 513 2HE LYS 73 2HE LYS 73 -10.275 1.629 16.096 514 1HZ LYS 73 1HZ LYS 73 -10.480 -0.497 14.578 515 2HZ LYS 73 2HZ LYS 73 -11.097 0.925 14.076 516 H GLU 74 H GLU 74 -7.616 3.011 9.859 517 HA GLU 74 HA GLU 74 -10.474 3.383 9.694 518 2HB GLU 74 2HB GLU 74 -8.842 5.326 9.879 519 2HG GLU 74 2HG GLU 74 -7.274 4.167 8.093 520 HE2 GLU 74 HE GLU 74 -9.515 6.494 6.842 521 H GLY 75 H GLY 75 -8.485 1.143 8.477 522 1HA GLY 75 1HA GLY 75 -9.710 1.215 5.784 523 2HA GLY 75 2HA GLY 75 -8.085 0.642 6.098 524 H ILE 76 H ILE 76 -9.163 -1.309 4.920 525 HA ILE 76 HA ILE 76 -10.800 -2.894 6.727 526 HB ILE 76 HB ILE 76 -11.475 -2.639 4.393 527 2HG1 ILE 76 2HG1 ILE 76 -10.717 -5.396 5.369 528 1HG2 ILE 76 1HG2 ILE 76 -8.779 -2.884 3.805 529 2HG2 ILE 76 2HG2 ILE 76 -9.476 -4.420 3.237 530 3HG2 ILE 76 3HG2 ILE 76 -10.123 -2.874 2.638 531 1HD1 ILE 76 1HD1 ILE 76 -12.549 -3.807 6.422 532 2HD1 ILE 76 2HD1 ILE 76 -13.489 -4.247 4.976 533 3HD1 ILE 76 3HD1 ILE 76 -12.947 -5.514 6.104 534 H HIS 77 H HIS 77 -10.204 -5.134 7.245 535 HA HIS 77 HA HIS 77 -7.782 -5.368 8.405 536 2HB HIS 77 2HB HIS 77 -8.867 -7.879 7.259 537 HD1 HIS 77 1HD HIS 77 -7.340 -9.386 8.567 538 HD2 HIS 77 2HD HIS 77 -8.976 -6.331 10.931 539 HE1 HIS 77 1HE HIS 77 -6.612 -9.870 10.963 540 H VAL 78 H VAL 78 -5.910 -4.777 7.349 541 HA VAL 78 HA VAL 78 -5.188 -6.477 5.079 542 HB VAL 78 HB VAL 78 -5.252 -3.486 5.226 543 1HG1 VAL 78 1HG1 VAL 78 -3.265 -5.151 3.657 544 2HG1 VAL 78 2HG1 VAL 78 -3.700 -3.481 3.216 545 3HG1 VAL 78 3HG1 VAL 78 -2.937 -3.816 4.788 546 1HG2 VAL 78 1HG2 VAL 78 -6.970 -5.022 4.036 547 2HG2 VAL 78 2HG2 VAL 78 -6.337 -3.608 3.160 548 3HG2 VAL 78 3HG2 VAL 78 -5.700 -5.232 2.807 549 H ILE 79 H ILE 79 -3.000 -7.083 5.029 550 HA ILE 79 HA ILE 79 -1.386 -6.047 7.248 551 HB ILE 79 HB ILE 79 -0.470 -8.384 7.447 552 2HG1 ILE 79 2HG1 ILE 79 -1.784 -8.946 5.167 553 1HG2 ILE 79 1HG2 ILE 79 -3.274 -7.634 8.254 554 2HG2 ILE 79 2HG2 ILE 79 -2.541 -9.180 8.747 555 3HG2 ILE 79 3HG2 ILE 79 -1.783 -7.643 9.227 556 1HD1 ILE 79 1HD1 ILE 79 -1.857 -11.392 6.567 557 2HD1 ILE 79 2HD1 ILE 79 -0.499 -10.762 5.605 558 3HD1 ILE 79 3HD1 ILE 79 -0.565 -10.457 7.358 559 H HIS 80 H HIS 80 -1.446 -5.040 4.571 560 HA HIS 80 HA HIS 80 0.792 -6.293 3.244 561 2HB HIS 80 2HB HIS 80 0.353 -4.480 1.537 562 HD1 HIS 80 1HD HIS 80 -0.880 -5.410 -0.470 563 HD2 HIS 80 2HD HIS 80 -2.270 -6.983 3.162 564 HE1 HIS 80 1HE HIS 80 -2.503 -7.285 -1.076 565 H ASP 81 H ASP 81 2.615 -4.812 2.434 566 HA ASP 81 HA ASP 81 3.426 -3.218 4.714 567 2HB ASP 81 2HB ASP 81 5.227 -4.601 4.311 568 HD2 ASP 81 HD ASP 81 4.579 -6.852 1.724 569 H SER 82 H SER 82 4.884 -1.214 4.022 570 HA SER 82 HA SER 82 3.298 0.462 2.486 571 2HB SER 82 2HB SER 82 6.054 1.397 2.646 572 HG SER 82 HG SER 82 3.738 2.462 2.919 573 H ILE 83 H ILE 83 6.004 -1.696 1.712 574 HA ILE 83 HA ILE 83 6.743 -0.500 -0.723 575 HB ILE 83 HB ILE 83 7.002 -3.407 0.029 576 2HG1 ILE 83 2HG1 ILE 83 7.829 -2.390 1.952 577 1HG2 ILE 83 1HG2 ILE 83 9.047 -1.806 -1.462 578 2HG2 ILE 83 2HG2 ILE 83 8.690 -3.549 -1.521 579 3HG2 ILE 83 3HG2 ILE 83 7.598 -2.390 -2.318 580 1HD1 ILE 83 1HD1 ILE 83 10.041 -3.024 1.918 581 2HD1 ILE 83 2HD1 ILE 83 9.606 -3.651 0.310 582 3HD1 ILE 83 3HD1 ILE 83 10.399 -2.064 0.462 583 H THR 84 H THR 84 4.293 -2.962 0.205 584 HA THR 84 HA THR 84 3.557 -3.421 -2.540 585 HB THR 84 HB THR 84 2.913 -4.463 0.190 586 HG1 THR 84 1HG THR 84 4.049 -5.895 -1.087 587 1HG2 THR 84 1HG2 THR 84 0.945 -5.740 -1.007 588 2HG2 THR 84 2HG2 THR 84 0.612 -4.122 -0.344 589 3HG2 THR 84 3HG2 THR 84 0.899 -4.327 -2.089 590 H LEU 85 H LEU 85 2.532 -1.327 0.143 591 HA LEU 85 HA LEU 85 0.011 -0.674 -0.818 592 2HB LEU 85 2HB LEU 85 0.740 1.587 0.423 593 HG LEU 85 HG LEU 85 -0.919 0.511 1.578 594 1HD1 LEU 85 1HD1 LEU 85 0.686 -1.950 1.082 595 2HD1 LEU 85 2HD1 LEU 85 -0.405 -1.940 2.487 596 3HD1 LEU 85 3HD1 LEU 85 -1.052 -1.642 0.856 597 1HD2 LEU 85 1HD2 LEU 85 0.839 -0.572 3.609 598 2HD2 LEU 85 2HD2 LEU 85 1.428 1.000 3.017 599 3HD2 LEU 85 3HD2 LEU 85 -0.226 0.854 3.660 600 H ALA 86 H ALA 86 3.280 0.466 -1.724 601 HA ALA 86 HA ALA 86 2.433 2.670 -3.237 602 1HB ALA 86 1HB ALA 86 4.907 0.911 -3.229 603 2HB ALA 86 2HB ALA 86 4.735 2.308 -4.319 604 3HB ALA 86 3HB ALA 86 4.711 2.547 -2.555 605 H PHE 87 H PHE 87 3.039 -0.801 -4.047 606 HA PHE 87 HA PHE 87 2.484 -0.430 -6.799 607 2HB PHE 87 2HB PHE 87 2.096 -3.039 -5.285 608 HD1 PHE 87 1HD PHE 87 1.044 -3.245 -7.709 609 HD2 PHE 87 2HD PHE 87 5.196 -2.902 -6.904 610 HE1 PHE 87 1HE PHE 87 1.562 -4.283 -9.935 611 HE2 PHE 87 2HE PHE 87 5.714 -3.940 -9.129 612 HZ PHE 87 HZ PHE 87 3.890 -4.618 -10.618 613 H LEU 88 H LEU 88 0.615 -1.851 -4.026 614 HA LEU 88 HA LEU 88 -1.648 -2.498 -5.482 615 2HB LEU 88 2HB LEU 88 -2.608 -1.889 -2.996 616 HG LEU 88 HG LEU 88 -2.742 -4.127 -4.021 617 1HD1 LEU 88 1HD1 LEU 88 -0.442 -5.435 -3.125 618 2HD1 LEU 88 2HD1 LEU 88 -0.889 -5.067 -4.809 619 3HD1 LEU 88 3HD1 LEU 88 0.149 -3.945 -3.898 620 1HD2 LEU 88 1HD2 LEU 88 -2.225 -5.433 -1.860 621 2HD2 LEU 88 2HD2 LEU 88 -1.763 -3.852 -1.187 622 3HD2 LEU 88 3HD2 LEU 88 -3.416 -4.113 -1.791 623 H ILE 89 H ILE 89 -0.830 0.538 -3.676 624 HA ILE 89 HA ILE 89 -3.229 1.831 -4.350 625 HB ILE 89 HB ILE 89 -0.530 2.892 -3.513 626 2HG1 ILE 89 2HG1 ILE 89 -1.809 1.305 -1.972 627 1HG2 ILE 89 1HG2 ILE 89 -1.412 4.819 -4.343 628 2HG2 ILE 89 2HG2 ILE 89 -3.095 4.269 -4.155 629 3HG2 ILE 89 3HG2 ILE 89 -2.179 4.831 -2.736 630 1HD1 ILE 89 1HD1 ILE 89 -1.462 2.806 0.016 631 2HD1 ILE 89 2HD1 ILE 89 -0.073 2.795 -1.096 632 3HD1 ILE 89 3HD1 ILE 89 -1.207 4.168 -1.101 633 H ARG 90 H ARG 90 0.095 1.928 -5.794 634 HA ARG 90 HA ARG 90 -0.158 3.781 -7.631 635 2HB ARG 90 2HB ARG 90 0.981 1.716 -9.150 636 2HG ARG 90 2HG ARG 90 2.883 2.694 -7.177 637 2HD ARG 90 2HD ARG 90 2.827 4.154 -9.711 638 HE ARG 90 HE ARG 90 4.735 2.814 -8.093 639 1HH1 ARG 90 2HH2 ARG 90 4.062 3.269 -11.543 640 2HH1 ARG 90 1HH2 ARG 90 5.721 3.105 -12.014 641 2HH2 ARG 90 1HH ARG 90 7.386 2.710 -10.336 642 H GLU 91 H GLU 91 -1.763 0.580 -7.666 643 HA GLU 91 HA GLU 91 -2.653 0.802 -10.330 644 2HB GLU 91 2HB GLU 91 -4.389 -0.972 -9.029 645 2HG GLU 91 2HG GLU 91 -2.586 -2.698 -9.781 646 HE2 GLU 91 HE GLU 91 -4.652 -3.041 -10.828 647 H LYS 92 H LYS 92 -4.103 1.453 -7.084 648 HA LYS 92 HA LYS 92 -6.527 2.410 -8.356 649 2HB LYS 92 2HB LYS 92 -6.310 0.965 -6.185 650 2HG LYS 92 2HG LYS 92 -6.560 3.493 -4.673 651 2HD LYS 92 2HD LYS 92 -4.976 2.200 -3.145 652 2HE LYS 92 2HE LYS 92 -7.597 0.993 -4.110 653 1HZ LYS 92 1HZ LYS 92 -5.708 -0.041 -2.105 654 2HZ LYS 92 2HZ LYS 92 -7.305 -0.203 -1.827 655 H ALA 93 H ALA 93 -3.479 3.606 -7.988 656 HA ALA 93 HA ALA 93 -4.240 6.240 -8.477 657 1HB ALA 93 1HB ALA 93 -4.003 7.353 -6.455 658 2HB ALA 93 2HB ALA 93 -4.757 5.837 -5.906 659 3HB ALA 93 3HB ALA 93 -2.999 6.067 -5.742 660 H SER 94 H SER 94 -2.717 5.703 -10.166 661 HA SER 94 HA SER 94 -0.119 4.883 -9.527 662 2HB SER 94 2HB SER 94 -0.846 4.381 -11.721 663 HG SER 94 HG SER 94 -2.449 5.666 -12.393 664 H HIS 95 H HIS 95 -1.705 7.800 -8.954 665 HA HIS 95 HA HIS 95 0.644 9.435 -9.462 666 2HB HIS 95 2HB HIS 95 -1.082 11.210 -8.513 667 HD1 HIS 95 1HD HIS 95 -0.683 8.990 -11.568 668 HD2 HIS 95 2HD HIS 95 -1.763 12.928 -10.605 669 HE1 HIS 95 1HE HIS 95 -0.786 10.265 -13.777 670 H ARG 96 H ARG 96 -1.755 9.367 -6.740 671 HA ARG 96 HA ARG 96 0.228 10.139 -4.928 672 2HB ARG 96 2HB ARG 96 -2.098 10.729 -4.506 673 2HG ARG 96 2HG ARG 96 -2.551 7.942 -5.244 674 2HD ARG 96 2HD ARG 96 -4.245 7.367 -3.579 675 HE ARG 96 HE ARG 96 -1.538 7.424 -2.915 676 1HH1 ARG 96 2HH2 ARG 96 -4.560 7.707 -1.086 677 2HH1 ARG 96 1HH2 ARG 96 -3.890 7.037 0.363 678 2HH2 ARG 96 1HH ARG 96 -1.591 6.359 0.390 679 H ILE 97 H ILE 97 1.916 8.740 -4.450 680 HA ILE 97 HA ILE 97 1.147 6.058 -3.564 681 HB ILE 97 HB ILE 97 3.624 6.526 -5.197 682 2HG1 ILE 97 2HG1 ILE 97 1.350 7.172 -6.356 683 1HG2 ILE 97 1HG2 ILE 97 1.976 4.049 -4.612 684 2HG2 ILE 97 2HG2 ILE 97 3.476 4.117 -5.569 685 3HG2 ILE 97 3HG2 ILE 97 3.511 4.497 -3.830 686 1HD1 ILE 97 1HD1 ILE 97 3.547 5.366 -7.428 687 2HD1 ILE 97 2HD1 ILE 97 2.232 5.954 -8.475 688 3HD1 ILE 97 3HD1 ILE 97 3.327 7.114 -7.684 689 H VAL 98 H VAL 98 2.817 5.069 -2.116 690 HA VAL 98 HA VAL 98 4.152 7.210 -0.614 691 HB VAL 98 HB VAL 98 2.490 6.224 0.720 692 1HG1 VAL 98 1HG1 VAL 98 3.357 3.663 -0.570 693 2HG1 VAL 98 2HG1 VAL 98 2.664 3.600 1.069 694 3HG1 VAL 98 3HG1 VAL 98 1.721 4.299 -0.270 695 1HG2 VAL 98 1HG2 VAL 98 4.378 4.460 1.967 696 2HG2 VAL 98 2HG2 VAL 98 5.248 5.882 1.340 697 3HG2 VAL 98 3HG2 VAL 98 3.880 6.097 2.459 698 H HIS 99 H HIS 99 6.349 7.200 -0.467 699 HA HIS 99 HA HIS 99 7.715 5.104 -1.895 700 2HB HIS 99 2HB HIS 99 9.617 6.844 -0.838 701 HD1 HIS 99 1HD HIS 99 10.473 8.573 -2.876 702 HD2 HIS 99 2HD HIS 99 7.852 5.457 -3.883 703 HE1 HIS 99 1HE HIS 99 10.682 8.250 -5.398 704 H ARG 100 H ARG 100 10.144 4.869 -0.585 705 HA ARG 100 HA ARG 100 9.815 4.458 2.159 706 2HB ARG 100 2HB ARG 100 9.701 2.003 0.344 707 2HG ARG 100 2HG ARG 100 9.583 0.965 2.851 708 2HD ARG 100 2HD ARG 100 11.859 0.190 2.538 709 HE ARG 100 HE ARG 100 10.053 0.012 0.453 710 1HH1 ARG 100 2HH2 ARG 100 13.581 0.317 0.585 711 2HH1 ARG 100 1HH2 ARG 100 13.834 -0.534 -0.902 712 2HH2 ARG 100 1HH ARG 100 11.943 -1.364 -2.117 713 H VAL 101 H VAL 101 11.870 4.981 2.834 714 HA VAL 101 HA VAL 101 14.093 4.014 1.170 715 HB VAL 101 HB VAL 101 13.839 6.414 1.031 716 1HG1 VAL 101 1HG1 VAL 101 14.453 7.561 3.418 717 2HG1 VAL 101 2HG1 VAL 101 12.795 7.355 2.803 718 3HG1 VAL 101 3HG1 VAL 101 13.467 6.182 3.961 719 1HG2 VAL 101 1HG2 VAL 101 16.178 5.889 2.881 720 2HG2 VAL 101 2HG2 VAL 101 16.130 5.301 1.202 721 3HG2 VAL 101 3HG2 VAL 101 16.067 7.048 1.534 722 H VAL 102 H VAL 102 15.981 3.238 2.280 723 HA VAL 102 HA VAL 102 15.393 2.500 5.064 724 HB VAL 102 HB VAL 102 17.344 1.015 3.359 725 1HG1 VAL 102 1HG1 VAL 102 15.527 -0.570 4.955 726 2HG1 VAL 102 2HG1 VAL 102 17.296 -0.417 5.069 727 3HG1 VAL 102 3HG1 VAL 102 16.247 0.726 5.940 728 1HG2 VAL 102 1HG2 VAL 102 14.375 1.071 2.966 729 2HG2 VAL 102 2HG2 VAL 102 15.683 0.867 1.777 730 3HG2 VAL 102 3HG2 VAL 102 15.222 -0.488 2.834 731 H LYS 103 H LYS 103 16.257 4.836 5.356 732 HA LYS 103 HA LYS 103 18.928 4.602 6.262 733 2HB LYS 103 2HB LYS 103 18.987 6.827 4.389 734 2HG LYS 103 2HG LYS 103 20.989 5.100 3.675 735 2HD LYS 103 2HD LYS 103 21.648 6.352 6.243 736 2HE LYS 103 2HE LYS 103 22.390 6.726 3.319 737 1HZ LYS 103 1HZ LYS 103 24.141 8.243 4.616 738 2HZ LYS 103 2HZ LYS 103 22.790 8.872 3.956 739 H SER 104 H SER 104 16.173 6.712 5.295 740 HA SER 104 HA SER 104 16.550 8.047 7.856 741 2HB SER 104 2HB SER 104 17.258 9.439 5.809 742 HG SER 104 HG SER 104 15.805 9.842 4.298 743 H ASP 105 H ASP 105 14.336 9.449 8.250 744 HA ASP 105 HA ASP 105 12.260 7.458 7.954 745 2HB ASP 105 2HB ASP 105 11.670 9.927 9.496 746 HD2 ASP 105 HD ASP 105 10.373 8.886 11.712 747 H PHE 106 H PHE 106 10.134 8.076 7.091 748 HA PHE 106 HA PHE 106 9.841 10.754 6.052 749 2HB PHE 106 2HB PHE 106 9.162 8.770 3.996 750 HD1 PHE 106 1HD PHE 106 8.908 11.696 4.162 751 HD2 PHE 106 2HD PHE 106 12.130 9.314 2.764 752 HE1 PHE 106 1HE PHE 106 9.653 13.576 2.675 753 HE2 PHE 106 2HE PHE 106 12.875 11.195 1.277 754 HZ PHE 106 HZ PHE 106 11.628 13.302 1.250 755 H GLU 107 H GLU 107 7.700 11.383 6.048 756 HA GLU 107 HA GLU 107 5.825 9.265 6.733 757 2HB GLU 107 2HB GLU 107 4.411 11.118 7.654 758 2HG GLU 107 2HG GLU 107 7.284 11.227 8.684 759 HE2 GLU 107 HE GLU 107 5.460 11.672 11.818 760 H ILE 108 H ILE 108 3.714 9.210 5.691 761 HA ILE 108 HA ILE 108 3.425 10.927 3.359 762 HB ILE 108 HB ILE 108 2.938 8.027 2.933 763 2HG1 ILE 108 2HG1 ILE 108 5.683 9.271 3.119 764 1HG2 ILE 108 1HG2 ILE 108 4.269 9.786 0.944 765 2HG2 ILE 108 2HG2 ILE 108 2.987 8.570 0.736 766 3HG2 ILE 108 3HG2 ILE 108 2.589 10.182 1.376 767 1HD1 ILE 108 1HD1 ILE 108 5.272 6.453 3.840 768 2HD1 ILE 108 2HD1 ILE 108 5.987 7.773 4.798 769 3HD1 ILE 108 3HD1 ILE 108 4.222 7.544 4.777 770 H GLY 109 H GLY 109 1.237 11.218 2.714 771 1HA GLY 109 1HA GLY 109 -0.875 9.725 3.939 772 2HA GLY 109 2HA GLY 109 -0.654 11.289 4.698 773 H VAL 110 H VAL 110 -3.055 10.868 3.455 774 HA VAL 110 HA VAL 110 -2.872 12.747 1.250 775 HB VAL 110 HB VAL 110 -3.096 9.995 0.796 776 1HG1 VAL 110 1HG1 VAL 110 -5.742 11.284 0.088 777 2HG1 VAL 110 2HG1 VAL 110 -5.273 9.572 -0.036 778 3HG1 VAL 110 3HG1 VAL 110 -5.510 10.315 1.563 779 1HG2 VAL 110 1HG2 VAL 110 -3.018 10.590 -1.450 780 2HG2 VAL 110 2HG2 VAL 110 -4.021 12.041 -1.210 781 3HG2 VAL 110 3HG2 VAL 110 -2.331 12.027 -0.655 782 H THR 111 H THR 111 -5.212 13.436 0.611 783 HA THR 111 HA THR 111 -6.813 13.494 3.085 784 HB THR 111 HB THR 111 -7.554 15.764 2.117 785 HG1 THR 111 1HG THR 111 -6.023 16.492 0.423 786 1HG2 THR 111 1HG2 THR 111 -5.405 16.948 2.633 787 2HG2 THR 111 2HG2 THR 111 -5.782 15.728 3.873 788 3HG2 THR 111 3HG2 THR 111 -4.556 15.383 2.629 789 H ARG 112 H ARG 112 -6.706 12.849 -0.382 790 HA ARG 112 HA ARG 112 -9.322 11.708 -0.105 791 2HB ARG 112 2HB ARG 112 -10.455 13.198 -1.411 792 2HG ARG 112 2HG ARG 112 -7.818 14.683 -1.089 793 2HD ARG 112 2HD ARG 112 -9.285 15.301 -3.218 794 HE ARG 112 HE ARG 112 -10.827 16.989 -1.347 795 1HH1 ARG 112 2HH2 ARG 112 -10.830 14.122 -3.428 796 2HH1 ARG 112 1HH2 ARG 112 -12.557 14.049 -3.537 797 2HH2 ARG 112 1HH ARG 112 -13.875 15.688 -2.389 798 H ASP 113 H ASP 113 -6.566 12.544 -2.313 799 HA ASP 113 HA ASP 113 -5.586 10.183 -2.800 800 2HB ASP 113 2HB ASP 113 -8.193 10.447 -4.285 801 HD2 ASP 113 HD ASP 113 -5.780 7.984 -4.769 802 H GLY 114 H GLY 114 -6.772 13.263 -3.970 803 1HA GLY 114 1HA GLY 114 -5.288 13.372 -6.416 804 2HA GLY 114 2HA GLY 114 -6.103 14.689 -5.595 805 H GLU 115 H GLU 115 -5.007 15.456 -3.455 806 HA GLU 115 HA GLU 115 -2.300 15.989 -4.134 807 2HB GLU 115 2HB GLU 115 -2.361 17.408 -2.057 808 2HG GLU 115 2HG GLU 115 -4.460 18.789 -2.838 809 HE2 GLU 115 HE GLU 115 -2.913 20.234 -2.964 810 H ILE 116 H ILE 116 -0.498 15.757 -2.455 811 HA ILE 116 HA ILE 116 -0.925 13.384 -0.791 812 HB ILE 116 HB ILE 116 1.501 12.815 -1.476 813 2HG1 ILE 116 2HG1 ILE 116 0.691 14.759 -3.624 814 1HG2 ILE 116 1HG2 ILE 116 -0.933 11.827 -2.160 815 2HG2 ILE 116 2HG2 ILE 116 -0.268 12.218 -3.764 816 3HG2 ILE 116 3HG2 ILE 116 0.620 11.128 -2.673 817 1HD1 ILE 116 1HD1 ILE 116 2.524 14.832 -1.532 818 2HD1 ILE 116 2HD1 ILE 116 3.524 14.320 -2.913 819 3HD1 ILE 116 3HD1 ILE 116 2.597 15.838 -2.999 820 H ILE 117 H ILE 117 0.656 13.213 1.010 821 HA ILE 117 HA ILE 117 1.890 15.794 1.637 822 HB ILE 117 HB ILE 117 1.118 15.413 4.013 823 2HG1 ILE 117 2HG1 ILE 117 0.376 12.980 3.355 824 1HG2 ILE 117 1HG2 ILE 117 -0.393 16.999 3.615 825 2HG2 ILE 117 2HG2 ILE 117 -0.010 16.787 1.889 826 3HG2 ILE 117 3HG2 ILE 117 -1.387 15.918 2.608 827 1HD1 ILE 117 1HD1 ILE 117 -1.384 13.091 5.169 828 2HD1 ILE 117 2HD1 ILE 117 0.165 13.839 5.626 829 3HD1 ILE 117 3HD1 ILE 117 -1.212 14.863 5.155 830 H VAL 118 H VAL 118 3.873 15.659 2.703 831 HA VAL 118 HA VAL 118 4.734 13.033 3.596 832 HB VAL 118 HB VAL 118 5.287 13.121 1.207 833 1HG1 VAL 118 1HG1 VAL 118 7.086 15.469 1.887 834 2HG1 VAL 118 2HG1 VAL 118 6.833 14.722 0.290 835 3HG1 VAL 118 3HG1 VAL 118 5.509 15.616 1.076 836 1HG2 VAL 118 1HG2 VAL 118 7.837 12.830 1.517 837 2HG2 VAL 118 2HG2 VAL 118 7.521 13.154 3.238 838 3HG2 VAL 118 3HG2 VAL 118 6.750 11.764 2.438 839 H ASP 119 H ASP 119 6.650 13.157 4.986 840 HA ASP 119 HA ASP 119 7.818 15.620 5.566 841 2HB ASP 119 2HB ASP 119 6.097 14.614 7.852 842 HD2 ASP 119 HD ASP 119 6.827 18.372 7.225 843 H LEU 120 H LEU 120 9.818 15.063 6.487 844 HA LEU 120 HA LEU 120 10.206 12.310 7.224 845 2HB LEU 120 2HB LEU 120 12.573 12.987 7.398 846 HG LEU 120 HG LEU 120 11.198 12.695 5.054 847 1HD1 LEU 120 1HD1 LEU 120 11.191 14.491 3.722 848 2HD1 LEU 120 2HD1 LEU 120 11.388 15.426 5.224 849 3HD1 LEU 120 3HD1 LEU 120 12.813 15.007 4.243 850 1HD2 LEU 120 1HD2 LEU 120 14.071 13.410 4.791 851 2HD2 LEU 120 2HD2 LEU 120 13.657 12.112 5.937 852 3HD2 LEU 120 3HD2 LEU 120 13.182 11.976 4.226 853 H ASN 121 H ASN 121 8.363 13.202 8.976 854 HA ASN 121 HA ASN 121 7.912 13.346 11.090 855 2HB ASN 121 2HB ASN 121 10.828 12.497 11.305 856 1HD2 ASN 121 1HD2 ASN 121 8.405 11.597 13.569 857 2HD2 ASN 121 2HD2 ASN 121 8.996 12.449 14.956 858 H SER 122 H SER 122 7.783 15.063 12.661 859 HA SER 122 HA SER 122 9.818 16.770 13.294 860 2HB SER 122 2HB SER 122 8.084 18.485 11.625 861 HG SER 122 HG SER 122 9.878 19.589 12.036 Start of MODEL 18 1 H MET 1 H MET 1 3.666 -1.527 -13.360 2 HA MET 1 HA MET 1 4.263 -3.240 -14.945 3 2HB MET 1 2HB MET 1 6.850 -2.748 -14.828 4 2HG MET 1 2HG MET 1 4.952 -0.355 -14.687 5 1HE MET 1 1HE MET 1 6.783 1.568 -17.401 6 2HE MET 1 2HE MET 1 5.257 1.161 -16.580 7 3HE MET 1 3HE MET 1 6.437 2.230 -15.785 8 H ARG 2 H ARG 2 6.891 -3.508 -12.490 9 HA ARG 2 HA ARG 2 6.155 -6.138 -11.796 10 2HB ARG 2 2HB ARG 2 8.854 -6.156 -13.093 11 2HG ARG 2 2HG ARG 2 7.279 -8.281 -14.027 12 2HD ARG 2 2HD ARG 2 8.454 -9.533 -12.057 13 HE ARG 2 HE ARG 2 9.591 -8.376 -14.435 14 1HH1 ARG 2 2HH2 ARG 2 10.565 -9.924 -11.400 15 2HH1 ARG 2 1HH2 ARG 2 12.057 -10.525 -12.043 16 2HH2 ARG 2 1HH ARG 2 12.621 -10.068 -14.327 17 H GLU 3 H GLU 3 8.911 -3.802 -12.166 18 HA GLU 3 HA GLU 3 10.568 -4.565 -10.259 19 2HB GLU 3 2HB GLU 3 10.874 -2.546 -11.652 20 2HG GLU 3 2HG GLU 3 9.343 -0.827 -9.748 21 HE2 GLU 3 HE GLU 3 8.680 1.245 -12.084 22 H ARG 4 H ARG 4 10.689 -4.708 -8.021 23 HA ARG 4 HA ARG 4 9.880 -4.997 -6.023 24 2HB ARG 4 2HB ARG 4 10.497 -2.574 -5.961 25 2HG ARG 4 2HG ARG 4 7.580 -2.248 -6.776 26 2HD ARG 4 2HD ARG 4 9.388 0.017 -5.849 27 HE ARG 4 HE ARG 4 6.942 0.062 -7.133 28 1HH1 ARG 4 2HH2 ARG 4 7.985 1.024 -3.886 29 2HH1 ARG 4 1HH2 ARG 4 6.780 2.258 -3.730 30 2HH2 ARG 4 1HH ARG 4 5.242 2.632 -5.530 31 H GLY 5 H GLY 5 7.610 -4.042 -4.585 32 1HA GLY 5 1HA GLY 5 5.241 -3.885 -4.811 33 2HA GLY 5 2HA GLY 5 5.318 -4.912 -6.229 34 H TRP 6 H TRP 6 3.809 -6.439 -5.331 35 HA TRP 6 HA TRP 6 4.723 -7.831 -2.929 36 2HB TRP 6 2HB TRP 6 2.556 -7.486 -2.487 37 HD1 TRP 6 HD TRP 6 1.721 -5.164 -3.645 38 HE1 TRP 6 1HE TRP 6 0.131 -4.565 -5.664 39 HE3 TRP 6 3HE TRP 6 1.718 -9.813 -5.705 40 HZ2 TRP 6 2HZ TRP 6 -0.924 -6.069 -7.848 41 HZ3 TRP 6 3HZ TRP 6 0.382 -10.162 -7.781 42 HH2 TRP 6 HH TRP 6 -0.909 -8.383 -8.849 43 H SER 7 H SER 7 6.530 -8.379 -4.779 44 HA SER 7 HA SER 7 5.583 -10.635 -6.324 45 2HB SER 7 2HB SER 7 8.434 -9.659 -6.409 46 HG SER 7 HG SER 7 6.657 -11.081 -8.026 47 H GLN 8 H GLN 8 8.257 -9.735 -4.026 48 HA GLN 8 HA GLN 8 7.958 -12.018 -2.511 49 2HB GLN 8 2HB GLN 8 8.821 -13.209 -4.511 50 2HG GLN 8 2HG GLN 8 11.573 -12.529 -4.452 51 1HE2 GLN 8 1HE2 GLN 8 10.449 -10.211 -6.409 52 2HE2 GLN 8 2HE2 GLN 8 10.130 -11.089 -7.866 53 H LYS 9 H LYS 9 8.159 -9.363 -1.869 54 HA LYS 9 HA LYS 9 10.792 -8.483 -1.411 55 2HB LYS 9 2HB LYS 9 9.252 -7.130 0.412 56 2HG LYS 9 2HG LYS 9 10.669 -6.217 -1.476 57 2HD LYS 9 2HD LYS 9 8.788 -5.782 -3.490 58 2HE LYS 9 2HE LYS 9 10.888 -7.999 -3.347 59 1HZ LYS 9 1HZ LYS 9 9.119 -7.220 -5.395 60 2HZ LYS 9 2HZ LYS 9 10.625 -6.808 -5.860 61 H LYS 10 H LYS 10 8.308 -9.546 1.025 62 HA LYS 10 HA LYS 10 10.142 -11.323 2.259 63 2HB LYS 10 2HB LYS 10 9.572 -8.738 3.739 64 2HG LYS 10 2HG LYS 10 11.616 -10.751 4.606 65 2HD LYS 10 2HD LYS 10 9.515 -9.163 6.151 66 2HE LYS 10 2HE LYS 10 11.823 -9.539 7.702 67 1HZ LYS 10 1HZ LYS 10 9.756 -11.534 8.019 68 2HZ LYS 10 2HZ LYS 10 10.274 -10.415 9.085 69 H ILE 11 H ILE 11 7.644 -9.173 3.742 70 HA ILE 11 HA ILE 11 6.220 -11.464 4.661 71 HB ILE 11 HB ILE 11 5.309 -8.592 4.699 72 2HG1 ILE 11 2HG1 ILE 11 7.523 -8.481 5.548 73 1HG2 ILE 11 1HG2 ILE 11 4.826 -10.563 6.891 74 2HG2 ILE 11 2HG2 ILE 11 3.833 -9.196 6.333 75 3HG2 ILE 11 3HG2 ILE 11 3.877 -10.705 5.392 76 1HD1 ILE 11 1HD1 ILE 11 5.909 -7.346 7.003 77 2HD1 ILE 11 2HD1 ILE 11 5.547 -8.874 7.842 78 3HD1 ILE 11 3HD1 ILE 11 7.152 -8.124 8.011 79 H ALA 12 H ALA 12 6.531 -10.187 1.622 80 HA ALA 12 HA ALA 12 4.082 -9.730 0.588 81 1HB ALA 12 1HB ALA 12 6.205 -11.500 -0.681 82 2HB ALA 12 2HB ALA 12 5.000 -10.493 -1.518 83 3HB ALA 12 3HB ALA 12 6.310 -9.726 -0.590 84 H ARG 13 H ARG 13 5.524 -12.906 1.484 85 HA ARG 13 HA ARG 13 3.638 -14.510 0.358 86 2HB ARG 13 2HB ARG 13 5.638 -15.468 1.342 87 2HG ARG 13 2HG ARG 13 4.665 -14.849 4.141 88 2HD ARG 13 2HD ARG 13 7.383 -15.360 2.842 89 HE ARG 13 HE ARG 13 7.093 -13.783 5.046 90 1HH1 ARG 13 2HH2 ARG 13 8.162 -17.148 4.733 91 2HH1 ARG 13 1HH2 ARG 13 9.184 -17.082 6.130 92 2HH2 ARG 13 1HH ARG 13 9.334 -15.044 7.381 93 H GLU 14 H GLU 14 3.731 -13.166 3.742 94 HA GLU 14 HA GLU 14 1.322 -14.247 4.528 95 2HB GLU 14 2HB GLU 14 1.851 -11.640 5.758 96 2HG GLU 14 2HG GLU 14 1.977 -14.555 6.641 97 HE2 GLU 14 HE GLU 14 1.194 -12.860 9.445 98 H LEU 15 H LEU 15 2.088 -11.459 2.502 99 HA LEU 15 HA LEU 15 -0.422 -10.166 2.826 100 2HB LEU 15 2HB LEU 15 1.257 -9.776 0.399 101 HG LEU 15 HG LEU 15 -0.378 -8.069 2.214 102 1HD1 LEU 15 1HD1 LEU 15 1.059 -6.144 0.936 103 2HD1 LEU 15 2HD1 LEU 15 1.329 -6.668 2.616 104 3HD1 LEU 15 3HD1 LEU 15 2.329 -7.335 1.304 105 1HD2 LEU 15 1HD2 LEU 15 -1.197 -7.135 0.217 106 2HD2 LEU 15 2HD2 LEU 15 0.186 -7.732 -0.733 107 3HD2 LEU 15 3HD2 LEU 15 -1.029 -8.876 -0.113 108 H LYS 16 H LYS 16 1.034 -12.288 0.267 109 HA LYS 16 HA LYS 16 -1.135 -12.337 -1.419 110 2HB LYS 16 2HB LYS 16 1.213 -14.082 -0.887 111 2HG LYS 16 2HG LYS 16 -1.369 -15.019 -2.115 112 2HD LYS 16 2HD LYS 16 1.377 -15.869 -3.150 113 2HE LYS 16 2HE LYS 16 -1.186 -17.164 -3.153 114 1HZ LYS 16 1HZ LYS 16 -1.980 -16.843 -5.219 115 2HZ LYS 16 2HZ LYS 16 -0.986 -15.564 -5.380 116 H THR 17 H THR 17 -0.562 -14.053 1.659 117 HA THR 17 HA THR 17 -2.627 -15.932 1.408 118 HB THR 17 HB THR 17 -1.187 -14.608 3.756 119 HG1 THR 17 1HG THR 17 0.128 -16.352 3.318 120 1HG2 THR 17 1HG2 THR 17 -2.158 -17.116 4.569 121 2HG2 THR 17 2HG2 THR 17 -2.781 -15.543 5.118 122 3HG2 THR 17 3HG2 THR 17 -3.557 -16.380 3.752 123 H THR 18 H THR 18 -2.658 -12.472 2.078 124 HA THR 18 HA THR 18 -5.376 -12.590 3.087 125 HB THR 18 HB THR 18 -3.404 -11.021 3.841 126 HG1 THR 18 1HG THR 18 -5.182 -9.278 3.934 127 1HG2 THR 18 1HG2 THR 18 -4.347 -8.879 2.144 128 2HG2 THR 18 2HG2 THR 18 -2.675 -9.456 2.346 129 3HG2 THR 18 3HG2 THR 18 -3.720 -10.175 1.097 130 H ARG 19 H ARG 19 -5.997 -9.958 1.743 131 HA ARG 19 HA ARG 19 -6.721 -9.179 -0.182 132 2HB ARG 19 2HB ARG 19 -6.354 -11.832 -1.620 133 2HG ARG 19 2HG ARG 19 -5.847 -8.989 -2.586 134 2HD ARG 19 2HD ARG 19 -4.925 -10.928 -3.922 135 HE ARG 19 HE ARG 19 -7.683 -11.754 -4.629 136 1HH1 ARG 19 2HH2 ARG 19 -4.696 -12.517 -2.882 137 2HH1 ARG 19 1HH2 ARG 19 -5.071 -14.201 -2.727 138 2HH2 ARG 19 1HH ARG 19 -7.123 -15.036 -3.641 139 H GLN 20 H GLN 20 -8.253 -10.477 1.903 140 HA GLN 20 HA GLN 20 -10.102 -12.266 0.803 141 2HB GLN 20 2HB GLN 20 -11.360 -11.026 2.989 142 2HG GLN 20 2HG GLN 20 -10.383 -12.994 4.271 143 1HE2 GLN 20 1HE2 GLN 20 -11.843 -14.539 4.375 144 2HE2 GLN 20 2HE2 GLN 20 -12.923 -15.032 3.114 145 H ASN 21 H ASN 21 -10.263 -10.730 -1.243 146 HA ASN 21 HA ASN 21 -11.584 -9.574 -2.517 147 2HB ASN 21 2HB ASN 21 -13.925 -9.351 -2.017 148 1HD2 ASN 21 1HD2 ASN 21 -15.375 -10.888 -0.389 149 2HD2 ASN 21 2HD2 ASN 21 -14.920 -12.558 -0.483 150 H VAL 22 H VAL 22 -9.685 -8.348 -0.473 151 HA VAL 22 HA VAL 22 -10.975 -5.764 -0.017 152 HB VAL 22 HB VAL 22 -9.990 -6.854 1.911 153 1HG1 VAL 22 1HG1 VAL 22 -8.164 -8.116 1.707 154 2HG1 VAL 22 2HG1 VAL 22 -7.883 -7.506 0.059 155 3HG1 VAL 22 3HG1 VAL 22 -7.204 -6.638 1.457 156 1HG2 VAL 22 1HG2 VAL 22 -9.306 -4.889 2.750 157 2HG2 VAL 22 2HG2 VAL 22 -7.944 -4.776 1.610 158 3HG2 VAL 22 3HG2 VAL 22 -9.567 -4.237 1.114 159 H SER 23 H SER 23 -10.910 -5.332 -2.389 160 HA SER 23 HA SER 23 -10.021 -3.908 -3.842 161 2HB SER 23 2HB SER 23 -7.193 -4.378 -2.865 162 HG SER 23 HG SER 23 -8.383 -2.706 -4.629 163 H ALA 24 H ALA 24 -8.177 -6.874 -2.955 164 HA ALA 24 HA ALA 24 -7.004 -8.290 -4.277 165 1HB ALA 24 1HB ALA 24 -8.543 -9.698 -5.456 166 2HB ALA 24 2HB ALA 24 -9.446 -8.999 -4.091 167 3HB ALA 24 3HB ALA 24 -9.670 -8.348 -5.733 168 H ILE 25 H ILE 25 -5.989 -5.960 -5.058 169 HA ILE 25 HA ILE 25 -6.546 -5.318 -7.767 170 HB ILE 25 HB ILE 25 -4.300 -4.582 -5.891 171 2HG1 ILE 25 2HG1 ILE 25 -6.647 -3.825 -5.350 172 1HG2 ILE 25 1HG2 ILE 25 -4.704 -4.003 -8.776 173 2HG2 ILE 25 2HG2 ILE 25 -4.208 -2.643 -7.742 174 3HG2 ILE 25 3HG2 ILE 25 -3.207 -4.114 -7.818 175 1HD1 ILE 25 1HD1 ILE 25 -5.139 -2.405 -4.319 176 2HD1 ILE 25 2HD1 ILE 25 -4.278 -2.050 -5.836 177 3HD1 ILE 25 3HD1 ILE 25 -5.832 -1.254 -5.487 178 H GLU 26 H GLU 26 -4.274 -7.474 -6.049 179 HA GLU 26 HA GLU 26 -2.631 -7.917 -8.267 180 2HB GLU 26 2HB GLU 26 -1.863 -8.398 -5.999 181 2HG GLU 26 2HG GLU 26 -3.648 -10.831 -5.849 182 HE2 GLU 26 HE GLU 26 -2.332 -9.029 -2.519 183 H ARG 27 H ARG 27 -5.476 -9.678 -6.886 184 HA ARG 27 HA ARG 27 -5.374 -11.785 -8.661 185 2HB ARG 27 2HB ARG 27 -7.662 -10.513 -7.095 186 2HG ARG 27 2HG ARG 27 -7.725 -12.664 -9.157 187 2HD ARG 27 2HD ARG 27 -8.300 -13.276 -6.354 188 HE ARG 27 HE ARG 27 -10.643 -12.665 -7.797 189 1HH1 ARG 27 2HH2 ARG 27 -9.299 -15.492 -6.135 190 2HH1 ARG 27 1HH2 ARG 27 -10.851 -16.153 -5.744 191 2HH2 ARG 27 1HH ARG 27 -12.831 -14.988 -6.427 192 H LYS 28 H LYS 28 -7.382 -8.748 -8.698 193 HA LYS 28 HA LYS 28 -8.659 -9.236 -11.106 194 2HB LYS 28 2HB LYS 28 -8.270 -6.437 -10.823 195 2HG LYS 28 2HG LYS 28 -10.356 -8.197 -11.180 196 2HD LYS 28 2HD LYS 28 -11.736 -7.212 -8.994 197 2HE LYS 28 2HE LYS 28 -10.338 -9.838 -8.603 198 1HZ LYS 28 1HZ LYS 28 -13.171 -9.808 -8.898 199 2HZ LYS 28 2HZ LYS 28 -12.294 -10.237 -7.596 200 H ALA 29 H ALA 29 -5.683 -7.247 -10.470 201 HA ALA 29 HA ALA 29 -5.090 -6.533 -13.012 202 1HB ALA 29 1HB ALA 29 -2.720 -6.506 -12.231 203 2HB ALA 29 2HB ALA 29 -3.841 -5.796 -11.044 204 3HB ALA 29 3HB ALA 29 -3.208 -7.442 -10.797 205 H MET 30 H MET 30 -3.811 -9.526 -11.378 206 HA MET 30 HA MET 30 -2.710 -10.565 -13.679 207 2HB MET 30 2HB MET 30 -3.425 -12.785 -12.116 208 2HG MET 30 2HG MET 30 -1.172 -11.343 -10.920 209 1HE MET 30 1HE MET 30 -0.631 -13.033 -9.572 210 2HE MET 30 2HE MET 30 0.010 -14.634 -10.009 211 3HE MET 30 3HE MET 30 0.918 -13.165 -10.438 212 H GLU 31 H GLU 31 -6.038 -10.280 -12.721 213 HA GLU 31 HA GLU 31 -6.912 -12.545 -14.211 214 2HB GLU 31 2HB GLU 31 -9.088 -10.757 -13.728 215 2HG GLU 31 2HG GLU 31 -9.761 -12.466 -12.106 216 HE2 GLU 31 HE GLU 31 -8.420 -15.221 -13.285 217 H ASN 32 H ASN 32 -5.302 -11.106 -15.913 218 HA ASN 32 HA ASN 32 -5.187 -10.000 -17.787 219 2HB ASN 32 2HB ASN 32 -7.347 -10.392 -19.321 220 1HD2 ASN 32 1HD2 ASN 32 -5.743 -10.949 -20.686 221 2HD2 ASN 32 2HD2 ASN 32 -4.913 -12.470 -20.679 222 H ILE 33 H ILE 33 -6.208 -8.439 -15.525 223 HA ILE 33 HA ILE 33 -8.502 -6.999 -16.058 224 HB ILE 33 HB ILE 33 -6.541 -7.071 -14.118 225 2HG1 ILE 33 2HG1 ILE 33 -8.782 -6.841 -13.493 226 1HG2 ILE 33 1HG2 ILE 33 -5.781 -4.795 -13.785 227 2HG2 ILE 33 2HG2 ILE 33 -5.228 -5.395 -15.367 228 3HG2 ILE 33 3HG2 ILE 33 -6.604 -4.270 -15.274 229 1HD1 ILE 33 1HD1 ILE 33 -7.726 -4.013 -13.089 230 2HD1 ILE 33 2HD1 ILE 33 -8.843 -4.922 -12.042 231 3HD1 ILE 33 3HD1 ILE 33 -7.133 -5.405 -12.150 232 H GLU 34 H GLU 34 -8.756 -4.754 -16.841 233 HA GLU 34 HA GLU 34 -6.740 -3.489 -18.255 234 2HB GLU 34 2HB GLU 34 -6.827 -5.196 -19.932 235 2HG GLU 34 2HG GLU 34 -9.792 -4.850 -20.374 236 HE2 GLU 34 HE GLU 34 -9.508 -7.864 -19.853 237 H LYS 35 H LYS 35 -8.817 -2.925 -16.315 238 HA LYS 35 HA LYS 35 -10.239 -1.301 -15.848 239 2HB LYS 35 2HB LYS 35 -10.531 0.596 -17.420 240 2HG LYS 35 2HG LYS 35 -7.619 0.121 -17.672 241 2HD LYS 35 2HD LYS 35 -8.956 2.356 -17.554 242 2HE LYS 35 2HE LYS 35 -9.776 1.247 -15.089 243 1HZ LYS 35 1HZ LYS 35 -7.644 3.262 -14.740 244 2HZ LYS 35 2HZ LYS 35 -8.846 3.144 -13.648 245 H SER 36 H SER 36 -11.800 -3.066 -15.672 246 HA SER 36 HA SER 36 -13.960 -2.603 -17.502 247 2HB SER 36 2HB SER 36 -14.308 -5.008 -17.984 248 HG SER 36 HG SER 36 -11.931 -5.272 -18.990 249 H ARG 37 H ARG 37 -12.657 -4.568 -14.746 250 HA ARG 37 HA ARG 37 -15.136 -5.123 -13.652 251 2HB ARG 37 2HB ARG 37 -13.781 -5.579 -11.536 252 2HG ARG 37 2HG ARG 37 -12.057 -7.134 -12.899 253 2HD ARG 37 2HD ARG 37 -14.586 -7.492 -11.818 254 HE ARG 37 HE ARG 37 -15.007 -7.457 -14.636 255 1HH1 ARG 37 2HH2 ARG 37 -15.666 -9.571 -11.869 256 2HH1 ARG 37 1HH2 ARG 37 -17.072 -10.281 -12.588 257 2HH2 ARG 37 1HH ARG 37 -17.758 -9.574 -14.773 258 H ASN 38 H ASN 38 -12.832 -2.395 -13.260 259 HA ASN 38 HA ASN 38 -13.024 -0.427 -12.372 260 2HB ASN 38 2HB ASN 38 -15.564 0.267 -11.733 261 1HD2 ASN 38 1HD2 ASN 38 -14.942 -1.305 -14.845 262 2HD2 ASN 38 2HD2 ASN 38 -14.751 0.133 -15.794 263 H THR 39 H THR 39 -12.582 -2.786 -10.675 264 HA THR 39 HA THR 39 -14.166 -2.520 -8.304 265 HB THR 39 HB THR 39 -11.551 -4.001 -8.905 266 HG1 THR 39 1HG THR 39 -13.001 -5.530 -9.685 267 1HG2 THR 39 1HG2 THR 39 -12.526 -3.627 -6.401 268 2HG2 THR 39 2HG2 THR 39 -13.624 -4.927 -6.922 269 3HG2 THR 39 3HG2 THR 39 -11.865 -5.196 -6.920 270 H LEU 40 H LEU 40 -10.575 -2.392 -8.396 271 HA LEU 40 HA LEU 40 -10.313 -0.848 -6.171 272 2HB LEU 40 2HB LEU 40 -8.599 -2.103 -7.658 273 HG LEU 40 HG LEU 40 -7.144 -0.810 -8.994 274 1HD1 LEU 40 1HD1 LEU 40 -9.748 -1.334 -9.775 275 2HD1 LEU 40 2HD1 LEU 40 -9.492 0.354 -10.278 276 3HD1 LEU 40 3HD1 LEU 40 -8.385 -0.920 -10.841 277 1HD2 LEU 40 1HD2 LEU 40 -8.322 1.726 -9.320 278 2HD2 LEU 40 2HD2 LEU 40 -8.282 1.420 -7.566 279 3HD2 LEU 40 3HD2 LEU 40 -6.782 1.327 -8.522 280 H ASP 41 H ASP 41 -11.311 0.106 -9.420 281 HA ASP 41 HA ASP 41 -10.704 2.806 -9.187 282 2HB ASP 41 2HB ASP 41 -13.068 1.636 -10.710 283 HD2 ASP 41 HD ASP 41 -11.225 3.928 -13.000 284 H PHE 42 H PHE 42 -13.838 0.971 -8.816 285 HA PHE 42 HA PHE 42 -15.429 3.043 -8.020 286 2HB PHE 42 2HB PHE 42 -15.223 0.058 -7.418 287 HD1 PHE 42 1HD PHE 42 -15.483 0.300 -4.922 288 HD2 PHE 42 2HD PHE 42 -18.465 1.591 -7.651 289 HE1 PHE 42 1HE PHE 42 -17.176 0.305 -3.070 290 HE2 PHE 42 2HE PHE 42 -20.158 1.597 -5.799 291 HZ PHE 42 HZ PHE 42 -19.494 0.952 -3.531 292 H VAL 43 H VAL 43 -13.004 1.206 -6.148 293 HA VAL 43 HA VAL 43 -13.898 2.360 -3.659 294 HB VAL 43 HB VAL 43 -12.388 0.116 -4.512 295 1HG1 VAL 43 1HG1 VAL 43 -10.400 0.203 -3.155 296 2HG1 VAL 43 2HG1 VAL 43 -10.402 1.619 -4.233 297 3HG1 VAL 43 3HG1 VAL 43 -10.843 1.805 -2.519 298 1HG2 VAL 43 1HG2 VAL 43 -14.143 0.087 -2.814 299 2HG2 VAL 43 2HG2 VAL 43 -12.624 -0.557 -2.147 300 3HG2 VAL 43 3HG2 VAL 43 -13.146 1.094 -1.738 301 H LYS 44 H LYS 44 -11.744 3.120 -6.306 302 HA LYS 44 HA LYS 44 -9.902 4.685 -4.860 303 2HB LYS 44 2HB LYS 44 -10.046 3.704 -7.395 304 2HG LYS 44 2HG LYS 44 -11.659 5.662 -7.921 305 2HD LYS 44 2HD LYS 44 -9.235 7.106 -6.997 306 2HE LYS 44 2HE LYS 44 -10.710 8.166 -9.443 307 1HZ LYS 44 1HZ LYS 44 -9.630 9.977 -8.657 308 2HZ LYS 44 2HZ LYS 44 -8.660 9.133 -7.659 309 H SER 45 H SER 45 -13.017 5.392 -6.536 310 HA SER 45 HA SER 45 -13.018 8.062 -6.478 311 2HB SER 45 2HB SER 45 -15.340 6.228 -5.730 312 HG SER 45 HG SER 45 -16.202 8.216 -5.405 313 H LEU 46 H LEU 46 -13.763 5.830 -3.733 314 HA LEU 46 HA LEU 46 -14.701 7.477 -1.850 315 2HB LEU 46 2HB LEU 46 -12.676 5.942 -0.589 316 HG LEU 46 HG LEU 46 -15.542 5.107 -1.102 317 1HD1 LEU 46 1HD1 LEU 46 -14.252 4.398 1.440 318 2HD1 LEU 46 2HD1 LEU 46 -15.234 3.414 0.330 319 3HD1 LEU 46 3HD1 LEU 46 -13.501 3.655 0.008 320 1HD2 LEU 46 1HD2 LEU 46 -15.926 6.125 1.204 321 2HD2 LEU 46 2HD2 LEU 46 -14.389 6.988 0.958 322 3HD2 LEU 46 3HD2 LEU 46 -15.747 7.252 -0.162 323 H LYS 47 H LYS 47 -11.300 7.307 -3.007 324 HA LYS 47 HA LYS 47 -9.511 8.524 -2.451 325 2HB LYS 47 2HB LYS 47 -11.146 9.932 -3.973 326 2HG LYS 47 2HG LYS 47 -10.746 12.079 -1.961 327 2HD LYS 47 2HD LYS 47 -13.392 11.445 -3.229 328 2HE LYS 47 2HE LYS 47 -11.878 13.768 -2.242 329 1HZ LYS 47 1HZ LYS 47 -11.895 15.042 -4.078 330 2HZ LYS 47 2HZ LYS 47 -12.242 13.735 -4.985 331 H SER 48 H SER 48 -10.772 7.400 -0.149 332 HA SER 48 HA SER 48 -11.254 9.294 1.813 333 2HB SER 48 2HB SER 48 -11.069 7.441 3.384 334 HG SER 48 HG SER 48 -12.397 7.159 0.971 335 HA PRO 49 HA PRO 49 -7.211 10.548 2.836 336 2HB PRO 49 2HB PRO 49 -7.985 12.451 3.874 337 2HG PRO 49 2HG PRO 49 -10.184 12.347 4.562 338 2HD PRO 49 2HD PRO 49 -10.986 10.743 3.123 339 H VAL 50 H VAL 50 -5.264 10.006 3.860 340 HA VAL 50 HA VAL 50 -5.458 8.126 6.026 341 HB VAL 50 HB VAL 50 -4.343 7.286 3.342 342 1HG1 VAL 50 1HG1 VAL 50 -4.116 5.045 4.580 343 2HG1 VAL 50 2HG1 VAL 50 -2.924 6.314 4.949 344 3HG1 VAL 50 3HG1 VAL 50 -4.265 5.999 6.076 345 1HG2 VAL 50 1HG2 VAL 50 -6.106 5.495 3.515 346 2HG2 VAL 50 2HG2 VAL 50 -6.795 6.394 4.889 347 3HG2 VAL 50 3HG2 VAL 50 -6.736 7.143 3.275 348 H ARG 51 H ARG 51 -3.230 7.589 6.867 349 HA ARG 51 HA ARG 51 -1.116 9.179 5.839 350 2HB ARG 51 2HB ARG 51 -2.271 9.796 8.605 351 2HG ARG 51 2HG ARG 51 -0.032 11.360 7.327 352 2HD ARG 51 2HD ARG 51 0.162 10.721 10.176 353 HE ARG 51 HE ARG 51 0.547 12.974 8.482 354 1HH1 ARG 51 2HH2 ARG 51 -0.623 12.283 11.754 355 2HH1 ARG 51 1HH2 ARG 51 -0.158 13.830 12.381 356 2HH2 ARG 51 1HH ARG 51 0.888 15.420 10.925 357 H ILE 52 H ILE 52 0.919 8.343 6.518 358 HA ILE 52 HA ILE 52 1.055 6.623 8.806 359 HB ILE 52 HB ILE 52 2.110 4.913 6.924 360 2HG1 ILE 52 2HG1 ILE 52 0.859 6.398 5.222 361 1HG2 ILE 52 1HG2 ILE 52 0.783 4.453 9.016 362 2HG2 ILE 52 2HG2 ILE 52 -0.689 4.734 8.056 363 3HG2 ILE 52 3HG2 ILE 52 0.412 3.405 7.626 364 1HD1 ILE 52 1HD1 ILE 52 0.174 3.426 5.314 365 2HD1 ILE 52 2HD1 ILE 52 0.285 4.454 3.866 366 3HD1 ILE 52 3HD1 ILE 52 1.752 4.069 4.798 367 H LEU 53 H LEU 53 3.230 6.277 9.480 368 HA LEU 53 HA LEU 53 5.065 8.143 8.204 369 2HB LEU 53 2HB LEU 53 5.041 6.756 10.881 370 HG LEU 53 HG LEU 53 7.211 8.361 9.586 371 1HD1 LEU 53 1HD1 LEU 53 7.341 9.855 11.218 372 2HD1 LEU 53 2HD1 LEU 53 6.000 9.084 12.098 373 3HD1 LEU 53 3HD1 LEU 53 7.670 8.527 12.357 374 1HD2 LEU 53 1HD2 LEU 53 6.921 5.821 11.032 375 2HD2 LEU 53 2HD2 LEU 53 8.131 6.337 9.834 376 3HD2 LEU 53 3HD2 LEU 53 8.320 6.796 11.543 377 H CYS 54 H CYS 54 7.209 7.526 7.565 378 HA CYS 54 HA CYS 54 7.427 4.640 7.102 379 2HB CYS 54 2HB CYS 54 8.515 6.838 5.315 380 HG CYS 54 HG CYS 54 7.844 3.837 4.311 381 H ARG 55 H ARG 55 9.223 3.704 8.044 382 HA ARG 55 HA ARG 55 11.268 5.568 8.951 383 2HB ARG 55 2HB ARG 55 11.765 3.679 10.670 384 2HG ARG 55 2HG ARG 55 9.041 4.417 11.405 385 2HD ARG 55 2HD ARG 55 10.627 6.079 12.845 386 HE ARG 55 HE ARG 55 9.492 3.607 13.359 387 1HH1 ARG 55 2HH2 ARG 55 12.587 5.091 14.234 388 2HH1 ARG 55 1HH2 ARG 55 12.737 4.200 15.713 389 2HH2 ARG 55 1HH ARG 55 11.021 2.643 16.324 390 H ARG 56 H ARG 56 13.311 3.767 9.621 391 HA ARG 56 HA ARG 56 14.548 3.351 7.268 392 2HB ARG 56 2HB ARG 56 15.968 3.193 9.127 393 2HG ARG 56 2HG ARG 56 15.164 1.123 10.814 394 2HD ARG 56 2HD ARG 56 13.976 3.696 11.593 395 HE ARG 56 HE ARG 56 16.472 2.759 12.810 396 1HH1 ARG 56 2HH2 ARG 56 12.963 2.286 12.682 397 2HH1 ARG 56 1HH2 ARG 56 12.883 1.541 14.244 398 2HH2 ARG 56 1HH ARG 56 14.895 1.251 15.512 399 H GLY 57 H GLY 57 14.426 1.829 5.623 400 1HA GLY 57 1HA GLY 57 12.352 0.108 5.278 401 2HA GLY 57 2HA GLY 57 13.926 -0.080 4.531 402 H ASP 58 H ASP 58 15.254 -0.350 7.282 403 HA ASP 58 HA ASP 58 15.232 -3.108 7.359 404 2HB ASP 58 2HB ASP 58 16.166 -0.941 9.265 405 HD2 ASP 58 HD ASP 58 16.503 -1.565 11.389 406 H THR 59 H THR 59 13.380 -0.572 9.078 407 HA THR 59 HA THR 59 12.104 -2.604 10.765 408 HB THR 59 HB THR 59 13.079 0.033 11.209 409 HG1 THR 59 1HG THR 59 12.788 -0.959 13.165 410 1HG2 THR 59 1HG2 THR 59 10.095 -0.062 11.784 411 2HG2 THR 59 2HG2 THR 59 11.190 1.341 11.825 412 3HG2 THR 59 3HG2 THR 59 10.683 0.651 10.264 413 H LEU 60 H LEU 60 11.747 -1.696 7.700 414 HA LEU 60 HA LEU 60 9.184 -0.689 7.466 415 2HB LEU 60 2HB LEU 60 10.276 -2.698 5.534 416 HG LEU 60 HG LEU 60 8.163 -1.335 5.069 417 1HD1 LEU 60 1HD1 LEU 60 9.889 0.948 4.265 418 2HD1 LEU 60 2HD1 LEU 60 8.192 0.916 4.802 419 3HD1 LEU 60 3HD1 LEU 60 9.507 0.785 5.996 420 1HD2 LEU 60 1HD2 LEU 60 10.543 -1.309 3.203 421 2HD2 LEU 60 2HD2 LEU 60 9.215 -2.492 3.284 422 3HD2 LEU 60 3HD2 LEU 60 8.900 -0.837 2.708 423 H ASP 61 H ASP 61 10.344 -4.091 7.808 424 HA ASP 61 HA ASP 61 8.006 -5.372 7.380 425 2HB ASP 61 2HB ASP 61 10.211 -6.456 7.842 426 HD2 ASP 61 HD ASP 61 11.989 -5.220 9.990 427 H GLU 62 H GLU 62 9.311 -3.961 10.469 428 HA GLU 62 HA GLU 62 7.019 -4.681 11.945 429 2HB GLU 62 2HB GLU 62 8.720 -2.446 12.944 430 2HG GLU 62 2HG GLU 62 8.787 -4.922 14.458 431 HE2 GLU 62 HE GLU 62 6.486 -3.883 15.994 432 H ILE 63 H ILE 63 8.108 -1.795 10.133 433 HA ILE 63 HA ILE 63 6.232 0.001 11.157 434 HB ILE 63 HB ILE 63 8.248 -0.090 9.128 435 2HG1 ILE 63 2HG1 ILE 63 6.870 2.381 10.174 436 1HG2 ILE 63 1HG2 ILE 63 7.261 1.428 7.477 437 2HG2 ILE 63 2HG2 ILE 63 6.426 -0.143 7.508 438 3HG2 ILE 63 3HG2 ILE 63 5.678 1.276 8.278 439 1HD1 ILE 63 1HD1 ILE 63 7.310 1.700 12.293 440 2HD1 ILE 63 2HD1 ILE 63 8.145 0.239 11.716 441 3HD1 ILE 63 3HD1 ILE 63 9.036 1.773 11.865 442 H ILE 64 H ILE 64 5.988 -2.674 8.870 443 HA ILE 64 HA ILE 64 3.677 -1.831 7.536 444 HB ILE 64 HB ILE 64 5.286 -4.257 7.813 445 2HG1 ILE 64 2HG1 ILE 64 3.927 -2.688 5.647 446 1HG2 ILE 64 1HG2 ILE 64 3.474 -5.721 6.853 447 2HG2 ILE 64 2HG2 ILE 64 3.301 -5.317 8.577 448 3HG2 ILE 64 3HG2 ILE 64 2.303 -4.481 7.363 449 1HD1 ILE 64 1HD1 ILE 64 6.198 -2.042 6.219 450 2HD1 ILE 64 2HD1 ILE 64 6.738 -3.738 6.196 451 3HD1 ILE 64 3HD1 ILE 64 6.264 -2.935 4.680 452 H LYS 65 H LYS 65 4.163 -3.894 10.476 453 HA LYS 65 HA LYS 65 1.427 -4.313 10.908 454 2HB LYS 65 2HB LYS 65 3.381 -5.631 11.835 455 2HG LYS 65 2HG LYS 65 3.875 -3.068 13.120 456 2HD LYS 65 2HD LYS 65 4.164 -3.825 15.429 457 2HE LYS 65 2HE LYS 65 1.552 -3.738 14.121 458 1HZ LYS 65 1HZ LYS 65 1.572 -6.018 15.303 459 2HZ LYS 65 2HZ LYS 65 1.528 -5.178 16.698 460 H ARG 66 H ARG 66 3.671 -1.673 11.751 461 HA ARG 66 HA ARG 66 1.907 -0.508 13.600 462 2HB ARG 66 2HB ARG 66 3.457 1.540 13.214 463 2HG ARG 66 2HG ARG 66 5.353 -0.662 13.728 464 2HD ARG 66 2HD ARG 66 4.816 1.935 14.691 465 HE ARG 66 HE ARG 66 3.322 0.325 16.355 466 1HH1 ARG 66 2HH2 ARG 66 6.326 2.143 16.837 467 2HH1 ARG 66 1HH2 ARG 66 6.043 2.402 18.525 468 2HH2 ARG 66 1HH ARG 66 4.052 1.526 19.531 469 H LEU 67 H LEU 67 2.462 -0.289 10.081 470 HA LEU 67 HA LEU 67 1.113 2.114 9.618 471 2HB LEU 67 2HB LEU 67 0.828 1.060 7.293 472 HG LEU 67 HG LEU 67 3.668 0.744 7.585 473 1HD1 LEU 67 1HD1 LEU 67 3.061 1.565 5.550 474 2HD1 LEU 67 2HD1 LEU 67 1.749 2.568 6.213 475 3HD1 LEU 67 3HD1 LEU 67 3.442 3.098 6.369 476 1HD2 LEU 67 1HD2 LEU 67 4.292 2.844 8.614 477 2HD2 LEU 67 2HD2 LEU 67 2.583 3.232 8.933 478 3HD2 LEU 67 3HD2 LEU 67 3.356 1.862 9.765 479 H LEU 68 H LEU 68 -0.021 -1.329 9.576 480 HA LEU 68 HA LEU 68 -2.592 -0.936 8.802 481 2HB LEU 68 2HB LEU 68 -2.917 -3.062 9.427 482 HG LEU 68 HG LEU 68 0.022 -2.946 10.161 483 1HD1 LEU 68 1HD1 LEU 68 -1.151 -4.952 11.008 484 2HD1 LEU 68 2HD1 LEU 68 -1.664 -5.328 9.346 485 3HD1 LEU 68 3HD1 LEU 68 0.066 -5.330 9.765 486 1HD2 LEU 68 1HD2 LEU 68 0.458 -3.649 7.868 487 2HD2 LEU 68 2HD2 LEU 68 -1.281 -3.585 7.501 488 3HD2 LEU 68 3HD2 LEU 68 -0.401 -2.092 7.902 489 H GLU 69 H GLU 69 -1.260 -0.644 12.161 490 HA GLU 69 HA GLU 69 -3.596 -0.092 13.424 491 2HB GLU 69 2HB GLU 69 -2.172 1.111 15.109 492 2HG GLU 69 2HG GLU 69 -0.390 -0.821 15.267 493 HE2 GLU 69 HE GLU 69 -1.231 -1.254 17.157 494 H GLU 70 H GLU 70 -1.805 1.876 11.134 495 HA GLU 70 HA GLU 70 -3.246 4.244 11.950 496 2HB GLU 70 2HB GLU 70 -1.809 5.392 10.257 497 2HG GLU 70 2HG GLU 70 0.456 4.245 11.391 498 HE2 GLU 70 HE GLU 70 -0.366 5.262 14.074 499 H SER 71 H SER 71 -2.920 1.931 9.211 500 HA SER 71 HA SER 71 -4.906 3.366 7.724 501 2HB SER 71 2HB SER 71 -4.584 1.283 6.165 502 HG SER 71 HG SER 71 -3.067 2.445 5.166 503 H ASN 72 H ASN 72 -4.538 -0.105 8.782 504 HA ASN 72 HA ASN 72 -6.966 -1.011 8.338 505 2HB ASN 72 2HB ASN 72 -6.111 -1.682 11.105 506 1HD2 ASN 72 1HD2 ASN 72 -6.268 -3.852 11.451 507 2HD2 ASN 72 2HD2 ASN 72 -6.891 -4.982 10.296 508 H LYS 73 H LYS 73 -5.994 1.372 10.793 509 HA LYS 73 HA LYS 73 -8.234 1.197 12.462 510 2HB LYS 73 2HB LYS 73 -7.214 3.868 12.402 511 2HG LYS 73 2HG LYS 73 -5.970 2.569 14.502 512 2HD LYS 73 2HD LYS 73 -7.714 4.503 14.447 513 2HE LYS 73 2HE LYS 73 -9.852 2.880 15.491 514 1HZ LYS 73 1HZ LYS 73 -10.157 5.049 14.498 515 2HZ LYS 73 2HZ LYS 73 -9.600 4.554 13.050 516 H GLU 74 H GLU 74 -7.496 3.334 9.625 517 HA GLU 74 HA GLU 74 -10.264 4.172 9.686 518 2HB GLU 74 2HB GLU 74 -8.322 5.819 9.445 519 2HG GLU 74 2HG GLU 74 -7.184 4.247 7.678 520 HE2 GLU 74 HE GLU 74 -8.684 3.573 4.859 521 H GLY 75 H GLY 75 -8.676 1.544 8.566 522 1HA GLY 75 1HA GLY 75 -10.296 1.419 6.092 523 2HA GLY 75 2HA GLY 75 -8.666 0.784 6.198 524 H ILE 76 H ILE 76 -10.050 -1.201 5.449 525 HA ILE 76 HA ILE 76 -11.381 -2.480 7.698 526 HB ILE 76 HB ILE 76 -12.429 -2.371 5.449 527 2HG1 ILE 76 2HG1 ILE 76 -11.856 -5.180 6.437 528 1HG2 ILE 76 1HG2 ILE 76 -10.089 -2.820 4.338 529 2HG2 ILE 76 2HG2 ILE 76 -10.576 -4.525 4.501 530 3HG2 ILE 76 3HG2 ILE 76 -11.591 -3.395 3.573 531 1HD1 ILE 76 1HD1 ILE 76 -12.729 -4.280 8.371 532 2HD1 ILE 76 2HD1 ILE 76 -13.458 -2.897 7.520 533 3HD1 ILE 76 3HD1 ILE 76 -14.263 -4.484 7.493 534 H HIS 77 H HIS 77 -10.860 -4.840 8.116 535 HA HIS 77 HA HIS 77 -8.292 -5.114 8.944 536 2HB HIS 77 2HB HIS 77 -9.243 -7.714 8.299 537 HD1 HIS 77 1HD HIS 77 -7.720 -8.491 10.181 538 HD2 HIS 77 2HD HIS 77 -10.508 -5.610 11.414 539 HE1 HIS 77 1HE HIS 77 -7.554 -8.378 12.726 540 H VAL 78 H VAL 78 -6.560 -4.691 7.618 541 HA VAL 78 HA VAL 78 -6.292 -6.479 5.316 542 HB VAL 78 HB VAL 78 -6.172 -3.492 5.391 543 1HG1 VAL 78 1HG1 VAL 78 -4.420 -5.286 3.701 544 2HG1 VAL 78 2HG1 VAL 78 -4.895 -3.657 3.165 545 3HG1 VAL 78 3HG1 VAL 78 -3.963 -3.863 4.667 546 1HG2 VAL 78 1HG2 VAL 78 -7.152 -5.511 3.342 547 2HG2 VAL 78 2HG2 VAL 78 -8.157 -4.577 4.475 548 3HG2 VAL 78 3HG2 VAL 78 -7.260 -3.741 3.185 549 H ILE 79 H ILE 79 -4.243 -7.354 5.074 550 HA ILE 79 HA ILE 79 -2.289 -6.454 7.075 551 HB ILE 79 HB ILE 79 -1.446 -8.753 7.072 552 2HG1 ILE 79 2HG1 ILE 79 -2.269 -9.295 4.748 553 1HG2 ILE 79 1HG2 ILE 79 -3.165 -9.697 8.446 554 2HG2 ILE 79 2HG2 ILE 79 -3.142 -7.938 8.715 555 3HG2 ILE 79 3HG2 ILE 79 -4.408 -8.665 7.696 556 1HD1 ILE 79 1HD1 ILE 79 -3.383 -11.481 6.417 557 2HD1 ILE 79 2HD1 ILE 79 -2.051 -11.517 5.237 558 3HD1 ILE 79 3HD1 ILE 79 -1.754 -10.950 6.899 559 H HIS 80 H HIS 80 -2.359 -4.951 4.819 560 HA HIS 80 HA HIS 80 -0.572 -6.134 2.887 561 2HB HIS 80 2HB HIS 80 -0.869 -3.922 1.732 562 HD1 HIS 80 1HD HIS 80 -2.182 -6.992 1.911 563 HD2 HIS 80 2HD HIS 80 -4.087 -3.329 1.167 564 HE1 HIS 80 1HE HIS 80 -4.338 -7.549 0.666 565 H ASP 81 H ASP 81 1.345 -4.671 2.137 566 HA ASP 81 HA ASP 81 2.674 -3.800 4.579 567 2HB ASP 81 2HB ASP 81 4.790 -4.149 3.130 568 HD2 ASP 81 HD ASP 81 3.069 -7.121 4.965 569 H SER 82 H SER 82 4.560 -2.096 3.917 570 HA SER 82 HA SER 82 3.217 0.105 2.832 571 2HB SER 82 2HB SER 82 6.196 -0.262 3.381 572 HG SER 82 HG SER 82 6.229 2.011 3.550 573 H ILE 83 H ILE 83 5.403 -2.380 1.540 574 HA ILE 83 HA ILE 83 6.057 -0.931 -0.826 575 HB ILE 83 HB ILE 83 6.271 -3.893 -0.288 576 2HG1 ILE 83 2HG1 ILE 83 7.331 -2.711 1.544 577 1HG2 ILE 83 1HG2 ILE 83 7.812 -2.083 -2.168 578 2HG2 ILE 83 2HG2 ILE 83 8.062 -3.830 -1.936 579 3HG2 ILE 83 3HG2 ILE 83 6.538 -3.235 -2.637 580 1HD1 ILE 83 1HD1 ILE 83 9.465 -3.527 -0.479 581 2HD1 ILE 83 2HD1 ILE 83 9.605 -3.541 1.296 582 3HD1 ILE 83 3HD1 ILE 83 8.514 -4.687 0.481 583 H THR 84 H THR 84 3.514 -3.208 0.220 584 HA THR 84 HA THR 84 2.523 -3.587 -2.448 585 HB THR 84 HB THR 84 2.017 -4.551 0.320 586 HG1 THR 84 1HG THR 84 2.972 -5.765 -1.478 587 1HG2 THR 84 1HG2 THR 84 -0.237 -4.365 -1.748 588 2HG2 THR 84 2HG2 THR 84 -0.269 -5.401 -0.301 589 3HG2 THR 84 3HG2 THR 84 -0.249 -3.630 -0.127 590 H LEU 85 H LEU 85 1.910 -1.371 0.271 591 HA LEU 85 HA LEU 85 -0.563 -0.429 -0.581 592 2HB LEU 85 2HB LEU 85 0.531 1.722 0.637 593 HG LEU 85 HG LEU 85 -1.385 0.671 1.607 594 1HD1 LEU 85 1HD1 LEU 85 -1.600 -1.495 2.185 595 2HD1 LEU 85 2HD1 LEU 85 -0.196 -1.711 1.113 596 3HD1 LEU 85 3HD1 LEU 85 0.039 -1.591 2.872 597 1HD2 LEU 85 1HD2 LEU 85 0.553 0.245 3.832 598 2HD2 LEU 85 2HD2 LEU 85 0.504 1.850 3.062 599 3HD2 LEU 85 3HD2 LEU 85 -0.971 1.166 3.789 600 H ALA 86 H ALA 86 2.799 0.481 -1.490 601 HA ALA 86 HA ALA 86 2.075 2.708 -3.035 602 1HB ALA 86 1HB ALA 86 4.342 2.624 -3.801 603 2HB ALA 86 2HB ALA 86 4.364 2.058 -2.114 604 3HB ALA 86 3HB ALA 86 4.469 0.885 -3.449 605 H PHE 87 H PHE 87 2.430 -0.804 -3.759 606 HA PHE 87 HA PHE 87 2.015 -0.463 -6.540 607 2HB PHE 87 2HB PHE 87 1.279 -3.015 -5.118 608 HD1 PHE 87 1HD PHE 87 4.619 -2.491 -6.451 609 HD2 PHE 87 2HD PHE 87 0.661 -3.687 -7.406 610 HE1 PHE 87 1HE PHE 87 5.445 -3.520 -8.586 611 HE2 PHE 87 2HE PHE 87 1.487 -4.716 -9.541 612 HZ PHE 87 HZ PHE 87 3.870 -4.621 -10.106 613 H LEU 88 H LEU 88 -0.077 -1.571 -3.788 614 HA LEU 88 HA LEU 88 -2.341 -2.022 -5.363 615 2HB LEU 88 2HB LEU 88 -3.418 -1.531 -2.976 616 HG LEU 88 HG LEU 88 -3.487 -3.763 -3.786 617 1HD1 LEU 88 1HD1 LEU 88 -1.160 -5.090 -3.377 618 2HD1 LEU 88 2HD1 LEU 88 -1.659 -4.391 -4.936 619 3HD1 LEU 88 3HD1 LEU 88 -0.546 -3.494 -3.875 620 1HD2 LEU 88 1HD2 LEU 88 -2.550 -5.062 -1.742 621 2HD2 LEU 88 2HD2 LEU 88 -2.155 -3.445 -1.110 622 3HD2 LEU 88 3HD2 LEU 88 -3.841 -3.862 -1.499 623 H ILE 89 H ILE 89 -1.058 0.896 -3.705 624 HA ILE 89 HA ILE 89 -3.366 2.455 -4.223 625 HB ILE 89 HB ILE 89 -0.534 3.090 -3.418 626 2HG1 ILE 89 2HG1 ILE 89 -2.183 1.903 -1.855 627 1HG2 ILE 89 1HG2 ILE 89 -1.289 4.993 -4.688 628 2HG2 ILE 89 2HG2 ILE 89 -2.843 5.011 -3.819 629 3HG2 ILE 89 3HG2 ILE 89 -1.335 5.395 -2.954 630 1HD1 ILE 89 1HD1 ILE 89 -1.501 3.300 0.071 631 2HD1 ILE 89 2HD1 ILE 89 -0.145 3.100 -1.064 632 3HD1 ILE 89 3HD1 ILE 89 -1.063 4.625 -1.035 633 H ARG 90 H ARG 90 -0.104 2.190 -5.791 634 HA ARG 90 HA ARG 90 -0.244 4.043 -7.642 635 2HB ARG 90 2HB ARG 90 0.584 1.749 -9.119 636 2HG ARG 90 2HG ARG 90 2.511 3.135 -7.272 637 2HD ARG 90 2HD ARG 90 2.865 3.287 -10.204 638 HE ARG 90 HE ARG 90 4.490 2.755 -7.836 639 1HH1 ARG 90 2HH2 ARG 90 4.402 2.481 -11.367 640 2HH1 ARG 90 1HH2 ARG 90 6.126 2.458 -11.531 641 2HH2 ARG 90 1HH ARG 90 7.496 2.604 -9.569 642 H GLU 91 H GLU 91 -2.176 1.037 -7.557 643 HA GLU 91 HA GLU 91 -3.112 1.261 -10.196 644 2HB GLU 91 2HB GLU 91 -5.023 -0.208 -8.740 645 2HG GLU 91 2HG GLU 91 -3.413 -2.172 -9.485 646 HE2 GLU 91 HE GLU 91 -5.527 -2.720 -11.404 647 H LYS 92 H LYS 92 -4.414 2.209 -6.956 648 HA LYS 92 HA LYS 92 -6.707 3.436 -8.243 649 2HB LYS 92 2HB LYS 92 -7.001 2.083 -6.200 650 2HG LYS 92 2HG LYS 92 -4.697 3.328 -5.287 651 2HD LYS 92 2HD LYS 92 -6.599 5.263 -4.819 652 2HE LYS 92 2HE LYS 92 -6.530 3.363 -2.445 653 1HZ LYS 92 1HZ LYS 92 -6.015 5.423 -1.451 654 2HZ LYS 92 2HZ LYS 92 -6.950 6.291 -2.464 655 H ALA 93 H ALA 93 -3.535 4.237 -7.963 656 HA ALA 93 HA ALA 93 -4.027 6.973 -8.411 657 1HB ALA 93 1HB ALA 93 -3.793 6.170 -5.652 658 2HB ALA 93 2HB ALA 93 -2.368 7.138 -6.099 659 3HB ALA 93 3HB ALA 93 -4.003 7.804 -6.326 660 H SER 94 H SER 94 -2.827 6.098 -10.281 661 HA SER 94 HA SER 94 -0.175 5.196 -9.804 662 2HB SER 94 2HB SER 94 -1.332 4.262 -11.696 663 HG SER 94 HG SER 94 -1.757 5.922 -13.532 664 H HIS 95 H HIS 95 -1.504 8.162 -9.408 665 HA HIS 95 HA HIS 95 0.461 9.677 -10.879 666 2HB HIS 95 2HB HIS 95 -0.730 11.620 -9.746 667 HD1 HIS 95 1HD HIS 95 -3.413 9.158 -10.811 668 HD2 HIS 95 2HD HIS 95 -1.128 12.279 -12.433 669 HE1 HIS 95 1HE HIS 95 -4.427 9.672 -13.095 670 H ARG 96 H ARG 96 -0.589 10.372 -7.521 671 HA ARG 96 HA ARG 96 2.223 10.433 -6.838 672 2HB ARG 96 2HB ARG 96 1.598 11.916 -5.018 673 2HG ARG 96 2HG ARG 96 -0.467 12.974 -6.848 674 2HD ARG 96 2HD ARG 96 2.357 13.935 -6.177 675 HE ARG 96 HE ARG 96 0.584 14.985 -8.032 676 1HH1 ARG 96 2HH2 ARG 96 1.865 16.150 -4.940 677 2HH1 ARG 96 1HH2 ARG 96 1.749 17.821 -5.379 678 2HH2 ARG 96 1HH ARG 96 0.902 18.409 -7.543 679 H ILE 97 H ILE 97 2.994 8.589 -5.856 680 HA ILE 97 HA ILE 97 1.135 7.169 -4.077 681 HB ILE 97 HB ILE 97 3.473 5.882 -5.446 682 2HG1 ILE 97 2HG1 ILE 97 1.109 6.940 -6.750 683 1HG2 ILE 97 1HG2 ILE 97 1.512 4.020 -5.247 684 2HG2 ILE 97 2HG2 ILE 97 2.764 4.301 -4.013 685 3HG2 ILE 97 3HG2 ILE 97 1.152 5.034 -3.829 686 1HD1 ILE 97 1HD1 ILE 97 2.383 6.461 -8.728 687 2HD1 ILE 97 2HD1 ILE 97 3.573 6.940 -7.495 688 3HD1 ILE 97 3HD1 ILE 97 3.347 5.220 -7.892 689 H VAL 98 H VAL 98 2.485 5.781 -2.404 690 HA VAL 98 HA VAL 98 4.323 7.690 -1.181 691 HB VAL 98 HB VAL 98 2.524 7.095 0.222 692 1HG1 VAL 98 1HG1 VAL 98 3.016 4.309 -0.782 693 2HG1 VAL 98 2HG1 VAL 98 2.274 4.543 0.819 694 3HG1 VAL 98 3HG1 VAL 98 1.490 5.214 -0.632 695 1HG2 VAL 98 1HG2 VAL 98 3.687 5.709 2.041 696 2HG2 VAL 98 2HG2 VAL 98 5.072 5.627 0.926 697 3HG2 VAL 98 3HG2 VAL 98 4.493 7.204 1.513 698 H HIS 99 H HIS 99 6.412 7.036 -0.414 699 HA HIS 99 HA HIS 99 7.335 4.549 -1.661 700 2HB HIS 99 2HB HIS 99 9.443 6.501 -1.279 701 HD1 HIS 99 1HD HIS 99 10.279 7.057 -4.037 702 HD2 HIS 99 2HD HIS 99 8.279 3.499 -3.071 703 HE1 HIS 99 1HE HIS 99 10.836 5.398 -5.894 704 H ARG 100 H ARG 100 9.905 4.467 -0.528 705 HA ARG 100 HA ARG 100 9.682 4.914 2.258 706 2HB ARG 100 2HB ARG 100 8.386 2.818 2.126 707 2HG ARG 100 2HG ARG 100 10.124 2.194 0.002 708 2HD ARG 100 2HD ARG 100 10.774 0.611 2.503 709 HE ARG 100 HE ARG 100 10.020 -0.686 0.127 710 1HH1 ARG 100 2HH2 ARG 100 12.952 -0.482 2.106 711 2HH1 ARG 100 1HH2 ARG 100 13.515 -2.057 1.656 712 2HH2 ARG 100 1HH ARG 100 12.212 -3.381 0.142 713 H VAL 101 H VAL 101 11.748 5.517 2.836 714 HA VAL 101 HA VAL 101 13.946 4.339 1.283 715 HB VAL 101 HB VAL 101 13.710 6.684 0.854 716 1HG1 VAL 101 1HG1 VAL 101 13.899 8.366 2.689 717 2HG1 VAL 101 2HG1 VAL 101 12.412 7.392 2.765 718 3HG1 VAL 101 3HG1 VAL 101 13.764 7.040 3.868 719 1HG2 VAL 101 1HG2 VAL 101 16.017 6.030 2.709 720 2HG2 VAL 101 2HG2 VAL 101 15.987 5.957 0.931 721 3HG2 VAL 101 3HG2 VAL 101 15.912 7.531 1.759 722 H VAL 102 H VAL 102 15.875 3.724 2.431 723 HA VAL 102 HA VAL 102 15.378 3.339 5.303 724 HB VAL 102 HB VAL 102 15.307 1.299 3.852 725 1HG1 VAL 102 1HG1 VAL 102 18.295 1.396 3.640 726 2HG1 VAL 102 2HG1 VAL 102 17.104 0.529 2.640 727 3HG1 VAL 102 3HG1 VAL 102 17.322 2.285 2.443 728 1HG2 VAL 102 1HG2 VAL 102 16.089 0.041 5.565 729 2HG2 VAL 102 2HG2 VAL 102 17.669 0.859 5.588 730 3HG2 VAL 102 3HG2 VAL 102 16.263 1.618 6.371 731 H LYS 103 H LYS 103 16.354 5.376 5.838 732 HA LYS 103 HA LYS 103 19.082 5.221 6.335 733 2HB LYS 103 2HB LYS 103 18.638 7.280 4.197 734 2HG LYS 103 2HG LYS 103 21.137 5.710 4.344 735 2HD LYS 103 2HD LYS 103 20.562 8.695 4.646 736 2HE LYS 103 2HE LYS 103 23.009 7.076 4.686 737 1HZ LYS 103 1HZ LYS 103 23.898 7.692 2.734 738 2HZ LYS 103 2HZ LYS 103 22.517 8.424 2.277 739 H SER 104 H SER 104 16.202 7.261 5.677 740 HA SER 104 HA SER 104 16.819 8.619 8.169 741 2HB SER 104 2HB SER 104 15.668 10.111 5.785 742 HG SER 104 HG SER 104 15.826 11.805 7.090 743 H ASP 105 H ASP 105 14.665 10.086 8.695 744 HA ASP 105 HA ASP 105 12.528 8.144 8.532 745 2HB ASP 105 2HB ASP 105 12.133 10.645 10.102 746 HD2 ASP 105 HD ASP 105 9.990 8.115 10.178 747 H PHE 106 H PHE 106 10.521 8.662 7.512 748 HA PHE 106 HA PHE 106 10.027 11.389 6.712 749 2HB PHE 106 2HB PHE 106 9.669 9.520 4.453 750 HD1 PHE 106 1HD PHE 106 12.604 10.640 3.482 751 HD2 PHE 106 2HD PHE 106 8.923 12.314 4.766 752 HE1 PHE 106 1HE PHE 106 13.104 12.732 2.188 753 HE2 PHE 106 2HE PHE 106 9.422 14.406 3.473 754 HZ PHE 106 HZ PHE 106 11.507 14.590 2.199 755 H GLU 107 H GLU 107 7.823 11.809 6.462 756 HA GLU 107 HA GLU 107 6.135 9.467 6.878 757 2HB GLU 107 2HB GLU 107 4.482 11.137 7.846 758 2HG GLU 107 2HG GLU 107 7.255 10.839 9.078 759 HE2 GLU 107 HE GLU 107 6.259 13.546 10.933 760 H ILE 108 H ILE 108 4.102 9.338 5.700 761 HA ILE 108 HA ILE 108 3.857 11.242 3.496 762 HB ILE 108 HB ILE 108 3.451 8.347 2.920 763 2HG1 ILE 108 2HG1 ILE 108 6.109 9.658 3.379 764 1HG2 ILE 108 1HG2 ILE 108 4.551 10.584 1.205 765 2HG2 ILE 108 2HG2 ILE 108 3.949 8.994 0.681 766 3HG2 ILE 108 3HG2 ILE 108 2.820 10.198 1.347 767 1HD1 ILE 108 1HD1 ILE 108 4.637 7.486 4.476 768 2HD1 ILE 108 2HD1 ILE 108 5.953 6.759 3.523 769 3HD1 ILE 108 3HD1 ILE 108 6.328 7.924 4.815 770 H GLY 109 H GLY 109 1.744 11.777 2.993 771 1HA GLY 109 1HA GLY 109 -0.409 10.149 4.116 772 2HA GLY 109 2HA GLY 109 -0.250 11.790 4.711 773 H VAL 110 H VAL 110 -2.502 10.691 3.188 774 HA VAL 110 HA VAL 110 -2.453 12.632 1.022 775 HB VAL 110 HB VAL 110 -2.181 9.822 0.636 776 1HG1 VAL 110 1HG1 VAL 110 -4.685 9.819 0.833 777 2HG1 VAL 110 2HG1 VAL 110 -4.743 10.903 -0.578 778 3HG1 VAL 110 3HG1 VAL 110 -4.070 9.264 -0.742 779 1HG2 VAL 110 1HG2 VAL 110 -1.673 10.427 -1.558 780 2HG2 VAL 110 2HG2 VAL 110 -2.809 11.799 -1.551 781 3HG2 VAL 110 3HG2 VAL 110 -1.281 11.903 -0.643 782 H THR 111 H THR 111 -4.663 13.194 0.292 783 HA THR 111 HA THR 111 -6.635 12.580 2.395 784 HB THR 111 HB THR 111 -7.372 14.862 2.217 785 HG1 THR 111 1HG THR 111 -6.440 16.118 0.354 786 1HG2 THR 111 1HG2 THR 111 -4.447 15.309 1.556 787 2HG2 THR 111 2HG2 THR 111 -5.465 16.151 2.748 788 3HG2 THR 111 3HG2 THR 111 -4.872 14.508 3.088 789 H ARG 112 H ARG 112 -5.809 12.449 -0.985 790 HA ARG 112 HA ARG 112 -8.403 11.274 -1.428 791 2HB ARG 112 2HB ARG 112 -9.148 12.854 -2.897 792 2HG ARG 112 2HG ARG 112 -6.648 14.293 -1.906 793 2HD ARG 112 2HD ARG 112 -7.556 15.140 -4.175 794 HE ARG 112 HE ARG 112 -10.035 15.058 -2.809 795 1HH1 ARG 112 2HH2 ARG 112 -8.177 17.392 -4.722 796 2HH1 ARG 112 1HH2 ARG 112 -9.582 18.230 -5.292 797 2HH2 ARG 112 1HH ARG 112 -11.753 17.492 -4.596 798 H ASP 113 H ASP 113 -5.244 12.235 -2.963 799 HA ASP 113 HA ASP 113 -4.104 9.905 -3.261 800 2HB ASP 113 2HB ASP 113 -4.932 9.592 -5.893 801 HD2 ASP 113 HD ASP 113 -4.118 7.223 -3.907 802 H GLY 114 H GLY 114 -5.158 12.948 -4.688 803 1HA GLY 114 1HA GLY 114 -3.059 13.130 -6.655 804 2HA GLY 114 2HA GLY 114 -4.215 14.365 -6.197 805 H GLU 115 H GLU 115 -3.900 15.308 -3.872 806 HA GLU 115 HA GLU 115 -1.183 16.138 -3.755 807 2HB GLU 115 2HB GLU 115 -2.692 17.887 -3.321 808 2HG GLU 115 2HG GLU 115 -4.346 17.302 -1.193 809 HE2 GLU 115 HE GLU 115 -5.637 19.065 -3.516 810 H ILE 116 H ILE 116 0.378 15.628 -2.192 811 HA ILE 116 HA ILE 116 -0.470 13.656 -0.187 812 HB ILE 116 HB ILE 116 1.709 12.574 -0.463 813 2HG1 ILE 116 2HG1 ILE 116 2.186 14.867 -2.245 814 1HG2 ILE 116 1HG2 ILE 116 -0.422 12.637 -2.481 815 2HG2 ILE 116 2HG2 ILE 116 1.125 11.989 -3.078 816 3HG2 ILE 116 3HG2 ILE 116 0.345 11.261 -1.654 817 1HD1 ILE 116 1HD1 ILE 116 3.931 12.799 -0.832 818 2HD1 ILE 116 2HD1 ILE 116 4.554 14.211 -1.718 819 3HD1 ILE 116 3HD1 ILE 116 3.562 14.443 -0.259 820 H ILE 117 H ILE 117 1.173 13.553 1.691 821 HA ILE 117 HA ILE 117 2.331 16.203 2.146 822 HB ILE 117 HB ILE 117 1.499 15.896 4.557 823 2HG1 ILE 117 2HG1 ILE 117 0.547 13.501 3.625 824 1HG2 ILE 117 1HG2 ILE 117 -0.011 17.494 4.102 825 2HG2 ILE 117 2HG2 ILE 117 0.618 17.367 2.441 826 3HG2 ILE 117 3HG2 ILE 117 -0.865 16.495 2.899 827 1HD1 ILE 117 1HD1 ILE 117 -0.035 15.286 5.970 828 2HD1 ILE 117 2HD1 ILE 117 -1.099 13.881 5.726 829 3HD1 ILE 117 3HD1 ILE 117 0.653 13.645 5.936 830 H VAL 118 H VAL 118 4.284 16.197 3.274 831 HA VAL 118 HA VAL 118 5.251 13.523 4.019 832 HB VAL 118 HB VAL 118 7.431 14.144 3.205 833 1HG1 VAL 118 1HG1 VAL 118 6.364 14.865 0.710 834 2HG1 VAL 118 2HG1 VAL 118 6.705 13.222 1.305 835 3HG1 VAL 118 3HG1 VAL 118 5.083 13.926 1.514 836 1HG2 VAL 118 1HG2 VAL 118 7.266 16.383 1.665 837 2HG2 VAL 118 2HG2 VAL 118 6.209 16.835 3.025 838 3HG2 VAL 118 3HG2 VAL 118 7.896 16.354 3.329 839 H ASP 119 H ASP 119 6.801 13.486 5.803 840 HA ASP 119 HA ASP 119 7.256 15.894 7.217 841 2HB ASP 119 2HB ASP 119 5.858 13.898 8.947 842 HD2 ASP 119 HD ASP 119 6.282 16.727 10.909 843 H LEU 120 H LEU 120 9.416 15.476 7.714 844 HA LEU 120 HA LEU 120 10.259 12.748 8.127 845 2HB LEU 120 2HB LEU 120 12.517 13.840 8.300 846 HG LEU 120 HG LEU 120 11.045 13.349 5.992 847 1HD1 LEU 120 1HD1 LEU 120 11.973 16.205 6.048 848 2HD1 LEU 120 2HD1 LEU 120 11.989 15.285 4.525 849 3HD1 LEU 120 3HD1 LEU 120 10.463 15.509 5.413 850 1HD2 LEU 120 1HD2 LEU 120 13.056 12.761 5.132 851 2HD2 LEU 120 2HD2 LEU 120 13.855 14.260 5.665 852 3HD2 LEU 120 3HD2 LEU 120 13.560 12.946 6.829 853 H ASN 121 H ASN 121 8.434 13.226 10.065 854 HA ASN 121 HA ASN 121 8.124 13.129 12.206 855 2HB ASN 121 2HB ASN 121 11.137 12.679 12.172 856 1HD2 ASN 121 1HD2 ASN 121 8.503 11.844 14.392 857 2HD2 ASN 121 2HD2 ASN 121 9.240 12.425 15.848 858 H SER 122 H SER 122 7.888 14.673 13.936 859 HA SER 122 HA SER 122 7.958 16.603 14.924 860 2HB SER 122 2HB SER 122 10.793 17.184 14.092 861 HG SER 122 HG SER 122 10.164 16.985 16.794 Start of MODEL 19 1 H MET 1 H MET 1 9.571 -8.137 -20.319 2 HA MET 1 HA MET 1 8.505 -6.036 -20.124 3 2HB MET 1 2HB MET 1 5.819 -6.574 -20.841 4 2HG MET 1 2HG MET 1 7.974 -5.264 -22.571 5 1HE MET 1 1HE MET 1 5.899 -2.832 -24.378 6 2HE MET 1 2HE MET 1 5.207 -2.529 -22.767 7 3HE MET 1 3HE MET 1 6.953 -2.827 -22.943 8 H ARG 2 H ARG 2 8.605 -6.354 -17.905 9 HA ARG 2 HA ARG 2 6.256 -7.521 -16.758 10 2HB ARG 2 2HB ARG 2 8.840 -8.460 -15.526 11 2HG ARG 2 2HG ARG 2 6.951 -10.550 -15.827 12 2HD ARG 2 2HD ARG 2 6.585 -9.229 -13.289 13 HE ARG 2 HE ARG 2 6.860 -11.556 -13.076 14 1HH1 ARG 2 2HH2 ARG 2 9.692 -10.181 -14.704 15 2HH1 ARG 2 1HH2 ARG 2 10.612 -11.646 -14.609 16 2HH2 ARG 2 1HH ARG 2 9.640 -13.577 -13.574 17 H GLU 3 H GLU 3 6.184 -7.059 -14.314 18 HA GLU 3 HA GLU 3 7.890 -4.775 -13.701 19 2HB GLU 3 2HB GLU 3 5.647 -4.192 -12.266 20 2HG GLU 3 2HG GLU 3 5.767 -3.491 -15.219 21 HE2 GLU 3 HE GLU 3 3.940 -1.059 -14.881 22 H ARG 4 H ARG 4 8.034 -4.348 -11.261 23 HA ARG 4 HA ARG 4 7.719 -6.860 -9.828 24 2HB ARG 4 2HB ARG 4 9.886 -6.048 -8.561 25 2HG ARG 4 2HG ARG 4 10.317 -6.868 -11.459 26 2HD ARG 4 2HD ARG 4 11.620 -7.709 -8.823 27 HE ARG 4 HE ARG 4 12.852 -8.376 -11.404 28 1HH1 ARG 4 2HH2 ARG 4 10.701 -9.512 -8.829 29 2HH1 ARG 4 1HH2 ARG 4 10.921 -11.187 -9.214 30 2HH2 ARG 4 1HH ARG 4 12.362 -11.795 -11.030 31 H GLY 5 H GLY 5 6.672 -6.632 -7.851 32 1HA GLY 5 1HA GLY 5 6.716 -4.021 -6.524 33 2HA GLY 5 2HA GLY 5 5.163 -4.659 -7.026 34 H TRP 6 H TRP 6 4.440 -6.778 -6.159 35 HA TRP 6 HA TRP 6 5.300 -7.051 -3.414 36 2HB TRP 6 2HB TRP 6 3.237 -7.756 -3.039 37 HD1 TRP 6 HD TRP 6 2.325 -5.253 -3.853 38 HE1 TRP 6 1HE TRP 6 0.700 -4.477 -5.784 39 HE3 TRP 6 3HE TRP 6 2.674 -9.530 -6.581 40 HZ2 TRP 6 2HZ TRP 6 -0.235 -5.712 -8.180 41 HZ3 TRP 6 3HZ TRP 6 1.373 -9.663 -8.703 42 HH2 TRP 6 HH TRP 6 -0.044 -7.844 -9.513 43 H SER 7 H SER 7 4.400 -9.624 -5.793 44 HA SER 7 HA SER 7 5.314 -11.531 -6.282 45 2HB SER 7 2HB SER 7 8.104 -11.223 -6.085 46 HG SER 7 HG SER 7 6.849 -10.157 -8.386 47 H GLN 8 H GLN 8 8.127 -10.641 -4.220 48 HA GLN 8 HA GLN 8 7.100 -12.079 -1.994 49 2HB GLN 8 2HB GLN 8 9.657 -13.264 -3.041 50 2HG GLN 8 2HG GLN 8 7.203 -14.381 -1.601 51 1HE2 GLN 8 1HE2 GLN 8 8.955 -16.041 -0.063 52 2HE2 GLN 8 2HE2 GLN 8 9.489 -17.351 -1.064 53 H LYS 9 H LYS 9 7.679 -9.493 -1.911 54 HA LYS 9 HA LYS 9 10.334 -8.740 -1.633 55 2HB LYS 9 2HB LYS 9 9.330 -6.850 -0.261 56 2HG LYS 9 2HG LYS 9 7.745 -6.215 -2.314 57 2HD LYS 9 2HD LYS 9 10.664 -6.278 -1.942 58 2HE LYS 9 2HE LYS 9 10.038 -5.605 -4.760 59 1HZ LYS 9 1HZ LYS 9 12.108 -7.361 -4.621 60 2HZ LYS 9 2HZ LYS 9 12.270 -5.743 -4.538 61 H LYS 10 H LYS 10 7.954 -9.389 1.044 62 HA LYS 10 HA LYS 10 9.968 -10.879 2.452 63 2HB LYS 10 2HB LYS 10 8.959 -8.276 3.638 64 2HG LYS 10 2HG LYS 10 11.159 -10.109 4.664 65 2HD LYS 10 2HD LYS 10 9.479 -7.842 5.817 66 2HE LYS 10 2HE LYS 10 10.439 -10.183 7.199 67 1HZ LYS 10 1HZ LYS 10 11.636 -8.231 8.764 68 2HZ LYS 10 2HZ LYS 10 12.390 -9.470 8.023 69 H ILE 11 H ILE 11 7.184 -9.002 3.755 70 HA ILE 11 HA ILE 11 6.047 -11.422 4.758 71 HB ILE 11 HB ILE 11 4.856 -8.651 4.730 72 2HG1 ILE 11 2HG1 ILE 11 7.107 -8.473 5.614 73 1HG2 ILE 11 1HG2 ILE 11 3.156 -9.951 5.508 74 2HG2 ILE 11 2HG2 ILE 11 4.246 -11.217 6.122 75 3HG2 ILE 11 3HG2 ILE 11 4.039 -9.702 7.033 76 1HD1 ILE 11 1HD1 ILE 11 6.559 -7.406 7.618 77 2HD1 ILE 11 2HD1 ILE 11 4.954 -7.510 6.853 78 3HD1 ILE 11 3HD1 ILE 11 5.421 -8.684 8.107 79 H ALA 12 H ALA 12 6.278 -10.397 1.683 80 HA ALA 12 HA ALA 12 3.886 -10.093 0.532 81 1HB ALA 12 1HB ALA 12 5.231 -10.357 -1.246 82 2HB ALA 12 2HB ALA 12 6.479 -11.082 -0.204 83 3HB ALA 12 3HB ALA 12 5.248 -12.115 -0.968 84 H ARG 13 H ARG 13 5.166 -13.092 2.026 85 HA ARG 13 HA ARG 13 3.315 -14.836 1.040 86 2HB ARG 13 2HB ARG 13 3.768 -16.117 3.237 87 2HG ARG 13 2HG ARG 13 5.529 -15.466 1.063 88 2HD ARG 13 2HD ARG 13 6.760 -14.418 3.226 89 HE ARG 13 HE ARG 13 7.214 -16.188 4.691 90 1HH1 ARG 13 2HH2 ARG 13 7.803 -17.277 1.371 91 2HH1 ARG 13 1HH2 ARG 13 8.493 -18.789 1.857 92 2HH2 ARG 13 1HH ARG 13 8.672 -19.301 4.192 93 H GLU 14 H GLU 14 3.251 -13.069 4.231 94 HA GLU 14 HA GLU 14 0.727 -13.920 4.936 95 2HB GLU 14 2HB GLU 14 1.625 -11.190 5.801 96 2HG GLU 14 2HG GLU 14 0.226 -13.575 6.902 97 HE2 GLU 14 HE GLU 14 1.413 -13.034 10.276 98 H LEU 15 H LEU 15 1.797 -11.500 2.627 99 HA LEU 15 HA LEU 15 -0.564 -9.941 2.640 100 2HB LEU 15 2HB LEU 15 0.511 -9.534 0.188 101 HG LEU 15 HG LEU 15 0.411 -8.040 2.458 102 1HD1 LEU 15 1HD1 LEU 15 2.288 -8.081 3.632 103 2HD1 LEU 15 2HD1 LEU 15 3.004 -9.249 2.497 104 3HD1 LEU 15 3HD1 LEU 15 3.183 -7.503 2.206 105 1HD2 LEU 15 1HD2 LEU 15 2.074 -7.372 0.015 106 2HD2 LEU 15 2HD2 LEU 15 0.300 -7.265 0.112 107 3HD2 LEU 15 3HD2 LEU 15 1.312 -6.224 1.141 108 H LYS 16 H LYS 16 0.689 -12.416 0.286 109 HA LYS 16 HA LYS 16 -1.566 -12.551 -1.266 110 2HB LYS 16 2HB LYS 16 0.599 -13.559 -1.832 111 2HG LYS 16 2HG LYS 16 -0.056 -15.228 0.575 112 2HD LYS 16 2HD LYS 16 1.435 -17.064 -0.350 113 2HE LYS 16 2HE LYS 16 -1.353 -16.469 -1.239 114 1HZ LYS 16 1HZ LYS 16 0.452 -17.960 -2.897 115 2HZ LYS 16 2HZ LYS 16 -0.814 -18.869 -2.424 116 H THR 17 H THR 17 -0.952 -13.851 1.977 117 HA THR 17 HA THR 17 -3.136 -15.670 1.966 118 HB THR 17 HB THR 17 -1.308 -14.402 4.048 119 HG1 THR 17 1HG THR 17 -0.505 -16.548 3.916 120 1HG2 THR 17 1HG2 THR 17 -3.203 -16.684 4.680 121 2HG2 THR 17 2HG2 THR 17 -2.357 -15.590 5.800 122 3HG2 THR 17 3HG2 THR 17 -3.770 -15.009 4.888 123 H THR 18 H THR 18 -2.792 -12.192 2.519 124 HA THR 18 HA THR 18 -5.397 -12.009 3.758 125 HB THR 18 HB THR 18 -3.282 -10.571 4.240 126 HG1 THR 18 1HG THR 18 -4.809 -8.693 4.400 127 1HG2 THR 18 1HG2 THR 18 -3.757 -9.899 1.433 128 2HG2 THR 18 2HG2 THR 18 -3.987 -8.460 2.457 129 3HG2 THR 18 3HG2 THR 18 -2.444 -9.347 2.501 130 H ARG 19 H ARG 19 -5.820 -9.383 2.217 131 HA ARG 19 HA ARG 19 -7.401 -8.896 0.765 132 2HB ARG 19 2HB ARG 19 -5.414 -8.482 -0.561 133 2HG ARG 19 2HG ARG 19 -5.512 -11.397 -1.459 134 2HD ARG 19 2HD ARG 19 -2.936 -10.198 -1.733 135 HE ARG 19 HE ARG 19 -4.271 -10.370 -4.222 136 1HH1 ARG 19 2HH2 ARG 19 -3.682 -12.467 -1.426 137 2HH1 ARG 19 1HH2 ARG 19 -3.746 -13.928 -2.353 138 2HH2 ARG 19 1HH ARG 19 -4.142 -13.806 -4.714 139 H GLN 20 H GLN 20 -8.825 -10.700 1.803 140 HA GLN 20 HA GLN 20 -9.056 -13.138 0.448 141 2HB GLN 20 2HB GLN 20 -11.483 -12.233 1.861 142 2HG GLN 20 2HG GLN 20 -9.568 -14.317 2.892 143 1HE2 GLN 20 1HE2 GLN 20 -10.550 -15.236 4.509 144 2HE2 GLN 20 2HE2 GLN 20 -12.257 -15.405 4.752 145 H ASN 21 H ASN 21 -8.996 -11.762 -1.742 146 HA ASN 21 HA ASN 21 -10.012 -11.298 -3.600 147 2HB ASN 21 2HB ASN 21 -12.725 -11.925 -3.431 148 1HD2 ASN 21 1HD2 ASN 21 -12.199 -14.887 -3.150 149 2HD2 ASN 21 2HD2 ASN 21 -11.394 -15.356 -4.610 150 H VAL 22 H VAL 22 -10.090 -9.480 -1.126 151 HA VAL 22 HA VAL 22 -12.506 -7.933 -1.697 152 HB VAL 22 HB VAL 22 -10.519 -7.889 0.581 153 1HG1 VAL 22 1HG1 VAL 22 -11.132 -5.666 0.544 154 2HG1 VAL 22 2HG1 VAL 22 -12.729 -6.001 -0.167 155 3HG1 VAL 22 3HG1 VAL 22 -12.429 -6.346 1.553 156 1HG2 VAL 22 1HG2 VAL 22 -12.244 -8.823 1.923 157 2HG2 VAL 22 2HG2 VAL 22 -13.472 -8.559 0.662 158 3HG2 VAL 22 3HG2 VAL 22 -12.205 -9.787 0.428 159 H SER 23 H SER 23 -9.518 -8.250 -2.985 160 HA SER 23 HA SER 23 -9.583 -5.751 -4.169 161 2HB SER 23 2HB SER 23 -7.374 -6.044 -2.086 162 HG SER 23 HG SER 23 -7.417 -4.602 -4.314 163 H ALA 24 H ALA 24 -6.799 -7.716 -2.888 164 HA ALA 24 HA ALA 24 -5.048 -8.551 -4.025 165 1HB ALA 24 1HB ALA 24 -6.518 -10.449 -3.871 166 2HB ALA 24 2HB ALA 24 -7.476 -9.896 -5.265 167 3HB ALA 24 3HB ALA 24 -5.808 -10.469 -5.504 168 H ILE 25 H ILE 25 -4.968 -6.136 -4.945 169 HA ILE 25 HA ILE 25 -5.746 -5.547 -7.502 170 HB ILE 25 HB ILE 25 -3.335 -4.688 -5.908 171 2HG1 ILE 25 2HG1 ILE 25 -5.323 -4.022 -4.813 172 1HG2 ILE 25 1HG2 ILE 25 -4.396 -3.285 -8.363 173 2HG2 ILE 25 2HG2 ILE 25 -2.902 -2.958 -7.453 174 3HG2 ILE 25 3HG2 ILE 25 -3.048 -4.446 -8.419 175 1HD1 ILE 25 1HD1 ILE 25 -3.736 -2.165 -5.033 176 2HD1 ILE 25 2HD1 ILE 25 -4.379 -1.769 -6.645 177 3HD1 ILE 25 3HD1 ILE 25 -5.394 -1.539 -5.201 178 H GLU 26 H GLU 26 -3.277 -7.784 -6.372 179 HA GLU 26 HA GLU 26 -1.819 -7.807 -8.779 180 2HB GLU 26 2HB GLU 26 -0.829 -8.530 -6.645 181 2HG GLU 26 2HG GLU 26 -2.588 -11.010 -6.821 182 HE2 GLU 26 HE GLU 26 -1.990 -9.362 -3.963 183 H ARG 27 H ARG 27 -4.289 -10.035 -7.316 184 HA ARG 27 HA ARG 27 -4.333 -11.817 -9.392 185 2HB ARG 27 2HB ARG 27 -6.553 -10.951 -7.474 186 2HG ARG 27 2HG ARG 27 -6.510 -12.961 -9.674 187 2HD ARG 27 2HD ARG 27 -7.367 -13.650 -6.833 188 HE ARG 27 HE ARG 27 -8.891 -14.230 -9.143 189 1HH1 ARG 27 2HH2 ARG 27 -7.321 -16.044 -6.535 190 2HH1 ARG 27 1HH2 ARG 27 -8.442 -17.362 -6.610 191 2HH2 ARG 27 1HH ARG 27 -10.226 -17.298 -8.209 192 H LYS 28 H LYS 28 -6.410 -8.898 -8.774 193 HA LYS 28 HA LYS 28 -7.988 -9.169 -11.055 194 2HB LYS 28 2HB LYS 28 -7.879 -6.449 -10.513 195 2HG LYS 28 2HG LYS 28 -9.821 -8.234 -10.607 196 2HD LYS 28 2HD LYS 28 -8.992 -8.224 -7.683 197 2HE LYS 28 2HE LYS 28 -11.531 -9.556 -8.133 198 1HZ LYS 28 1HZ LYS 28 -11.581 -8.843 -6.018 199 2HZ LYS 28 2HZ LYS 28 -10.279 -7.888 -6.231 200 H ALA 29 H ALA 29 -5.087 -7.055 -10.478 201 HA ALA 29 HA ALA 29 -4.855 -5.965 -12.944 202 1HB ALA 29 1HB ALA 29 -3.417 -5.353 -11.094 203 2HB ALA 29 2HB ALA 29 -2.701 -6.981 -11.050 204 3HB ALA 29 3HB ALA 29 -2.387 -5.909 -12.435 205 H MET 30 H MET 30 -3.162 -9.018 -11.904 206 HA MET 30 HA MET 30 -2.280 -9.658 -14.422 207 2HB MET 30 2HB MET 30 -2.732 -12.114 -13.095 208 2HG MET 30 2HG MET 30 -0.362 -11.637 -12.128 209 1HE MET 30 1HE MET 30 1.432 -13.486 -14.436 210 2HE MET 30 2HE MET 30 0.770 -13.163 -12.814 211 3HE MET 30 3HE MET 30 -0.117 -14.213 -13.945 212 H GLU 31 H GLU 31 -5.491 -9.840 -13.055 213 HA GLU 31 HA GLU 31 -6.380 -11.910 -14.782 214 2HB GLU 31 2HB GLU 31 -8.633 -10.480 -13.872 215 2HG GLU 31 2HG GLU 31 -8.166 -12.356 -11.895 216 HE2 GLU 31 HE GLU 31 -8.640 -14.671 -13.457 217 H ASN 32 H ASN 32 -5.070 -10.146 -16.424 218 HA ASN 32 HA ASN 32 -5.234 -8.778 -18.113 219 2HB ASN 32 2HB ASN 32 -7.516 -9.145 -19.472 220 1HD2 ASN 32 1HD2 ASN 32 -7.562 -12.129 -19.623 221 2HD2 ASN 32 2HD2 ASN 32 -6.094 -12.593 -20.417 222 H ILE 33 H ILE 33 -6.109 -7.626 -15.568 223 HA ILE 33 HA ILE 33 -8.546 -6.339 -15.647 224 HB ILE 33 HB ILE 33 -6.369 -6.479 -13.962 225 2HG1 ILE 33 2HG1 ILE 33 -8.520 -6.520 -13.058 226 1HG2 ILE 33 1HG2 ILE 33 -5.719 -4.219 -13.418 227 2HG2 ILE 33 2HG2 ILE 33 -5.347 -4.548 -15.127 228 3HG2 ILE 33 3HG2 ILE 33 -6.770 -3.568 -14.698 229 1HD1 ILE 33 1HD1 ILE 33 -7.562 -3.689 -12.447 230 2HD1 ILE 33 2HD1 ILE 33 -8.594 -4.715 -11.423 231 3HD1 ILE 33 3HD1 ILE 33 -6.889 -5.151 -11.689 232 H GLU 34 H GLU 34 -9.021 -4.007 -16.037 233 HA GLU 34 HA GLU 34 -7.290 -2.440 -17.529 234 2HB GLU 34 2HB GLU 34 -9.515 -3.392 -19.325 235 2HG GLU 34 2HG GLU 34 -6.679 -2.334 -19.721 236 HE2 GLU 34 HE GLU 34 -8.664 -1.538 -22.085 237 H LYS 35 H LYS 35 -10.760 -3.383 -17.090 238 HA LYS 35 HA LYS 35 -11.521 -1.248 -15.620 239 2HB LYS 35 2HB LYS 35 -12.676 -0.223 -18.011 240 2HG LYS 35 2HG LYS 35 -10.800 0.703 -15.836 241 2HD LYS 35 2HD LYS 35 -11.568 2.405 -18.252 242 2HE LYS 35 2HE LYS 35 -9.617 2.943 -15.964 243 1HZ LYS 35 1HZ LYS 35 -10.248 4.264 -18.434 244 2HZ LYS 35 2HZ LYS 35 -10.415 5.261 -17.157 245 H SER 36 H SER 36 -12.620 -3.162 -14.839 246 HA SER 36 HA SER 36 -15.139 -3.468 -16.202 247 2HB SER 36 2HB SER 36 -15.052 -5.941 -16.093 248 HG SER 36 HG SER 36 -12.596 -5.521 -17.373 249 H ARG 37 H ARG 37 -13.330 -5.234 -13.581 250 HA ARG 37 HA ARG 37 -15.434 -5.487 -11.907 251 2HB ARG 37 2HB ARG 37 -13.639 -5.615 -10.063 252 2HG ARG 37 2HG ARG 37 -12.386 -7.531 -11.208 253 2HD ARG 37 2HD ARG 37 -15.408 -7.573 -11.647 254 HE ARG 37 HE ARG 37 -13.351 -9.639 -11.654 255 1HH1 ARG 37 2HH2 ARG 37 -16.747 -9.006 -10.868 256 2HH1 ARG 37 1HH2 ARG 37 -17.225 -10.661 -11.046 257 2HH2 ARG 37 1HH ARG 37 -15.582 -12.299 -11.646 258 H ASN 38 H ASN 38 -12.952 -2.835 -12.008 259 HA ASN 38 HA ASN 38 -12.957 -0.796 -11.273 260 2HB ASN 38 2HB ASN 38 -15.420 0.167 -10.694 261 1HD2 ASN 38 1HD2 ASN 38 -16.475 -0.862 -13.512 262 2HD2 ASN 38 2HD2 ASN 38 -15.647 0.165 -14.635 263 H THR 39 H THR 39 -12.431 -2.787 -9.352 264 HA THR 39 HA THR 39 -14.070 -2.410 -7.025 265 HB THR 39 HB THR 39 -11.375 -3.793 -7.500 266 HG1 THR 39 1HG THR 39 -12.787 -5.562 -7.882 267 1HG2 THR 39 1HG2 THR 39 -12.406 -3.197 -5.028 268 2HG2 THR 39 2HG2 THR 39 -13.318 -4.680 -5.395 269 3HG2 THR 39 3HG2 THR 39 -11.539 -4.713 -5.374 270 H LEU 40 H LEU 40 -10.492 -2.084 -7.102 271 HA LEU 40 HA LEU 40 -10.331 -0.331 -5.038 272 2HB LEU 40 2HB LEU 40 -8.456 -1.515 -6.059 273 HG LEU 40 HG LEU 40 -7.218 -0.616 -7.930 274 1HD1 LEU 40 1HD1 LEU 40 -10.073 -1.119 -8.805 275 2HD1 LEU 40 2HD1 LEU 40 -8.588 -1.378 -9.750 276 3HD1 LEU 40 3HD1 LEU 40 -8.921 -2.387 -8.322 277 1HD2 LEU 40 1HD2 LEU 40 -9.345 1.115 -8.990 278 2HD2 LEU 40 2HD2 LEU 40 -8.570 1.723 -7.509 279 3HD2 LEU 40 3HD2 LEU 40 -7.582 1.349 -8.941 280 H ASP 41 H ASP 41 -11.458 0.262 -8.318 281 HA ASP 41 HA ASP 41 -11.027 3.026 -8.293 282 2HB ASP 41 2HB ASP 41 -13.244 1.568 -9.789 283 HD2 ASP 41 HD ASP 41 -11.860 2.712 -12.295 284 H PHE 42 H PHE 42 -13.987 0.940 -7.833 285 HA PHE 42 HA PHE 42 -15.794 2.903 -7.256 286 2HB PHE 42 2HB PHE 42 -15.305 0.023 -6.368 287 HD1 PHE 42 1HD PHE 42 -16.024 -0.582 -4.262 288 HD2 PHE 42 2HD PHE 42 -18.308 2.244 -6.454 289 HE1 PHE 42 1HE PHE 42 -17.759 -0.577 -2.448 290 HE2 PHE 42 2HE PHE 42 -20.042 2.250 -4.640 291 HZ PHE 42 HZ PHE 42 -19.747 0.839 -2.658 292 H VAL 43 H VAL 43 -13.327 1.403 -5.123 293 HA VAL 43 HA VAL 43 -14.368 2.718 -2.794 294 HB VAL 43 HB VAL 43 -12.629 0.568 -3.403 295 1HG1 VAL 43 1HG1 VAL 43 -11.293 2.625 -1.613 296 2HG1 VAL 43 2HG1 VAL 43 -10.703 0.986 -1.980 297 3HG1 VAL 43 3HG1 VAL 43 -10.778 2.214 -3.267 298 1HG2 VAL 43 1HG2 VAL 43 -13.041 1.433 -0.576 299 2HG2 VAL 43 2HG2 VAL 43 -14.489 1.094 -1.555 300 3HG2 VAL 43 3HG2 VAL 43 -13.252 -0.165 -1.331 301 H LYS 44 H LYS 44 -12.051 3.358 -5.385 302 HA LYS 44 HA LYS 44 -10.513 5.277 -4.039 303 2HB LYS 44 2HB LYS 44 -10.643 5.883 -6.819 304 2HG LYS 44 2HG LYS 44 -8.385 4.599 -6.709 305 2HD LYS 44 2HD LYS 44 -9.210 7.075 -5.268 306 2HE LYS 44 2HE LYS 44 -6.545 7.107 -4.662 307 1HZ LYS 44 1HZ LYS 44 -8.010 7.704 -2.975 308 2HZ LYS 44 2HZ LYS 44 -8.904 6.347 -3.072 309 H SER 45 H SER 45 -13.675 5.367 -5.690 310 HA SER 45 HA SER 45 -13.909 8.048 -6.072 311 2HB SER 45 2HB SER 45 -16.052 6.059 -5.201 312 HG SER 45 HG SER 45 -16.554 8.333 -6.856 313 H LEU 46 H LEU 46 -14.557 6.087 -3.102 314 HA LEU 46 HA LEU 46 -15.747 7.847 -1.475 315 2HB LEU 46 2HB LEU 46 -13.653 6.661 0.035 316 HG LEU 46 HG LEU 46 -16.397 5.481 -0.450 317 1HD1 LEU 46 1HD1 LEU 46 -14.200 4.635 1.103 318 2HD1 LEU 46 2HD1 LEU 46 -15.407 5.277 2.243 319 3HD1 LEU 46 3HD1 LEU 46 -15.859 3.990 1.100 320 1HD2 LEU 46 1HD2 LEU 46 -15.575 7.811 1.278 321 2HD2 LEU 46 2HD2 LEU 46 -16.921 7.687 0.120 322 3HD2 LEU 46 3HD2 LEU 46 -16.992 6.807 1.666 323 H LYS 47 H LYS 47 -12.142 7.649 -1.914 324 HA LYS 47 HA LYS 47 -10.571 9.192 -1.752 325 2HB LYS 47 2HB LYS 47 -11.372 11.670 -1.944 326 2HG LYS 47 2HG LYS 47 -12.015 9.713 -4.196 327 2HD LYS 47 2HD LYS 47 -10.582 12.145 -4.909 328 2HE LYS 47 2HE LYS 47 -13.445 11.354 -5.597 329 1HZ LYS 47 1HZ LYS 47 -12.336 12.301 -7.795 330 2HZ LYS 47 2HZ LYS 47 -13.024 13.302 -6.711 331 H SER 48 H SER 48 -10.868 8.016 0.526 332 HA SER 48 HA SER 48 -11.644 9.929 2.533 333 2HB SER 48 2HB SER 48 -10.451 7.478 3.571 334 HG SER 48 HG SER 48 -12.514 7.286 4.550 335 HA PRO 49 HA PRO 49 -7.524 11.117 3.298 336 2HB PRO 49 2HB PRO 49 -8.200 13.066 4.323 337 2HG PRO 49 2HG PRO 49 -10.363 13.033 5.123 338 2HD PRO 49 2HD PRO 49 -11.273 11.413 3.770 339 H VAL 50 H VAL 50 -5.553 10.451 4.109 340 HA VAL 50 HA VAL 50 -5.646 8.699 6.394 341 HB VAL 50 HB VAL 50 -4.693 7.658 3.721 342 1HG1 VAL 50 1HG1 VAL 50 -4.619 5.477 4.966 343 2HG1 VAL 50 2HG1 VAL 50 -3.438 6.686 5.526 344 3HG1 VAL 50 3HG1 VAL 50 -4.919 6.386 6.467 345 1HG2 VAL 50 1HG2 VAL 50 -7.104 7.811 3.649 346 2HG2 VAL 50 2HG2 VAL 50 -6.642 6.107 3.867 347 3HG2 VAL 50 3HG2 VAL 50 -7.243 7.051 5.252 348 H ARG 51 H ARG 51 -3.382 8.083 7.071 349 HA ARG 51 HA ARG 51 -1.270 9.456 5.793 350 2HB ARG 51 2HB ARG 51 -1.677 11.443 6.910 351 2HG ARG 51 2HG ARG 51 -2.651 11.025 9.475 352 2HD ARG 51 2HD ARG 51 -4.557 11.127 7.118 353 HE ARG 51 HE ARG 51 -4.641 11.926 9.902 354 1HH1 ARG 51 2HH2 ARG 51 -5.818 12.844 6.689 355 2HH1 ARG 51 1HH2 ARG 51 -7.213 13.669 7.299 356 2HH2 ARG 51 1HH ARG 51 -7.583 13.757 9.665 357 H ILE 52 H ILE 52 0.783 8.633 6.507 358 HA ILE 52 HA ILE 52 0.884 7.053 8.907 359 HB ILE 52 HB ILE 52 1.919 5.249 7.081 360 2HG1 ILE 52 2HG1 ILE 52 0.764 6.514 5.267 361 1HG2 ILE 52 1HG2 ILE 52 -0.190 3.938 7.711 362 2HG2 ILE 52 2HG2 ILE 52 0.871 4.486 9.032 363 3HG2 ILE 52 3HG2 ILE 52 -0.636 5.364 8.679 364 1HD1 ILE 52 1HD1 ILE 52 -0.610 3.840 5.695 365 2HD1 ILE 52 2HD1 ILE 52 -0.063 4.575 4.169 366 3HD1 ILE 52 3HD1 ILE 52 1.128 3.936 5.327 367 H LEU 53 H LEU 53 3.063 6.645 9.581 368 HA LEU 53 HA LEU 53 4.943 8.408 8.207 369 2HB LEU 53 2HB LEU 53 4.525 7.502 10.997 370 HG LEU 53 HG LEU 53 7.258 8.059 9.850 371 1HD1 LEU 53 1HD1 LEU 53 7.299 8.197 12.712 372 2HD1 LEU 53 2HD1 LEU 53 7.842 9.398 11.516 373 3HD1 LEU 53 3HD1 LEU 53 6.155 9.408 12.083 374 1HD2 LEU 53 1HD2 LEU 53 7.280 6.305 12.085 375 2HD2 LEU 53 2HD2 LEU 53 5.954 5.796 11.011 376 3HD2 LEU 53 3HD2 LEU 53 7.611 5.935 10.375 377 H CYS 54 H CYS 54 7.014 7.691 7.538 378 HA CYS 54 HA CYS 54 7.106 4.797 7.175 379 2HB CYS 54 2HB CYS 54 8.864 6.754 5.704 380 HG CYS 54 HG CYS 54 9.821 4.620 5.083 381 H ARG 55 H ARG 55 8.906 3.610 7.945 382 HA ARG 55 HA ARG 55 10.792 5.207 9.485 383 2HB ARG 55 2HB ARG 55 10.988 2.843 10.760 384 2HG ARG 55 2HG ARG 55 8.567 3.840 11.831 385 2HD ARG 55 2HD ARG 55 10.662 5.346 12.981 386 HE ARG 55 HE ARG 55 8.931 3.356 13.830 387 1HH1 ARG 55 2HH2 ARG 55 12.399 3.930 14.276 388 2HH1 ARG 55 1HH2 ARG 55 12.458 3.137 15.815 389 2HH2 ARG 55 1HH ARG 55 10.454 2.192 16.727 390 H ARG 56 H ARG 56 12.726 3.309 10.090 391 HA ARG 56 HA ARG 56 14.150 3.167 7.759 392 2HB ARG 56 2HB ARG 56 15.332 1.197 9.261 393 2HG ARG 56 2HG ARG 56 15.603 3.934 10.434 394 2HD ARG 56 2HD ARG 56 18.015 3.300 9.354 395 HE ARG 56 HE ARG 56 16.797 2.788 11.954 396 1HH1 ARG 56 2HH2 ARG 56 19.746 2.319 10.046 397 2HH1 ARG 56 1HH2 ARG 56 20.770 2.181 11.435 398 2HH2 ARG 56 1HH ARG 56 19.810 2.352 13.625 399 H GLY 57 H GLY 57 14.203 1.709 6.053 400 1HA GLY 57 1HA GLY 57 12.236 -0.095 5.527 401 2HA GLY 57 2HA GLY 57 13.854 -0.170 4.856 402 H ASP 58 H ASP 58 15.052 -0.492 7.661 403 HA ASP 58 HA ASP 58 15.166 -3.252 7.623 404 2HB ASP 58 2HB ASP 58 15.759 -1.327 9.920 405 HD2 ASP 58 HD ASP 58 15.733 -2.838 11.663 406 H THR 59 H THR 59 13.144 -0.874 9.390 407 HA THR 59 HA THR 59 11.871 -3.046 10.897 408 HB THR 59 HB THR 59 12.742 -0.413 11.542 409 HG1 THR 59 1HG THR 59 10.921 -2.409 12.684 410 1HG2 THR 59 1HG2 THR 59 10.778 0.779 12.188 411 2HG2 THR 59 2HG2 THR 59 10.382 0.214 10.548 412 3HG2 THR 59 3HG2 THR 59 9.737 -0.647 11.966 413 H LEU 60 H LEU 60 11.605 -1.988 7.882 414 HA LEU 60 HA LEU 60 9.074 -0.992 7.543 415 2HB LEU 60 2HB LEU 60 10.239 -3.035 5.682 416 HG LEU 60 HG LEU 60 8.135 -1.797 5.052 417 1HD1 LEU 60 1HD1 LEU 60 9.991 0.598 4.984 418 2HD1 LEU 60 2HD1 LEU 60 8.318 0.547 4.378 419 3HD1 LEU 60 3HD1 LEU 60 8.641 0.343 6.116 420 1HD2 LEU 60 1HD2 LEU 60 8.945 -2.531 3.103 421 2HD2 LEU 60 2HD2 LEU 60 9.488 -0.855 2.852 422 3HD2 LEU 60 3HD2 LEU 60 10.614 -2.065 3.511 423 H ASP 61 H ASP 61 10.149 -4.404 8.002 424 HA ASP 61 HA ASP 61 7.812 -5.653 7.471 425 2HB ASP 61 2HB ASP 61 9.956 -6.782 8.047 426 HD2 ASP 61 HD ASP 61 9.867 -6.549 12.008 427 H GLU 62 H GLU 62 8.995 -4.239 10.609 428 HA GLU 62 HA GLU 62 6.616 -4.883 11.973 429 2HB GLU 62 2HB GLU 62 8.315 -2.671 13.026 430 2HG GLU 62 2HG GLU 62 8.334 -4.988 14.675 431 HE2 GLU 62 HE GLU 62 8.875 -3.367 16.092 432 H ILE 63 H ILE 63 7.845 -2.057 10.163 433 HA ILE 63 HA ILE 63 5.966 -0.200 11.074 434 HB ILE 63 HB ILE 63 8.157 -0.233 9.391 435 2HG1 ILE 63 2HG1 ILE 63 7.633 2.266 9.220 436 1HG2 ILE 63 1HG2 ILE 63 7.228 1.006 7.362 437 2HG2 ILE 63 2HG2 ILE 63 7.016 -0.761 7.407 438 3HG2 ILE 63 3HG2 ILE 63 5.649 0.310 7.802 439 1HD1 ILE 63 1HD1 ILE 63 5.714 3.132 10.144 440 2HD1 ILE 63 2HD1 ILE 63 5.050 1.537 9.716 441 3HD1 ILE 63 3HD1 ILE 63 5.609 1.852 11.376 442 H ILE 64 H ILE 64 5.751 -2.933 8.868 443 HA ILE 64 HA ILE 64 3.537 -2.064 7.387 444 HB ILE 64 HB ILE 64 4.592 -4.805 8.075 445 2HG1 ILE 64 2HG1 ILE 64 5.026 -4.433 5.421 446 1HG2 ILE 64 1HG2 ILE 64 3.060 -4.922 5.711 447 2HG2 ILE 64 2HG2 ILE 64 2.726 -5.698 7.278 448 3HG2 ILE 64 3HG2 ILE 64 2.054 -4.088 6.921 449 1HD1 ILE 64 1HD1 ILE 64 4.265 -2.066 5.501 450 2HD1 ILE 64 2HD1 ILE 64 5.450 -1.735 6.787 451 3HD1 ILE 64 3HD1 ILE 64 6.009 -2.174 5.156 452 H LYS 65 H LYS 65 3.831 -3.980 10.444 453 HA LYS 65 HA LYS 65 1.058 -4.324 10.742 454 2HB LYS 65 2HB LYS 65 2.513 -4.324 13.252 455 2HG LYS 65 2HG LYS 65 1.528 -6.648 11.538 456 2HD LYS 65 2HD LYS 65 1.848 -6.233 14.549 457 2HE LYS 65 2HE LYS 65 -0.090 -7.787 13.315 458 1HZ LYS 65 1HZ LYS 65 1.830 -9.811 14.144 459 2HZ LYS 65 2HZ LYS 65 0.692 -9.889 12.981 460 H ARG 66 H ARG 66 3.349 -1.733 11.613 461 HA ARG 66 HA ARG 66 1.514 -0.446 13.316 462 2HB ARG 66 2HB ARG 66 3.196 1.542 12.881 463 2HG ARG 66 2HG ARG 66 5.058 -0.222 13.977 464 2HD ARG 66 2HD ARG 66 2.981 1.651 14.957 465 HE ARG 66 HE ARG 66 4.015 -0.099 17.103 466 1HH1 ARG 66 2HH2 ARG 66 1.249 0.756 15.060 467 2HH1 ARG 66 1HH2 ARG 66 0.086 0.028 16.116 468 2HH2 ARG 66 1HH ARG 66 0.833 -1.034 18.132 469 H LEU 67 H LEU 67 2.310 -0.373 9.841 470 HA LEU 67 HA LEU 67 1.068 2.075 9.242 471 2HB LEU 67 2HB LEU 67 0.938 0.852 6.913 472 HG LEU 67 HG LEU 67 3.685 1.311 8.095 473 1HD1 LEU 67 1HD1 LEU 67 2.595 1.439 5.273 474 2HD1 LEU 67 2HD1 LEU 67 4.214 2.002 5.755 475 3HD1 LEU 67 3HD1 LEU 67 3.779 0.285 5.932 476 1HD2 LEU 67 1HD2 LEU 67 2.547 3.275 8.690 477 2HD2 LEU 67 2HD2 LEU 67 3.372 3.670 7.164 478 3HD2 LEU 67 3HD2 LEU 67 1.627 3.314 7.168 479 H LEU 68 H LEU 68 -0.090 -1.358 8.979 480 HA LEU 68 HA LEU 68 -2.634 -0.757 8.097 481 2HB LEU 68 2HB LEU 68 -1.883 -2.964 7.947 482 HG LEU 68 HG LEU 68 -0.466 -2.747 10.207 483 1HD1 LEU 68 1HD1 LEU 68 -2.687 -2.745 11.504 484 2HD1 LEU 68 2HD1 LEU 68 -2.733 -4.490 11.157 485 3HD1 LEU 68 3HD1 LEU 68 -1.376 -3.802 12.080 486 1HD2 LEU 68 1HD2 LEU 68 -1.460 -5.080 8.648 487 2HD2 LEU 68 2HD2 LEU 68 0.199 -4.486 8.907 488 3HD2 LEU 68 3HD2 LEU 68 -0.625 -5.411 10.185 489 H GLU 69 H GLU 69 -1.249 -0.793 11.410 490 HA GLU 69 HA GLU 69 -3.655 -0.569 12.748 491 2HB GLU 69 2HB GLU 69 -2.246 0.329 14.625 492 2HG GLU 69 2HG GLU 69 -0.361 -1.651 14.117 493 HE2 GLU 69 HE GLU 69 -1.556 -3.891 15.166 494 H GLU 70 H GLU 70 -1.837 1.728 10.821 495 HA GLU 70 HA GLU 70 -3.273 3.943 12.003 496 2HB GLU 70 2HB GLU 70 -1.816 5.289 10.365 497 2HG GLU 70 2HG GLU 70 0.292 3.977 11.814 498 HE2 GLU 70 HE GLU 70 0.421 7.509 11.807 499 H SER 71 H SER 71 -3.038 1.975 9.031 500 HA SER 71 HA SER 71 -4.936 3.697 7.717 501 2HB SER 71 2HB SER 71 -4.485 1.375 6.149 502 HG SER 71 HG SER 71 -4.506 3.387 5.156 503 H ASN 72 H ASN 72 -4.625 0.116 8.338 504 HA ASN 72 HA ASN 72 -7.074 -0.675 7.716 505 2HB ASN 72 2HB ASN 72 -6.106 -1.700 10.370 506 1HD2 ASN 72 1HD2 ASN 72 -5.262 -4.120 9.531 507 2HD2 ASN 72 2HD2 ASN 72 -6.519 -4.991 8.718 508 H LYS 73 H LYS 73 -6.048 1.226 10.561 509 HA LYS 73 HA LYS 73 -8.215 0.868 12.225 510 2HB LYS 73 2HB LYS 73 -7.255 3.599 12.284 511 2HG LYS 73 2HG LYS 73 -6.066 2.137 14.349 512 2HD LYS 73 2HD LYS 73 -7.619 4.232 14.354 513 2HE LYS 73 2HE LYS 73 -9.882 2.708 15.349 514 1HZ LYS 73 1HZ LYS 73 -10.849 4.500 14.427 515 2HZ LYS 73 2HZ LYS 73 -9.389 5.038 13.947 516 H GLU 74 H GLU 74 -7.817 2.929 9.319 517 HA GLU 74 HA GLU 74 -10.654 3.557 9.593 518 2HB GLU 74 2HB GLU 74 -9.370 5.600 9.863 519 2HG GLU 74 2HG GLU 74 -8.174 5.779 7.212 520 HE2 GLU 74 HE GLU 74 -7.540 5.201 10.576 521 H GLY 75 H GLY 75 -8.887 1.347 8.198 522 1HA GLY 75 1HA GLY 75 -10.150 1.647 5.539 523 2HA GLY 75 2HA GLY 75 -8.524 1.028 5.754 524 H ILE 76 H ILE 76 -9.560 -0.866 4.535 525 HA ILE 76 HA ILE 76 -11.267 -2.506 6.217 526 HB ILE 76 HB ILE 76 -11.828 -2.178 3.864 527 2HG1 ILE 76 2HG1 ILE 76 -11.123 -4.964 4.791 528 1HG2 ILE 76 1HG2 ILE 76 -10.406 -2.388 2.157 529 2HG2 ILE 76 2HG2 ILE 76 -9.120 -2.377 3.388 530 3HG2 ILE 76 3HG2 ILE 76 -9.749 -3.924 2.772 531 1HD1 ILE 76 1HD1 ILE 76 -13.064 -3.290 5.670 532 2HD1 ILE 76 2HD1 ILE 76 -13.899 -3.970 4.253 533 3HD1 ILE 76 3HD1 ILE 76 -13.307 -5.048 5.539 534 H HIS 77 H HIS 77 -10.706 -4.755 6.713 535 HA HIS 77 HA HIS 77 -8.296 -5.012 7.933 536 2HB HIS 77 2HB HIS 77 -9.958 -7.250 6.744 537 HD1 HIS 77 1HD HIS 77 -10.051 -8.924 9.289 538 HD2 HIS 77 2HD HIS 77 -6.541 -7.134 7.848 539 HE1 HIS 77 1HE HIS 77 -8.112 -10.252 10.283 540 H VAL 78 H VAL 78 -6.423 -4.451 6.848 541 HA VAL 78 HA VAL 78 -5.703 -6.248 4.657 542 HB VAL 78 HB VAL 78 -5.890 -3.275 4.619 543 1HG1 VAL 78 1HG1 VAL 78 -3.626 -3.209 4.232 544 2HG1 VAL 78 2HG1 VAL 78 -3.578 -4.855 3.556 545 3HG1 VAL 78 3HG1 VAL 78 -4.210 -3.508 2.578 546 1HG2 VAL 78 1HG2 VAL 78 -6.099 -5.293 2.367 547 2HG2 VAL 78 2HG2 VAL 78 -7.466 -4.846 3.416 548 3HG2 VAL 78 3HG2 VAL 78 -6.688 -3.613 2.395 549 H ILE 79 H ILE 79 -3.537 -6.888 4.675 550 HA ILE 79 HA ILE 79 -1.902 -5.684 6.793 551 HB ILE 79 HB ILE 79 -1.037 -7.918 7.314 552 2HG1 ILE 79 2HG1 ILE 79 -1.671 -8.888 5.042 553 1HG2 ILE 79 1HG2 ILE 79 -3.992 -8.155 7.686 554 2HG2 ILE 79 2HG2 ILE 79 -2.664 -8.372 8.851 555 3HG2 ILE 79 3HG2 ILE 79 -3.160 -6.734 8.362 556 1HD1 ILE 79 1HD1 ILE 79 -2.767 -10.867 6.913 557 2HD1 ILE 79 2HD1 ILE 79 -1.251 -10.910 5.982 558 3HD1 ILE 79 3HD1 ILE 79 -1.304 -10.084 7.558 559 H HIS 80 H HIS 80 -1.738 -4.636 4.302 560 HA HIS 80 HA HIS 80 0.290 -6.114 2.859 561 2HB HIS 80 2HB HIS 80 0.041 -4.258 1.202 562 HD1 HIS 80 1HD HIS 80 -2.948 -3.808 0.337 563 HD2 HIS 80 2HD HIS 80 -1.385 -7.399 1.841 564 HE1 HIS 80 1HE HIS 80 -4.487 -5.665 -0.500 565 H ASP 81 H ASP 81 2.250 -4.785 2.049 566 HA ASP 81 HA ASP 81 3.264 -3.371 4.374 567 2HB ASP 81 2HB ASP 81 5.488 -3.921 3.546 568 HD2 ASP 81 HD ASP 81 5.700 -6.926 2.498 569 H SER 82 H SER 82 4.893 -1.519 3.763 570 HA SER 82 HA SER 82 3.593 0.378 2.296 571 2HB SER 82 2HB SER 82 6.604 0.437 2.533 572 HG SER 82 HG SER 82 5.789 2.605 3.530 573 H ILE 83 H ILE 83 5.996 -2.083 1.319 574 HA ILE 83 HA ILE 83 6.628 -0.974 -1.179 575 HB ILE 83 HB ILE 83 6.648 -3.896 -0.438 576 2HG1 ILE 83 2HG1 ILE 83 7.727 -2.966 1.408 577 1HG2 ILE 83 1HG2 ILE 83 7.840 -4.224 -2.290 578 2HG2 ILE 83 2HG2 ILE 83 7.325 -2.596 -2.791 579 3HG2 ILE 83 3HG2 ILE 83 8.886 -2.821 -1.966 580 1HD1 ILE 83 1HD1 ILE 83 9.208 -4.441 -0.322 581 2HD1 ILE 83 2HD1 ILE 83 10.176 -2.947 -0.317 582 3HD1 ILE 83 3HD1 ILE 83 9.866 -3.812 1.208 583 H THR 84 H THR 84 4.056 -3.232 -0.056 584 HA THR 84 HA THR 84 3.043 -3.599 -2.717 585 HB THR 84 HB THR 84 2.453 -4.503 0.090 586 HG1 THR 84 1HG THR 84 3.474 -6.036 -1.180 587 1HG2 THR 84 1HG2 THR 84 0.446 -4.947 -2.165 588 2HG2 THR 84 2HG2 THR 84 0.272 -5.359 -0.441 589 3HG2 THR 84 3HG2 THR 84 0.211 -3.657 -0.961 590 H LEU 85 H LEU 85 2.393 -1.431 0.041 591 HA LEU 85 HA LEU 85 -0.083 -0.503 -0.810 592 2HB LEU 85 2HB LEU 85 1.011 1.644 0.444 593 HG LEU 85 HG LEU 85 -0.889 0.764 1.467 594 1HD1 LEU 85 1HD1 LEU 85 0.572 -1.877 1.519 595 2HD1 LEU 85 2HD1 LEU 85 -0.891 -1.574 2.486 596 3HD1 LEU 85 3HD1 LEU 85 -0.959 -1.460 0.712 597 1HD2 LEU 85 1HD2 LEU 85 1.566 0.771 3.063 598 2HD2 LEU 85 2HD2 LEU 85 -0.020 1.511 3.383 599 3HD2 LEU 85 3HD2 LEU 85 0.258 -0.202 3.777 600 H ALA 86 H ALA 86 3.270 0.457 -1.694 601 HA ALA 86 HA ALA 86 2.543 2.708 -3.192 602 1HB ALA 86 1HB ALA 86 4.781 2.871 -3.263 603 2HB ALA 86 2HB ALA 86 4.890 1.289 -2.455 604 3HB ALA 86 3HB ALA 86 4.894 1.384 -4.232 605 H PHE 87 H PHE 87 2.976 -0.778 -4.042 606 HA PHE 87 HA PHE 87 2.477 -0.352 -6.794 607 2HB PHE 87 2HB PHE 87 1.839 -2.978 -5.469 608 HD1 PHE 87 1HD PHE 87 4.998 -1.840 -7.038 609 HD2 PHE 87 2HD PHE 87 1.393 -4.026 -7.529 610 HE1 PHE 87 1HE PHE 87 5.848 -2.753 -9.217 611 HE2 PHE 87 2HE PHE 87 2.244 -4.937 -9.709 612 HZ PHE 87 HZ PHE 87 4.461 -4.290 -10.526 613 H LEU 88 H LEU 88 0.480 -1.658 -4.055 614 HA LEU 88 HA LEU 88 -1.799 -2.139 -5.564 615 2HB LEU 88 2HB LEU 88 -2.794 -1.593 -3.111 616 HG LEU 88 HG LEU 88 -2.997 -3.803 -4.020 617 1HD1 LEU 88 1HD1 LEU 88 -0.018 -3.755 -3.968 618 2HD1 LEU 88 2HD1 LEU 88 -0.833 -5.313 -3.696 619 3HD1 LEU 88 3HD1 LEU 88 -1.139 -4.398 -5.192 620 1HD2 LEU 88 1HD2 LEU 88 -1.779 -3.501 -1.312 621 2HD2 LEU 88 2HD2 LEU 88 -3.406 -4.042 -1.789 622 3HD2 LEU 88 3HD2 LEU 88 -2.019 -5.145 -1.951 623 H ILE 89 H ILE 89 -0.807 0.785 -3.665 624 HA ILE 89 HA ILE 89 -3.103 2.256 -4.281 625 HB ILE 89 HB ILE 89 -0.312 3.075 -3.481 626 2HG1 ILE 89 2HG1 ILE 89 -1.718 1.647 -1.918 627 1HG2 ILE 89 1HG2 ILE 89 -0.815 5.219 -3.750 628 2HG2 ILE 89 2HG2 ILE 89 -2.302 4.725 -4.594 629 3HG2 ILE 89 3HG2 ILE 89 -2.333 5.027 -2.840 630 1HD1 ILE 89 1HD1 ILE 89 -0.583 2.642 -0.221 631 2HD1 ILE 89 2HD1 ILE 89 -0.034 3.830 -1.428 632 3HD1 ILE 89 3HD1 ILE 89 -1.470 4.171 -0.431 633 H ARG 90 H ARG 90 0.197 2.223 -5.793 634 HA ARG 90 HA ARG 90 -0.053 4.095 -7.622 635 2HB ARG 90 2HB ARG 90 1.053 2.033 -9.159 636 2HG ARG 90 2HG ARG 90 2.775 3.171 -6.988 637 2HD ARG 90 2HD ARG 90 3.096 3.696 -9.939 638 HE ARG 90 HE ARG 90 4.791 3.700 -7.608 639 1HH1 ARG 90 2HH2 ARG 90 4.854 2.903 -11.060 640 2HH1 ARG 90 1HH2 ARG 90 6.557 3.178 -11.219 641 2HH2 ARG 90 1HH ARG 90 7.821 3.860 -9.300 642 H GLU 91 H GLU 91 -1.711 0.924 -7.625 643 HA GLU 91 HA GLU 91 -2.611 1.124 -10.282 644 2HB GLU 91 2HB GLU 91 -4.393 -0.578 -8.969 645 2HG GLU 91 2HG GLU 91 -2.279 -2.241 -9.538 646 HE2 GLU 91 HE GLU 91 -4.773 -0.210 -11.102 647 H LYS 92 H LYS 92 -4.048 1.858 -7.045 648 HA LYS 92 HA LYS 92 -6.435 2.880 -8.339 649 2HB LYS 92 2HB LYS 92 -6.570 1.450 -6.308 650 2HG LYS 92 2HG LYS 92 -5.973 3.637 -4.446 651 2HD LYS 92 2HD LYS 92 -4.757 1.835 -3.267 652 2HE LYS 92 2HE LYS 92 -6.737 -0.021 -3.704 653 1HZ LYS 92 1HZ LYS 92 -7.545 0.849 -1.774 654 2HZ LYS 92 2HZ LYS 92 -6.192 1.756 -1.787 655 H ALA 93 H ALA 93 -3.352 3.983 -7.951 656 HA ALA 93 HA ALA 93 -4.034 6.637 -8.461 657 1HB ALA 93 1HB ALA 93 -3.828 7.743 -6.448 658 2HB ALA 93 2HB ALA 93 -4.531 6.216 -5.864 659 3HB ALA 93 3HB ALA 93 -2.776 6.491 -5.743 660 H SER 94 H SER 94 -2.526 6.010 -10.146 661 HA SER 94 HA SER 94 0.051 5.140 -9.482 662 2HB SER 94 2HB SER 94 -0.957 4.701 -11.681 663 HG SER 94 HG SER 94 -1.207 7.510 -11.695 664 H HIS 95 H HIS 95 -1.461 8.105 -8.973 665 HA HIS 95 HA HIS 95 0.933 9.665 -9.511 666 2HB HIS 95 2HB HIS 95 -1.910 10.409 -8.802 667 HD1 HIS 95 1HD HIS 95 -2.177 12.574 -7.607 668 HD2 HIS 95 2HD HIS 95 1.429 12.404 -9.745 669 HE1 HIS 95 1HE HIS 95 -0.995 14.798 -7.195 670 H ARG 96 H ARG 96 -1.495 9.732 -6.815 671 HA ARG 96 HA ARG 96 0.497 10.496 -5.003 672 2HB ARG 96 2HB ARG 96 -1.889 11.123 -4.721 673 2HG ARG 96 2HG ARG 96 -2.361 8.389 -5.285 674 2HD ARG 96 2HD ARG 96 -3.220 9.114 -2.439 675 HE ARG 96 HE ARG 96 -4.535 7.428 -4.228 676 1HH1 ARG 96 2HH2 ARG 96 -2.854 6.964 -1.145 677 2HH1 ARG 96 1HH2 ARG 96 -3.816 5.600 -0.683 678 2HH2 ARG 96 1HH ARG 96 -5.547 4.833 -2.153 679 H ILE 97 H ILE 97 2.131 9.051 -4.473 680 HA ILE 97 HA ILE 97 1.256 6.397 -3.583 681 HB ILE 97 HB ILE 97 3.785 6.918 -5.139 682 2HG1 ILE 97 2HG1 ILE 97 1.434 7.255 -6.322 683 1HG2 ILE 97 1HG2 ILE 97 3.456 4.348 -5.451 684 2HG2 ILE 97 2HG2 ILE 97 4.149 4.981 -3.939 685 3HG2 ILE 97 3HG2 ILE 97 2.439 4.490 -3.998 686 1HD1 ILE 97 1HD1 ILE 97 3.766 5.602 -7.389 687 2HD1 ILE 97 2HD1 ILE 97 2.464 6.261 -8.409 688 3HD1 ILE 97 3HD1 ILE 97 3.549 7.363 -7.527 689 H VAL 98 H VAL 98 3.154 5.347 -2.245 690 HA VAL 98 HA VAL 98 4.263 7.483 -0.558 691 HB VAL 98 HB VAL 98 2.608 6.468 0.722 692 1HG1 VAL 98 1HG1 VAL 98 1.838 4.635 -0.482 693 2HG1 VAL 98 2HG1 VAL 98 3.457 3.908 -0.615 694 3HG1 VAL 98 3HG1 VAL 98 2.587 3.866 0.937 695 1HG2 VAL 98 1HG2 VAL 98 4.824 4.648 1.583 696 2HG2 VAL 98 2HG2 VAL 98 5.111 6.405 1.600 697 3HG2 VAL 98 3HG2 VAL 98 3.775 5.712 2.551 698 H HIS 99 H HIS 99 6.446 7.411 -0.103 699 HA HIS 99 HA HIS 99 7.901 5.335 -1.531 700 2HB HIS 99 2HB HIS 99 8.889 7.939 -0.334 701 HD1 HIS 99 1HD HIS 99 11.202 6.950 0.350 702 HD2 HIS 99 2HD HIS 99 10.183 6.328 -3.670 703 HE1 HIS 99 1HE HIS 99 13.333 6.164 -0.814 704 H ARG 100 H ARG 100 10.075 4.685 -0.371 705 HA ARG 100 HA ARG 100 9.669 4.542 2.480 706 2HB ARG 100 2HB ARG 100 10.287 2.029 2.358 707 2HG ARG 100 2HG ARG 100 7.771 3.349 2.128 708 2HD ARG 100 2HD ARG 100 6.443 1.665 0.872 709 HE ARG 100 HE ARG 100 7.080 3.493 -0.579 710 1HH1 ARG 100 2HH2 ARG 100 9.348 0.774 -0.698 711 2HH1 ARG 100 1HH2 ARG 100 10.072 1.281 -2.187 712 2HH2 ARG 100 1HH ARG 100 9.283 3.277 -3.254 713 H VAL 101 H VAL 101 11.590 5.248 3.354 714 HA VAL 101 HA VAL 101 14.040 4.573 1.876 715 HB VAL 101 HB VAL 101 13.599 6.925 1.757 716 1HG1 VAL 101 1HG1 VAL 101 12.872 6.592 4.619 717 2HG1 VAL 101 2HG1 VAL 101 13.716 8.099 4.188 718 3HG1 VAL 101 3HG1 VAL 101 12.191 7.668 3.376 719 1HG2 VAL 101 1HG2 VAL 101 15.679 7.696 2.401 720 2HG2 VAL 101 2HG2 VAL 101 15.655 6.809 3.944 721 3HG2 VAL 101 3HG2 VAL 101 15.948 5.937 2.420 722 H VAL 102 H VAL 102 15.901 3.968 3.136 723 HA VAL 102 HA VAL 102 15.227 3.248 5.903 724 HB VAL 102 HB VAL 102 15.182 1.334 4.284 725 1HG1 VAL 102 1HG1 VAL 102 16.930 0.749 2.974 726 2HG1 VAL 102 2HG1 VAL 102 17.405 2.451 3.178 727 3HG1 VAL 102 3HG1 VAL 102 18.137 1.195 4.204 728 1HG2 VAL 102 1HG2 VAL 102 16.030 1.429 6.862 729 2HG2 VAL 102 2HG2 VAL 102 15.856 -0.074 5.923 730 3HG2 VAL 102 3HG2 VAL 102 17.452 0.698 6.080 731 H LYS 103 H LYS 103 16.203 5.298 6.528 732 HA LYS 103 HA LYS 103 18.878 5.042 7.220 733 2HB LYS 103 2HB LYS 103 18.692 7.164 5.114 734 2HG LYS 103 2HG LYS 103 20.785 5.561 6.567 735 2HD LYS 103 2HD LYS 103 20.791 5.648 3.742 736 2HE LYS 103 2HE LYS 103 21.408 8.113 4.010 737 1HZ LYS 103 1HZ LYS 103 23.309 8.680 5.134 738 2HZ LYS 103 2HZ LYS 103 22.947 7.366 6.026 739 H SER 104 H SER 104 16.107 7.165 6.407 740 HA SER 104 HA SER 104 16.610 8.491 8.943 741 2HB SER 104 2HB SER 104 15.736 10.636 7.792 742 HG SER 104 HG SER 104 18.144 9.848 8.175 743 H ASP 105 H ASP 105 14.458 9.983 9.376 744 HA ASP 105 HA ASP 105 12.337 8.063 9.265 745 2HB ASP 105 2HB ASP 105 11.844 10.793 10.378 746 HD2 ASP 105 HD ASP 105 11.686 7.563 12.504 747 H PHE 106 H PHE 106 10.397 8.349 8.047 748 HA PHE 106 HA PHE 106 10.163 10.859 6.560 749 2HB PHE 106 2HB PHE 106 9.159 8.659 4.996 750 HD1 PHE 106 1HD PHE 106 9.409 9.310 2.805 751 HD2 PHE 106 2HD PHE 106 12.446 10.345 5.583 752 HE1 PHE 106 1HE PHE 106 10.628 10.563 1.005 753 HE2 PHE 106 2HE PHE 106 13.665 11.599 3.782 754 HZ PHE 106 HZ PHE 106 12.742 11.693 1.515 755 H GLU 107 H GLU 107 7.880 10.935 5.444 756 HA GLU 107 HA GLU 107 5.902 9.410 6.826 757 2HB GLU 107 2HB GLU 107 4.684 11.465 7.656 758 2HG GLU 107 2HG GLU 107 7.491 11.266 8.827 759 HE2 GLU 107 HE GLU 107 5.686 11.572 11.865 760 H ILE 108 H ILE 108 3.947 9.308 5.645 761 HA ILE 108 HA ILE 108 3.623 11.156 3.434 762 HB ILE 108 HB ILE 108 3.355 8.289 2.726 763 2HG1 ILE 108 2HG1 ILE 108 6.020 9.660 3.126 764 1HG2 ILE 108 1HG2 ILE 108 3.847 10.902 1.380 765 2HG2 ILE 108 2HG2 ILE 108 4.507 9.435 0.619 766 3HG2 ILE 108 3HG2 ILE 108 2.760 9.563 0.938 767 1HD1 ILE 108 1HD1 ILE 108 6.196 8.195 4.839 768 2HD1 ILE 108 2HD1 ILE 108 4.538 7.634 4.520 769 3HD1 ILE 108 3HD1 ILE 108 5.914 6.841 3.719 770 H GLY 109 H GLY 109 1.450 11.440 2.839 771 1HA GLY 109 1HA GLY 109 -0.592 9.660 3.770 772 2HA GLY 109 2HA GLY 109 -0.488 11.113 4.742 773 H VAL 110 H VAL 110 -2.790 10.520 3.202 774 HA VAL 110 HA VAL 110 -2.649 12.713 1.265 775 HB VAL 110 HB VAL 110 -2.877 9.996 0.619 776 1HG1 VAL 110 1HG1 VAL 110 -5.514 11.339 -0.012 777 2HG1 VAL 110 2HG1 VAL 110 -5.054 9.633 -0.226 778 3HG1 VAL 110 3HG1 VAL 110 -5.295 10.292 1.410 779 1HG2 VAL 110 1HG2 VAL 110 -3.854 12.015 -1.339 780 2HG2 VAL 110 2HG2 VAL 110 -2.233 12.280 -0.654 781 3HG2 VAL 110 3HG2 VAL 110 -2.601 10.761 -1.506 782 H THR 111 H THR 111 -5.002 13.428 0.688 783 HA THR 111 HA THR 111 -6.586 13.300 3.171 784 HB THR 111 HB THR 111 -7.249 15.631 2.620 785 HG1 THR 111 1HG THR 111 -6.536 16.460 0.617 786 1HG2 THR 111 1HG2 THR 111 -5.161 15.574 3.891 787 2HG2 THR 111 2HG2 THR 111 -4.237 15.111 2.441 788 3HG2 THR 111 3HG2 THR 111 -4.940 16.741 2.567 789 H ARG 112 H ARG 112 -6.498 12.946 -0.343 790 HA ARG 112 HA ARG 112 -9.121 11.793 -0.139 791 2HB ARG 112 2HB ARG 112 -10.233 13.380 -1.344 792 2HG ARG 112 2HG ARG 112 -7.577 14.808 -0.939 793 2HD ARG 112 2HD ARG 112 -8.991 15.594 -3.020 794 HE ARG 112 HE ARG 112 -11.000 15.809 -1.046 795 1HH1 ARG 112 2HH2 ARG 112 -9.501 17.921 -3.464 796 2HH1 ARG 112 1HH2 ARG 112 -10.914 18.902 -3.665 797 2HH2 ARG 112 1HH ARG 112 -12.880 18.402 -2.389 798 H ASP 113 H ASP 113 -6.369 12.754 -2.304 799 HA ASP 113 HA ASP 113 -5.408 10.410 -2.935 800 2HB ASP 113 2HB ASP 113 -8.035 10.770 -4.327 801 HD2 ASP 113 HD ASP 113 -5.665 8.357 -5.976 802 H GLY 114 H GLY 114 -6.557 13.575 -3.909 803 1HA GLY 114 1HA GLY 114 -4.970 13.804 -6.303 804 2HA GLY 114 2HA GLY 114 -5.893 15.059 -5.501 805 H GLU 115 H GLU 115 -4.966 15.725 -3.216 806 HA GLU 115 HA GLU 115 -2.247 16.422 -3.716 807 2HB GLU 115 2HB GLU 115 -2.494 17.792 -1.648 808 2HG GLU 115 2HG GLU 115 -4.672 19.038 -2.433 809 HE2 GLU 115 HE GLU 115 -3.833 20.190 -5.159 810 H ILE 116 H ILE 116 -0.442 15.988 -2.253 811 HA ILE 116 HA ILE 116 -0.923 13.704 -0.477 812 HB ILE 116 HB ILE 116 1.285 12.818 -1.209 813 2HG1 ILE 116 2HG1 ILE 116 1.235 15.254 -2.834 814 1HG2 ILE 116 1HG2 ILE 116 -0.820 11.848 -1.983 815 2HG2 ILE 116 2HG2 ILE 116 -0.861 12.995 -3.342 816 3HG2 ILE 116 3HG2 ILE 116 0.430 11.774 -3.249 817 1HD1 ILE 116 1HD1 ILE 116 3.577 15.040 -2.659 818 2HD1 ILE 116 2HD1 ILE 116 3.010 14.272 -1.157 819 3HD1 ILE 116 3HD1 ILE 116 3.501 13.265 -2.540 820 H ILE 117 H ILE 117 0.787 13.481 1.227 821 HA ILE 117 HA ILE 117 2.099 16.045 1.763 822 HB ILE 117 HB ILE 117 1.485 15.684 4.181 823 2HG1 ILE 117 2HG1 ILE 117 0.684 13.243 3.564 824 1HG2 ILE 117 1HG2 ILE 117 -0.201 16.670 1.978 825 2HG2 ILE 117 2HG2 ILE 117 -1.069 16.349 3.498 826 3HG2 ILE 117 3HG2 ILE 117 0.317 17.466 3.484 827 1HD1 ILE 117 1HD1 ILE 117 0.664 13.880 5.850 828 2HD1 ILE 117 2HD1 ILE 117 -0.511 15.187 5.566 829 3HD1 ILE 117 3HD1 ILE 117 -1.038 13.487 5.507 830 H VAL 118 H VAL 118 4.152 15.888 2.680 831 HA VAL 118 HA VAL 118 5.043 13.216 3.436 832 HB VAL 118 HB VAL 118 5.533 13.474 1.049 833 1HG1 VAL 118 1HG1 VAL 118 7.293 15.816 1.842 834 2HG1 VAL 118 2HG1 VAL 118 7.036 15.163 0.206 835 3HG1 VAL 118 3HG1 VAL 118 5.700 15.969 1.063 836 1HG2 VAL 118 1HG2 VAL 118 7.576 12.479 1.207 837 2HG2 VAL 118 2HG2 VAL 118 8.235 13.742 2.276 838 3HG2 VAL 118 3HG2 VAL 118 7.166 12.481 2.938 839 H ASP 119 H ASP 119 7.074 13.282 4.712 840 HA ASP 119 HA ASP 119 8.098 15.776 5.490 841 2HB ASP 119 2HB ASP 119 6.680 14.293 7.727 842 HD2 ASP 119 HD ASP 119 8.395 16.391 9.559 843 H LEU 120 H LEU 120 9.701 15.364 7.466 844 HA LEU 120 HA LEU 120 10.757 12.647 7.152 845 2HB LEU 120 2HB LEU 120 11.958 15.082 6.707 846 HG LEU 120 HG LEU 120 12.162 15.035 9.390 847 1HD1 LEU 120 1HD1 LEU 120 14.843 14.088 9.179 848 2HD1 LEU 120 2HD1 LEU 120 13.522 13.491 10.212 849 3HD1 LEU 120 3HD1 LEU 120 13.752 12.815 8.581 850 1HD2 LEU 120 1HD2 LEU 120 12.930 16.906 8.225 851 2HD2 LEU 120 2HD2 LEU 120 14.385 16.277 9.035 852 3HD2 LEU 120 3HD2 LEU 120 14.125 15.964 7.302 853 H ASN 121 H ASN 121 8.581 13.937 9.027 854 HA ASN 121 HA ASN 121 7.888 13.620 11.056 855 2HB ASN 121 2HB ASN 121 10.124 11.553 11.013 856 1HD2 ASN 121 1HD2 ASN 121 7.202 12.335 12.900 857 2HD2 ASN 121 2HD2 ASN 121 7.847 11.968 14.465 858 H SER 122 H SER 122 8.222 14.628 13.135 859 HA SER 122 HA SER 122 10.163 16.519 13.305 860 2HB SER 122 2HB SER 122 8.005 16.295 14.664 861 HG SER 122 HG SER 122 8.949 14.083 15.537 Start of MODEL 20 1 H MET 1 H MET 1 16.467 -4.243 -8.868 2 HA MET 1 HA MET 1 18.228 -2.600 -7.224 3 2HB MET 1 2HB MET 1 16.122 -0.976 -7.279 4 2HG MET 1 2HG MET 1 18.152 -1.405 -9.492 5 1HE MET 1 1HE MET 1 16.755 2.642 -10.255 6 2HE MET 1 2HE MET 1 17.373 2.034 -8.700 7 3HE MET 1 3HE MET 1 18.346 1.847 -10.178 8 H ARG 2 H ARG 2 14.696 -2.441 -7.023 9 HA ARG 2 HA ARG 2 13.937 -4.455 -5.550 10 2HB ARG 2 2HB ARG 2 14.349 -3.103 -3.132 11 2HG ARG 2 2HG ARG 2 16.499 -4.996 -3.553 12 2HD ARG 2 2HD ARG 2 13.768 -5.512 -2.297 13 HE ARG 2 HE ARG 2 14.955 -7.429 -1.713 14 1HH1 ARG 2 2HH2 ARG 2 17.216 -4.701 -1.739 15 2HH1 ARG 2 1HH2 ARG 2 18.553 -5.645 -1.171 16 2HH2 ARG 2 1HH ARG 2 18.238 -7.977 -0.721 17 H GLU 3 H GLU 3 12.804 -2.493 -7.181 18 HA GLU 3 HA GLU 3 11.288 -0.834 -5.336 19 2HB GLU 3 2HB GLU 3 10.593 -0.031 -7.915 20 2HG GLU 3 2HG GLU 3 12.150 0.959 -5.656 21 HE2 GLU 3 HE GLU 3 13.248 2.033 -9.228 22 H ARG 4 H ARG 4 9.147 -1.269 -4.939 23 HA ARG 4 HA ARG 4 7.307 -2.419 -4.899 24 2HB ARG 4 2HB ARG 4 6.084 -2.598 -7.145 25 2HG ARG 4 2HG ARG 4 7.060 -0.217 -5.780 26 2HD ARG 4 2HD ARG 4 6.218 0.403 -8.611 27 HE ARG 4 HE ARG 4 6.675 2.482 -7.674 28 1HH1 ARG 4 2HH2 ARG 4 8.927 0.137 -6.267 29 2HH1 ARG 4 1HH2 ARG 4 9.752 1.319 -5.307 30 2HH2 ARG 4 1HH ARG 4 9.050 3.608 -5.405 31 H GLY 5 H GLY 5 6.026 -4.385 -6.374 32 1HA GLY 5 1HA GLY 5 6.312 -6.465 -7.403 33 2HA GLY 5 2HA GLY 5 8.011 -6.462 -6.971 34 H TRP 6 H TRP 6 4.698 -7.070 -5.842 35 HA TRP 6 HA TRP 6 5.696 -7.934 -3.242 36 2HB TRP 6 2HB TRP 6 3.808 -6.824 -2.754 37 HD1 TRP 6 HD TRP 6 2.726 -4.855 -4.094 38 HE1 TRP 6 1HE TRP 6 1.177 -4.520 -6.206 39 HE3 TRP 6 3HE TRP 6 2.664 -9.747 -5.478 40 HZ2 TRP 6 2HZ TRP 6 0.125 -6.300 -8.173 41 HZ3 TRP 6 3HZ TRP 6 1.352 -10.364 -7.507 42 HH2 TRP 6 HH TRP 6 0.112 -8.732 -8.837 43 H SER 7 H SER 7 6.457 -9.289 -5.792 44 HA SER 7 HA SER 7 4.874 -11.532 -6.182 45 2HB SER 7 2HB SER 7 7.504 -12.282 -6.850 46 HG SER 7 HG SER 7 5.944 -12.509 -8.415 47 H GLN 8 H GLN 8 7.521 -10.764 -3.905 48 HA GLN 8 HA GLN 8 6.786 -12.544 -2.025 49 2HB GLN 8 2HB GLN 8 9.149 -13.977 -2.950 50 2HG GLN 8 2HG GLN 8 6.249 -14.879 -2.620 51 1HE2 GLN 8 1HE2 GLN 8 6.359 -17.116 -1.562 52 2HE2 GLN 8 2HE2 GLN 8 7.423 -18.271 -2.293 53 H LYS 9 H LYS 9 7.465 -10.327 -1.235 54 HA LYS 9 HA LYS 9 10.305 -9.844 -1.186 55 2HB LYS 9 2HB LYS 9 8.450 -8.215 0.466 56 2HG LYS 9 2HG LYS 9 9.711 -6.408 -0.832 57 2HD LYS 9 2HD LYS 9 10.911 -8.400 1.050 58 2HE LYS 9 2HE LYS 9 12.550 -6.497 -0.667 59 1HZ LYS 9 1HZ LYS 9 13.012 -7.362 2.110 60 2HZ LYS 9 2HZ LYS 9 14.293 -7.163 1.123 61 H LYS 10 H LYS 10 7.916 -9.753 1.533 62 HA LYS 10 HA LYS 10 9.602 -11.660 2.958 63 2HB LYS 10 2HB LYS 10 8.840 -8.925 4.024 64 2HG LYS 10 2HG LYS 10 10.211 -11.336 5.294 65 2HD LYS 10 2HD LYS 10 9.842 -8.928 6.958 66 2HE LYS 10 2HE LYS 10 12.573 -9.956 6.567 67 1HZ LYS 10 1HZ LYS 10 10.816 -9.187 8.667 68 2HZ LYS 10 2HZ LYS 10 11.536 -10.596 9.048 69 H ILE 11 H ILE 11 6.978 -9.531 4.181 70 HA ILE 11 HA ILE 11 5.531 -11.853 5.021 71 HB ILE 11 HB ILE 11 4.682 -8.961 5.134 72 2HG1 ILE 11 2HG1 ILE 11 6.903 -9.099 6.089 73 1HG2 ILE 11 1HG2 ILE 11 3.421 -9.737 7.125 74 2HG2 ILE 11 2HG2 ILE 11 2.885 -10.495 5.607 75 3HG2 ILE 11 3HG2 ILE 11 3.905 -11.406 6.744 76 1HD1 ILE 11 1HD1 ILE 11 4.720 -8.101 7.386 77 2HD1 ILE 11 2HD1 ILE 11 5.285 -9.283 8.592 78 3HD1 ILE 11 3HD1 ILE 11 6.374 -7.991 8.033 79 H ALA 12 H ALA 12 5.980 -10.605 2.028 80 HA ALA 12 HA ALA 12 3.624 -10.003 0.882 81 1HB ALA 12 1HB ALA 12 6.181 -10.945 0.077 82 2HB ALA 12 2HB ALA 12 4.980 -11.955 -0.764 83 3HB ALA 12 3HB ALA 12 4.931 -10.183 -0.935 84 H ARG 13 H ARG 13 4.688 -13.188 2.112 85 HA ARG 13 HA ARG 13 2.818 -14.743 0.882 86 2HB ARG 13 2HB ARG 13 3.279 -15.516 3.695 87 2HG ARG 13 2HG ARG 13 4.748 -17.243 2.187 88 2HD ARG 13 2HD ARG 13 2.012 -17.936 1.654 89 HE ARG 13 HE ARG 13 4.206 -19.003 3.106 90 1HH1 ARG 13 2HH2 ARG 13 0.672 -18.941 3.340 91 2HH1 ARG 13 1HH2 ARG 13 0.577 -20.455 4.175 92 2HH2 ARG 13 1HH ARG 13 2.593 -21.649 4.674 93 H GLU 14 H GLU 14 2.654 -13.231 4.196 94 HA GLU 14 HA GLU 14 0.066 -14.029 4.708 95 2HB GLU 14 2HB GLU 14 0.621 -11.481 5.974 96 2HG GLU 14 2HG GLU 14 0.503 -14.401 6.781 97 HE2 GLU 14 HE GLU 14 -0.180 -12.183 9.135 98 H LEU 15 H LEU 15 1.377 -11.339 2.801 99 HA LEU 15 HA LEU 15 -0.960 -9.771 2.770 100 2HB LEU 15 2HB LEU 15 1.018 -9.807 0.526 101 HG LEU 15 HG LEU 15 -0.661 -7.756 1.891 102 1HD1 LEU 15 1HD1 LEU 15 0.966 -6.016 0.822 103 2HD1 LEU 15 2HD1 LEU 15 1.303 -6.678 2.441 104 3HD1 LEU 15 3HD1 LEU 15 2.177 -7.306 1.022 105 1HD2 LEU 15 1HD2 LEU 15 -1.264 -8.649 -0.316 106 2HD2 LEU 15 2HD2 LEU 15 -0.917 -6.905 -0.374 107 3HD2 LEU 15 3HD2 LEU 15 0.287 -8.073 -0.970 108 H LYS 16 H LYS 16 0.386 -12.218 0.453 109 HA LYS 16 HA LYS 16 -1.675 -12.075 -1.381 110 2HB LYS 16 2HB LYS 16 -0.901 -14.628 -1.659 111 2HG LYS 16 2HG LYS 16 0.432 -12.011 -2.369 112 2HD LYS 16 2HD LYS 16 1.840 -14.527 -2.186 113 2HE LYS 16 2HE LYS 16 1.967 -13.484 -5.011 114 1HZ LYS 16 1HZ LYS 16 2.837 -15.780 -3.511 115 2HZ LYS 16 2HZ LYS 16 2.148 -16.198 -4.925 116 H THR 17 H THR 17 -1.415 -13.813 1.739 117 HA THR 17 HA THR 17 -3.682 -15.431 1.413 118 HB THR 17 HB THR 17 -1.854 -14.499 3.589 119 HG1 THR 17 1HG THR 17 -1.540 -16.690 3.395 120 1HG2 THR 17 1HG2 THR 17 -3.741 -14.147 4.971 121 2HG2 THR 17 2HG2 THR 17 -4.746 -15.291 4.050 122 3HG2 THR 17 3HG2 THR 17 -3.492 -15.899 5.158 123 H THR 18 H THR 18 -3.315 -11.993 2.110 124 HA THR 18 HA THR 18 -6.079 -11.799 2.991 125 HB THR 18 HB THR 18 -3.745 -10.465 3.646 126 HG1 THR 18 1HG THR 18 -5.537 -8.828 4.348 127 1HG2 THR 18 1HG2 THR 18 -5.413 -8.522 1.986 128 2HG2 THR 18 2HG2 THR 18 -3.850 -8.219 2.779 129 3HG2 THR 18 3HG2 THR 18 -3.930 -9.266 1.343 130 H ARG 19 H ARG 19 -7.788 -11.312 1.752 131 HA ARG 19 HA ARG 19 -7.713 -9.638 -0.392 132 2HB ARG 19 2HB ARG 19 -7.482 -12.581 -1.187 133 2HG ARG 19 2HG ARG 19 -7.530 -10.861 -3.469 134 2HD ARG 19 2HD ARG 19 -8.983 -13.202 -2.388 135 HE ARG 19 HE ARG 19 -10.709 -11.211 -3.211 136 1HH1 ARG 19 2HH2 ARG 19 -9.776 -14.328 -4.615 137 2HH1 ARG 19 1HH2 ARG 19 -11.296 -14.566 -5.409 138 2HH2 ARG 19 1HH ARG 19 -13.010 -12.906 -5.187 139 H GLN 20 H GLN 20 -9.370 -10.180 1.850 140 HA GLN 20 HA GLN 20 -11.553 -11.791 1.141 141 2HB GLN 20 2HB GLN 20 -12.481 -9.970 3.058 142 2HG GLN 20 2HG GLN 20 -10.904 -12.563 3.412 143 1HE2 GLN 20 1HE2 GLN 20 -13.922 -11.473 4.815 144 2HE2 GLN 20 2HE2 GLN 20 -13.408 -11.386 6.467 145 H ASN 21 H ASN 21 -11.455 -10.605 -1.163 146 HA ASN 21 HA ASN 21 -12.591 -9.479 -2.629 147 2HB ASN 21 2HB ASN 21 -14.689 -8.116 -1.264 148 1HD2 ASN 21 1HD2 ASN 21 -16.024 -10.906 -0.944 149 2HD2 ASN 21 2HD2 ASN 21 -16.458 -11.354 -2.560 150 H VAL 22 H VAL 22 -10.466 -8.257 -0.853 151 HA VAL 22 HA VAL 22 -11.314 -5.489 -0.626 152 HB VAL 22 HB VAL 22 -9.964 -6.856 1.090 153 1HG1 VAL 22 1HG1 VAL 22 -7.426 -5.970 -0.009 154 2HG1 VAL 22 2HG1 VAL 22 -7.904 -7.572 0.602 155 3HG1 VAL 22 3HG1 VAL 22 -8.226 -7.133 -1.094 156 1HG2 VAL 22 1HG2 VAL 22 -8.344 -4.549 1.034 157 2HG2 VAL 22 2HG2 VAL 22 -9.900 -4.073 0.312 158 3HG2 VAL 22 3HG2 VAL 22 -9.856 -4.795 1.938 159 H SER 23 H SER 23 -8.378 -4.706 -1.105 160 HA SER 23 HA SER 23 -8.662 -3.723 -3.601 161 2HB SER 23 2HB SER 23 -5.863 -4.430 -2.971 162 HG SER 23 HG SER 23 -6.163 -1.868 -2.631 163 H ALA 24 H ALA 24 -6.560 -6.571 -2.716 164 HA ALA 24 HA ALA 24 -5.725 -8.199 -3.989 165 1HB ALA 24 1HB ALA 24 -7.435 -9.611 -5.007 166 2HB ALA 24 2HB ALA 24 -8.060 -8.935 -3.483 167 3HB ALA 24 3HB ALA 24 -8.582 -8.250 -5.042 168 H ILE 25 H ILE 25 -4.805 -5.917 -5.050 169 HA ILE 25 HA ILE 25 -5.613 -5.604 -7.775 170 HB ILE 25 HB ILE 25 -3.364 -4.459 -6.124 171 2HG1 ILE 25 2HG1 ILE 25 -5.595 -3.727 -5.457 172 1HG2 ILE 25 1HG2 ILE 25 -3.489 -4.630 -8.940 173 2HG2 ILE 25 2HG2 ILE 25 -3.903 -2.953 -8.511 174 3HG2 ILE 25 3HG2 ILE 25 -2.374 -3.667 -7.943 175 1HD1 ILE 25 1HD1 ILE 25 -3.694 -1.864 -6.848 176 2HD1 ILE 25 2HD1 ILE 25 -5.288 -1.217 -6.391 177 3HD1 ILE 25 3HD1 ILE 25 -4.213 -1.894 -5.146 178 H GLU 26 H GLU 26 -3.208 -7.465 -5.950 179 HA GLU 26 HA GLU 26 -1.523 -7.981 -8.111 180 2HB GLU 26 2HB GLU 26 -0.575 -8.408 -6.006 181 2HG GLU 26 2HG GLU 26 -3.300 -9.281 -5.344 182 HE2 GLU 26 HE GLU 26 -3.407 -10.684 -3.283 183 H ARG 27 H ARG 27 -4.426 -9.646 -6.778 184 HA ARG 27 HA ARG 27 -4.166 -11.831 -8.530 185 2HB ARG 27 2HB ARG 27 -6.625 -12.229 -7.782 186 2HG ARG 27 2HG ARG 27 -5.906 -12.594 -5.335 187 2HD ARG 27 2HD ARG 27 -4.662 -13.737 -7.795 188 HE ARG 27 HE ARG 27 -2.957 -13.446 -5.583 189 1HH1 ARG 27 2HH2 ARG 27 -4.336 -16.159 -7.397 190 2HH1 ARG 27 1HH2 ARG 27 -3.007 -17.218 -7.064 191 2HH2 ARG 27 1HH ARG 27 -1.175 -16.423 -5.739 192 H LYS 28 H LYS 28 -6.306 -8.898 -8.384 193 HA LYS 28 HA LYS 28 -7.784 -9.433 -10.661 194 2HB LYS 28 2HB LYS 28 -7.833 -6.762 -10.635 195 2HG LYS 28 2HG LYS 28 -9.113 -8.865 -8.919 196 2HD LYS 28 2HD LYS 28 -9.932 -5.995 -8.478 197 2HE LYS 28 2HE LYS 28 -10.683 -6.916 -6.309 198 1HZ LYS 28 1HZ LYS 28 -12.460 -7.482 -7.551 199 2HZ LYS 28 2HZ LYS 28 -11.565 -7.950 -8.828 200 H ALA 29 H ALA 29 -4.614 -7.761 -10.244 201 HA ALA 29 HA ALA 29 -4.341 -6.945 -12.893 202 1HB ALA 29 1HB ALA 29 -1.959 -6.728 -12.308 203 2HB ALA 29 2HB ALA 29 -2.988 -6.130 -10.984 204 3HB ALA 29 3HB ALA 29 -2.214 -7.728 -10.857 205 H MET 30 H MET 30 -2.831 -9.817 -11.239 206 HA MET 30 HA MET 30 -1.891 -10.923 -13.583 207 2HB MET 30 2HB MET 30 -2.640 -12.939 -11.576 208 2HG MET 30 2HG MET 30 -0.008 -12.722 -11.235 209 1HE MET 30 1HE MET 30 -0.474 -16.161 -12.233 210 2HE MET 30 2HE MET 30 -0.418 -14.902 -10.975 211 3HE MET 30 3HE MET 30 -1.975 -15.361 -11.706 212 H GLU 31 H GLU 31 -5.122 -10.566 -12.511 213 HA GLU 31 HA GLU 31 -6.089 -13.003 -13.613 214 2HB GLU 31 2HB GLU 31 -8.246 -11.194 -13.356 215 2HG GLU 31 2HG GLU 31 -8.365 -12.436 -11.008 216 HE2 GLU 31 HE GLU 31 -9.988 -12.123 -12.904 217 H ASN 32 H ASN 32 -4.515 -11.875 -15.570 218 HA ASN 32 HA ASN 32 -4.458 -11.168 -17.622 219 2HB ASN 32 2HB ASN 32 -6.933 -11.511 -18.809 220 1HD2 ASN 32 1HD2 ASN 32 -7.135 -13.552 -19.944 221 2HD2 ASN 32 2HD2 ASN 32 -5.735 -14.532 -20.229 222 H ILE 33 H ILE 33 -5.284 -9.225 -15.512 223 HA ILE 33 HA ILE 33 -7.422 -7.638 -16.288 224 HB ILE 33 HB ILE 33 -5.496 -7.681 -14.283 225 2HG1 ILE 33 2HG1 ILE 33 -7.715 -7.269 -13.707 226 1HG2 ILE 33 1HG2 ILE 33 -4.650 -5.398 -14.157 227 2HG2 ILE 33 2HG2 ILE 33 -4.054 -6.217 -15.620 228 3HG2 ILE 33 3HG2 ILE 33 -5.372 -5.026 -15.741 229 1HD1 ILE 33 1HD1 ILE 33 -6.668 -4.423 -13.620 230 2HD1 ILE 33 2HD1 ILE 33 -7.665 -5.280 -12.419 231 3HD1 ILE 33 3HD1 ILE 33 -5.944 -5.693 -12.605 232 H GLU 34 H GLU 34 -7.695 -5.950 -17.730 233 HA GLU 34 HA GLU 34 -5.517 -5.691 -19.629 234 2HB GLU 34 2HB GLU 34 -8.022 -4.363 -20.374 235 2HG GLU 34 2HG GLU 34 -6.974 -6.868 -21.680 236 HE2 GLU 34 HE GLU 34 -8.598 -3.637 -23.452 237 H LYS 35 H LYS 35 -8.111 -3.558 -18.212 238 HA LYS 35 HA LYS 35 -6.471 -1.737 -17.019 239 2HB LYS 35 2HB LYS 35 -5.329 -1.132 -18.965 240 2HG LYS 35 2HG LYS 35 -7.556 -0.399 -20.725 241 2HD LYS 35 2HD LYS 35 -6.224 -2.096 -22.210 242 2HE LYS 35 2HE LYS 35 -5.907 0.594 -21.755 243 1HZ LYS 35 1HZ LYS 35 -3.358 0.712 -21.620 244 2HZ LYS 35 2HZ LYS 35 -4.153 0.489 -20.216 245 H SER 36 H SER 36 -8.893 -2.950 -16.463 246 HA SER 36 HA SER 36 -10.613 -0.612 -16.492 247 2HB SER 36 2HB SER 36 -11.323 -3.420 -17.369 248 HG SER 36 HG SER 36 -13.609 -2.470 -17.283 249 H ARG 37 H ARG 37 -11.378 -3.940 -15.365 250 HA ARG 37 HA ARG 37 -11.678 -4.801 -13.407 251 2HB ARG 37 2HB ARG 37 -10.180 -2.713 -11.849 252 2HG ARG 37 2HG ARG 37 -10.740 -4.815 -10.748 253 2HD ARG 37 2HD ARG 37 -9.275 -6.824 -11.993 254 HE ARG 37 HE ARG 37 -12.111 -6.211 -11.684 255 1HH1 ARG 37 2HH2 ARG 37 -9.824 -8.498 -13.130 256 2HH1 ARG 37 1HH2 ARG 37 -10.967 -9.799 -13.183 257 2HH2 ARG 37 1HH ARG 37 -13.191 -9.440 -12.367 258 H ASN 38 H ASN 38 -11.337 -1.286 -12.496 259 HA ASN 38 HA ASN 38 -12.857 0.180 -11.896 260 2HB ASN 38 2HB ASN 38 -15.217 -0.176 -12.092 261 1HD2 ASN 38 1HD2 ASN 38 -16.328 -2.271 -13.624 262 2HD2 ASN 38 2HD2 ASN 38 -15.634 -2.247 -15.211 263 H THR 39 H THR 39 -11.586 -2.332 -10.327 264 HA THR 39 HA THR 39 -13.242 -2.493 -7.985 265 HB THR 39 HB THR 39 -10.504 -3.543 -8.836 266 HG1 THR 39 1HG THR 39 -11.852 -5.505 -8.716 267 1HG2 THR 39 1HG2 THR 39 -11.702 -4.855 -6.510 268 2HG2 THR 39 2HG2 THR 39 -10.045 -4.236 -6.706 269 3HG2 THR 39 3HG2 THR 39 -11.339 -3.153 -6.140 270 H LEU 40 H LEU 40 -9.745 -1.917 -7.725 271 HA LEU 40 HA LEU 40 -9.868 -0.359 -5.527 272 2HB LEU 40 2HB LEU 40 -7.838 -1.312 -6.484 273 HG LEU 40 HG LEU 40 -6.522 -0.173 -8.156 274 1HD1 LEU 40 1HD1 LEU 40 -9.257 -0.705 -9.340 275 2HD1 LEU 40 2HD1 LEU 40 -7.672 -0.849 -10.137 276 3HD1 LEU 40 3HD1 LEU 40 -8.120 -1.979 -8.837 277 1HD2 LEU 40 1HD2 LEU 40 -8.043 2.040 -7.629 278 2HD2 LEU 40 2HD2 LEU 40 -6.920 1.863 -8.999 279 3HD2 LEU 40 3HD2 LEU 40 -8.656 1.544 -9.226 280 H ASP 41 H ASP 41 -10.722 0.514 -8.837 281 HA ASP 41 HA ASP 41 -10.504 3.277 -8.493 282 2HB ASP 41 2HB ASP 41 -12.424 1.775 -10.330 283 HD2 ASP 41 HD ASP 41 -13.693 3.632 -10.549 284 H PHE 42 H PHE 42 -13.351 0.991 -8.540 285 HA PHE 42 HA PHE 42 -15.337 2.748 -7.950 286 2HB PHE 42 2HB PHE 42 -14.698 -0.153 -7.243 287 HD1 PHE 42 1HD PHE 42 -15.306 -0.073 -4.837 288 HD2 PHE 42 2HD PHE 42 -18.092 0.935 -7.873 289 HE1 PHE 42 1HE PHE 42 -17.188 -0.342 -3.198 290 HE2 PHE 42 2HE PHE 42 -19.976 0.667 -6.236 291 HZ PHE 42 HZ PHE 42 -19.501 0.031 -3.918 292 H VAL 43 H VAL 43 -12.976 1.216 -5.712 293 HA VAL 43 HA VAL 43 -14.302 2.261 -3.396 294 HB VAL 43 HB VAL 43 -12.366 0.298 -4.009 295 1HG1 VAL 43 1HG1 VAL 43 -11.313 2.385 -2.069 296 2HG1 VAL 43 2HG1 VAL 43 -10.628 0.759 -2.304 297 3HG1 VAL 43 3HG1 VAL 43 -10.603 1.936 -3.639 298 1HG2 VAL 43 1HG2 VAL 43 -13.825 -0.463 -2.458 299 2HG2 VAL 43 2HG2 VAL 43 -12.626 0.165 -1.302 300 3HG2 VAL 43 3HG2 VAL 43 -14.051 1.144 -1.726 301 H LYS 44 H LYS 44 -11.755 3.252 -5.661 302 HA LYS 44 HA LYS 44 -10.514 5.159 -4.053 303 2HB LYS 44 2HB LYS 44 -10.527 5.981 -6.802 304 2HG LYS 44 2HG LYS 44 -8.138 4.940 -6.567 305 2HD LYS 44 2HD LYS 44 -7.414 6.786 -5.033 306 2HE LYS 44 2HE LYS 44 -8.938 7.061 -7.471 307 1HZ LYS 44 1HZ LYS 44 -10.405 8.649 -6.914 308 2HZ LYS 44 2HZ LYS 44 -9.912 8.682 -5.364 309 H SER 45 H SER 45 -13.537 5.198 -5.953 310 HA SER 45 HA SER 45 -13.957 7.864 -6.128 311 2HB SER 45 2HB SER 45 -15.969 5.646 -5.555 312 HG SER 45 HG SER 45 -16.485 8.178 -6.846 313 H LEU 46 H LEU 46 -14.658 5.646 -3.355 314 HA LEU 46 HA LEU 46 -16.046 7.200 -1.682 315 2HB LEU 46 2HB LEU 46 -13.969 6.041 -0.131 316 HG LEU 46 HG LEU 46 -16.612 4.766 -0.879 317 1HD1 LEU 46 1HD1 LEU 46 -16.409 3.564 1.202 318 2HD1 LEU 46 2HD1 LEU 46 -14.947 3.298 0.224 319 3HD1 LEU 46 3HD1 LEU 46 -14.904 4.425 1.600 320 1HD2 LEU 46 1HD2 LEU 46 -16.506 6.180 1.681 321 2HD2 LEU 46 2HD2 LEU 46 -16.340 7.255 0.273 322 3HD2 LEU 46 3HD2 LEU 46 -17.755 6.183 0.412 323 H LYS 47 H LYS 47 -12.447 7.350 -2.121 324 HA LYS 47 HA LYS 47 -11.019 9.008 -1.816 325 2HB LYS 47 2HB LYS 47 -12.238 11.389 -1.446 326 2HG LYS 47 2HG LYS 47 -12.213 9.911 -4.117 327 2HD LYS 47 2HD LYS 47 -11.834 12.847 -3.357 328 2HE LYS 47 2HE LYS 47 -11.823 11.467 -6.085 329 1HZ LYS 47 1HZ LYS 47 -12.482 13.516 -6.729 330 2HZ LYS 47 2HZ LYS 47 -12.224 14.197 -5.272 331 H SER 48 H SER 48 -10.964 7.516 0.242 332 HA SER 48 HA SER 48 -11.787 9.027 2.567 333 2HB SER 48 2HB SER 48 -12.307 6.574 2.399 334 HG SER 48 HG SER 48 -9.847 6.311 1.553 335 HA PRO 49 HA PRO 49 -7.682 10.352 3.203 336 2HB PRO 49 2HB PRO 49 -8.388 12.198 4.386 337 2HG PRO 49 2HG PRO 49 -10.519 12.030 5.251 338 2HD PRO 49 2HD PRO 49 -11.421 10.475 3.817 339 H VAL 50 H VAL 50 -5.646 9.846 4.103 340 HA VAL 50 HA VAL 50 -5.672 7.802 6.135 341 HB VAL 50 HB VAL 50 -4.547 7.235 3.384 342 1HG1 VAL 50 1HG1 VAL 50 -4.561 5.652 5.968 343 2HG1 VAL 50 2HG1 VAL 50 -4.257 4.915 4.378 344 3HG1 VAL 50 3HG1 VAL 50 -3.161 6.173 4.999 345 1HG2 VAL 50 1HG2 VAL 50 -6.954 7.089 3.289 346 2HG2 VAL 50 2HG2 VAL 50 -6.286 5.440 3.312 347 3HG2 VAL 50 3HG2 VAL 50 -7.003 6.130 4.787 348 H ARG 51 H ARG 51 -3.391 7.310 6.858 349 HA ARG 51 HA ARG 51 -1.386 9.068 5.902 350 2HB ARG 51 2HB ARG 51 -2.258 9.420 8.808 351 2HG ARG 51 2HG ARG 51 -0.878 11.661 7.601 352 2HD ARG 51 2HD ARG 51 0.872 10.508 9.422 353 HE ARG 51 HE ARG 51 -1.312 12.025 10.635 354 1HH1 ARG 51 2HH2 ARG 51 1.518 12.269 8.517 355 2HH1 ARG 51 1HH2 ARG 51 1.750 13.959 8.815 356 2HH2 ARG 51 1HH ARG 51 0.254 15.106 10.296 357 H ILE 52 H ILE 52 0.720 8.345 6.566 358 HA ILE 52 HA ILE 52 1.000 6.498 8.715 359 HB ILE 52 HB ILE 52 2.028 4.908 6.709 360 2HG1 ILE 52 2HG1 ILE 52 0.670 6.369 5.112 361 1HG2 ILE 52 1HG2 ILE 52 0.720 4.432 8.893 362 2HG2 ILE 52 2HG2 ILE 52 -0.719 4.456 7.846 363 3HG2 ILE 52 3HG2 ILE 52 0.588 3.288 7.536 364 1HD1 ILE 52 1HD1 ILE 52 -0.088 4.422 3.804 365 2HD1 ILE 52 2HD1 ILE 52 1.494 4.076 4.545 366 3HD1 ILE 52 3HD1 ILE 52 0.010 3.391 5.252 367 H LEU 53 H LEU 53 3.219 6.185 9.269 368 HA LEU 53 HA LEU 53 4.948 8.120 7.923 369 2HB LEU 53 2HB LEU 53 4.677 7.081 10.684 370 HG LEU 53 HG LEU 53 7.317 7.473 9.408 371 1HD1 LEU 53 1HD1 LEU 53 8.264 8.558 11.448 372 2HD1 LEU 53 2HD1 LEU 53 7.213 9.615 10.475 373 3HD1 LEU 53 3HD1 LEU 53 6.600 8.896 11.984 374 1HD2 LEU 53 1HD2 LEU 53 6.082 5.895 11.586 375 2HD2 LEU 53 2HD2 LEU 53 7.307 5.439 10.378 376 3HD2 LEU 53 3HD2 LEU 53 7.782 6.362 11.824 377 H CYS 54 H CYS 54 7.081 7.542 7.241 378 HA CYS 54 HA CYS 54 7.304 4.666 6.751 379 2HB CYS 54 2HB CYS 54 8.341 7.050 5.198 380 HG CYS 54 HG CYS 54 10.418 5.742 5.052 381 H ARG 55 H ARG 55 9.028 3.578 7.689 382 HA ARG 55 HA ARG 55 11.005 5.285 8.976 383 2HB ARG 55 2HB ARG 55 11.304 3.079 10.435 384 2HG ARG 55 2HG ARG 55 8.839 3.952 11.475 385 2HD ARG 55 2HD ARG 55 11.537 5.326 11.869 386 HE ARG 55 HE ARG 55 9.090 5.752 13.148 387 1HH1 ARG 55 2HH2 ARG 55 12.295 4.639 14.171 388 2HH1 ARG 55 1HH2 ARG 55 12.130 5.252 15.782 389 2HH2 ARG 55 1HH ARG 55 10.109 6.377 16.409 390 H ARG 56 H ARG 56 12.995 3.462 9.599 391 HA ARG 56 HA ARG 56 14.349 3.207 7.269 392 2HB ARG 56 2HB ARG 56 15.714 3.010 9.161 393 2HG ARG 56 2HG ARG 56 13.472 1.279 10.230 394 2HD ARG 56 2HD ARG 56 16.280 0.740 10.648 395 HE ARG 56 HE ARG 56 15.147 2.383 12.751 396 1HH1 ARG 56 2HH2 ARG 56 17.213 -0.444 12.206 397 2HH1 ARG 56 1HH2 ARG 56 18.069 -0.261 13.700 398 2HH2 ARG 56 1HH ARG 56 17.501 1.549 15.164 399 H GLY 57 H GLY 57 14.315 1.755 5.561 400 1HA GLY 57 1HA GLY 57 12.305 -0.024 5.099 401 2HA GLY 57 2HA GLY 57 13.898 -0.114 4.372 402 H ASP 58 H ASP 58 15.227 -0.473 7.091 403 HA ASP 58 HA ASP 58 15.308 -3.221 7.055 404 2HB ASP 58 2HB ASP 58 15.945 -1.385 9.411 405 HD2 ASP 58 HD ASP 58 18.669 -3.573 9.939 406 H THR 59 H THR 59 13.272 -0.863 8.797 407 HA THR 59 HA THR 59 12.053 -3.040 10.351 408 HB THR 59 HB THR 59 12.985 -0.466 11.050 409 HG1 THR 59 1HG THR 59 12.505 -1.524 12.943 410 1HG2 THR 59 1HG2 THR 59 10.688 0.306 10.023 411 2HG2 THR 59 2HG2 THR 59 9.961 -0.551 11.402 412 3HG2 THR 59 3HG2 THR 59 11.069 0.813 11.686 413 H LEU 60 H LEU 60 11.726 -1.898 7.359 414 HA LEU 60 HA LEU 60 9.203 -0.888 7.086 415 2HB LEU 60 2HB LEU 60 10.272 -2.934 5.175 416 HG LEU 60 HG LEU 60 8.181 -1.489 4.711 417 1HD1 LEU 60 1HD1 LEU 60 8.553 0.682 5.219 418 2HD1 LEU 60 2HD1 LEU 60 10.301 0.578 4.901 419 3HD1 LEU 60 3HD1 LEU 60 9.158 0.729 3.545 420 1HD2 LEU 60 1HD2 LEU 60 9.062 -1.038 2.314 421 2HD2 LEU 60 2HD2 LEU 60 10.542 -1.846 2.883 422 3HD2 LEU 60 3HD2 LEU 60 8.987 -2.712 2.913 423 H ASP 61 H ASP 61 10.245 -4.292 7.594 424 HA ASP 61 HA ASP 61 7.851 -5.497 7.085 425 2HB ASP 61 2HB ASP 61 9.584 -7.009 7.457 426 HD2 ASP 61 HD ASP 61 11.562 -5.871 7.519 427 H GLU 62 H GLU 62 9.208 -4.150 10.180 428 HA GLU 62 HA GLU 62 6.891 -4.777 11.653 429 2HB GLU 62 2HB GLU 62 8.645 -2.606 12.676 430 2HG GLU 62 2HG GLU 62 8.731 -5.079 14.162 431 HE2 GLU 62 HE GLU 62 8.787 -2.411 16.334 432 H ILE 63 H ILE 63 8.122 -1.896 9.904 433 HA ILE 63 HA ILE 63 6.329 -0.033 10.905 434 HB ILE 63 HB ILE 63 8.401 -0.096 9.088 435 2HG1 ILE 63 2HG1 ILE 63 7.957 2.401 8.960 436 1HG2 ILE 63 1HG2 ILE 63 6.013 0.979 7.585 437 2HG2 ILE 63 2HG2 ILE 63 7.677 0.726 7.005 438 3HG2 ILE 63 3HG2 ILE 63 6.633 -0.673 7.350 439 1HD1 ILE 63 1HD1 ILE 63 5.991 2.175 11.162 440 2HD1 ILE 63 2HD1 ILE 63 6.039 3.313 9.794 441 3HD1 ILE 63 3HD1 ILE 63 5.348 1.687 9.576 442 H ILE 64 H ILE 64 5.930 -2.682 8.590 443 HA ILE 64 HA ILE 64 3.611 -1.745 7.341 444 HB ILE 64 HB ILE 64 4.774 -4.483 7.796 445 2HG1 ILE 64 2HG1 ILE 64 5.635 -2.508 6.168 446 1HG2 ILE 64 1HG2 ILE 64 2.488 -4.982 7.630 447 2HG2 ILE 64 2HG2 ILE 64 2.207 -3.723 6.404 448 3HG2 ILE 64 3HG2 ILE 64 3.123 -5.189 5.980 449 1HD1 ILE 64 1HD1 ILE 64 7.096 -4.167 5.690 450 2HD1 ILE 64 2HD1 ILE 64 5.983 -5.339 6.435 451 3HD1 ILE 64 3HD1 ILE 64 5.865 -4.982 4.695 452 H LYS 65 H LYS 65 4.138 -3.754 10.301 453 HA LYS 65 HA LYS 65 1.406 -4.158 10.798 454 2HB LYS 65 2HB LYS 65 3.052 -4.138 13.192 455 2HG LYS 65 2HG LYS 65 2.104 -6.563 11.636 456 2HD LYS 65 2HD LYS 65 2.093 -5.854 14.608 457 2HE LYS 65 2HE LYS 65 1.446 -8.395 13.051 458 1HZ LYS 65 1HZ LYS 65 2.921 -8.589 15.174 459 2HZ LYS 65 2HZ LYS 65 1.549 -8.270 15.989 460 H ARG 66 H ARG 66 3.729 -1.571 11.686 461 HA ARG 66 HA ARG 66 1.967 -0.338 13.474 462 2HB ARG 66 2HB ARG 66 3.560 1.671 13.098 463 2HG ARG 66 2HG ARG 66 5.636 0.142 13.846 464 2HD ARG 66 2HD ARG 66 3.302 1.247 15.200 465 HE ARG 66 HE ARG 66 3.534 -1.429 15.850 466 1HH1 ARG 66 2HH2 ARG 66 4.179 1.564 17.634 467 2HH1 ARG 66 1HH2 ARG 66 3.828 0.865 19.179 468 2HH2 ARG 66 1HH ARG 66 3.179 -1.439 19.305 469 H LEU 67 H LEU 67 2.570 -0.134 9.957 470 HA LEU 67 HA LEU 67 1.191 2.278 9.519 471 2HB LEU 67 2HB LEU 67 1.044 1.260 7.145 472 HG LEU 67 HG LEU 67 3.885 1.162 7.549 473 1HD1 LEU 67 1HD1 LEU 67 3.464 3.550 6.393 474 2HD1 LEU 67 2HD1 LEU 67 3.361 2.004 5.517 475 3HD1 LEU 67 3HD1 LEU 67 1.877 2.798 6.098 476 1HD2 LEU 67 1HD2 LEU 67 4.357 3.173 8.715 477 2HD2 LEU 67 2HD2 LEU 67 2.634 3.610 8.810 478 3HD2 LEU 67 3HD2 LEU 67 3.257 2.232 9.750 479 H LEU 68 H LEU 68 0.195 -1.200 9.243 480 HA LEU 68 HA LEU 68 -2.372 -0.811 8.405 481 2HB LEU 68 2HB LEU 68 -0.904 -2.937 8.951 482 HG LEU 68 HG LEU 68 -1.356 -2.575 11.499 483 1HD1 LEU 68 1HD1 LEU 68 -4.036 -3.437 10.477 484 2HD1 LEU 68 2HD1 LEU 68 -3.479 -4.013 12.067 485 3HD1 LEU 68 3HD1 LEU 68 -3.617 -2.266 11.751 486 1HD2 LEU 68 1HD2 LEU 68 -0.831 -4.765 11.832 487 2HD2 LEU 68 2HD2 LEU 68 -2.041 -5.355 10.667 488 3HD2 LEU 68 3HD2 LEU 68 -0.508 -4.662 10.085 489 H GLU 69 H GLU 69 -1.048 -0.645 11.758 490 HA GLU 69 HA GLU 69 -3.448 -0.378 13.049 491 2HB GLU 69 2HB GLU 69 -2.154 0.554 14.899 492 2HG GLU 69 2HG GLU 69 0.103 -1.011 14.157 493 HE2 GLU 69 HE GLU 69 -1.473 -3.556 14.989 494 H GLU 70 H GLU 70 -1.723 1.865 10.970 495 HA GLU 70 HA GLU 70 -3.270 4.088 11.973 496 2HB GLU 70 2HB GLU 70 -1.873 5.451 10.437 497 2HG GLU 70 2HG GLU 70 0.453 4.325 11.375 498 HE2 GLU 70 HE GLU 70 0.353 7.332 12.851 499 H SER 71 H SER 71 -2.850 2.026 9.054 500 HA SER 71 HA SER 71 -4.873 3.505 7.670 501 2HB SER 71 2HB SER 71 -4.422 1.967 5.813 502 HG SER 71 HG SER 71 -1.848 2.384 7.030 503 H ASN 72 H ASN 72 -4.412 -0.014 8.512 504 HA ASN 72 HA ASN 72 -6.823 -0.946 7.975 505 2HB ASN 72 2HB ASN 72 -5.880 -1.777 10.686 506 1HD2 ASN 72 1HD2 ASN 72 -5.849 -4.022 10.862 507 2HD2 ASN 72 2HD2 ASN 72 -6.618 -5.064 9.713 508 H LYS 73 H LYS 73 -5.895 1.252 10.616 509 HA LYS 73 HA LYS 73 -8.146 0.891 12.251 510 2HB LYS 73 2HB LYS 73 -7.277 3.508 12.631 511 2HG LYS 73 2HG LYS 73 -7.585 1.961 14.464 512 2HD LYS 73 2HD LYS 73 -5.258 0.274 14.247 513 2HE LYS 73 2HE LYS 73 -7.921 -0.927 13.706 514 1HZ LYS 73 1HZ LYS 73 -6.830 -1.574 16.190 515 2HZ LYS 73 2HZ LYS 73 -6.816 -2.495 14.846 516 H GLU 74 H GLU 74 -7.407 3.219 9.577 517 HA GLU 74 HA GLU 74 -10.172 4.070 9.715 518 2HB GLU 74 2HB GLU 74 -8.411 5.817 9.643 519 2HG GLU 74 2HG GLU 74 -7.835 5.253 6.760 520 HE2 GLU 74 HE GLU 74 -4.657 6.418 8.626 521 H GLY 75 H GLY 75 -8.682 1.496 8.450 522 1HA GLY 75 1HA GLY 75 -10.223 1.604 5.926 523 2HA GLY 75 2HA GLY 75 -8.626 0.893 6.035 524 H ILE 76 H ILE 76 -10.030 -0.993 5.127 525 HA ILE 76 HA ILE 76 -11.526 -2.342 7.223 526 HB ILE 76 HB ILE 76 -11.288 -2.573 4.258 527 2HG1 ILE 76 2HG1 ILE 76 -13.671 -2.425 4.318 528 1HG2 ILE 76 1HG2 ILE 76 -12.350 -4.798 6.020 529 2HG2 ILE 76 2HG2 ILE 76 -12.402 -4.729 4.243 530 3HG2 ILE 76 3HG2 ILE 76 -10.838 -4.850 5.083 531 1HD1 ILE 76 1HD1 ILE 76 -14.394 -1.989 6.983 532 2HD1 ILE 76 2HD1 ILE 76 -14.743 -3.456 6.038 533 3HD1 ILE 76 3HD1 ILE 76 -13.298 -3.388 7.076 534 H HIS 77 H HIS 77 -11.101 -4.718 7.581 535 HA HIS 77 HA HIS 77 -8.604 -5.126 8.542 536 2HB HIS 77 2HB HIS 77 -9.810 -7.596 7.550 537 HD1 HIS 77 1HD HIS 77 -7.687 -8.354 9.011 538 HD2 HIS 77 2HD HIS 77 -10.780 -6.466 11.124 539 HE1 HIS 77 1HE HIS 77 -7.280 -8.860 11.478 540 H VAL 78 H VAL 78 -6.812 -4.624 7.305 541 HA VAL 78 HA VAL 78 -6.396 -6.371 4.996 542 HB VAL 78 HB VAL 78 -5.997 -3.376 5.086 543 1HG1 VAL 78 1HG1 VAL 78 -4.752 -3.436 3.155 544 2HG1 VAL 78 2HG1 VAL 78 -4.204 -4.947 3.922 545 3HG1 VAL 78 3HG1 VAL 78 -5.429 -4.998 2.631 546 1HG2 VAL 78 1HG2 VAL 78 -7.450 -4.449 2.808 547 2HG2 VAL 78 2HG2 VAL 78 -8.225 -4.903 4.345 548 3HG2 VAL 78 3HG2 VAL 78 -7.924 -3.188 3.972 549 H ILE 79 H ILE 79 -4.256 -7.087 4.752 550 HA ILE 79 HA ILE 79 -2.426 -6.156 6.854 551 HB ILE 79 HB ILE 79 -1.558 -8.438 6.983 552 2HG1 ILE 79 2HG1 ILE 79 -2.383 -9.012 4.607 553 1HG2 ILE 79 1HG2 ILE 79 -3.163 -7.768 8.632 554 2HG2 ILE 79 2HG2 ILE 79 -4.519 -8.110 7.530 555 3HG2 ILE 79 3HG2 ILE 79 -3.520 -9.444 8.152 556 1HD1 ILE 79 1HD1 ILE 79 -2.893 -11.465 5.452 557 2HD1 ILE 79 2HD1 ILE 79 -1.274 -10.769 5.702 558 3HD1 ILE 79 3HD1 ILE 79 -2.444 -10.804 7.043 559 H HIS 80 H HIS 80 -2.395 -4.720 4.583 560 HA HIS 80 HA HIS 80 -0.552 -5.963 2.738 561 2HB HIS 80 2HB HIS 80 -0.806 -3.742 1.541 562 HD1 HIS 80 1HD HIS 80 -3.513 -3.171 0.466 563 HD2 HIS 80 2HD HIS 80 -2.490 -6.967 1.930 564 HE1 HIS 80 1HE HIS 80 -5.148 -4.813 -0.601 565 H ASP 81 H ASP 81 1.395 -4.540 2.013 566 HA ASP 81 HA ASP 81 2.623 -3.552 4.464 567 2HB ASP 81 2HB ASP 81 4.800 -4.064 3.308 568 HD2 ASP 81 HD ASP 81 5.148 -7.075 4.416 569 H SER 82 H SER 82 4.612 -1.949 3.716 570 HA SER 82 HA SER 82 3.333 0.231 2.515 571 2HB SER 82 2HB SER 82 6.297 -0.194 3.099 572 HG SER 82 HG SER 82 6.520 1.827 2.457 573 H ILE 83 H ILE 83 5.493 -2.359 1.373 574 HA ILE 83 HA ILE 83 6.218 -1.076 -1.048 575 HB ILE 83 HB ILE 83 6.251 -3.995 -0.270 576 2HG1 ILE 83 2HG1 ILE 83 7.548 -2.783 1.323 577 1HG2 ILE 83 1HG2 ILE 83 8.043 -4.128 -2.022 578 2HG2 ILE 83 2HG2 ILE 83 6.399 -3.843 -2.644 579 3HG2 ILE 83 3HG2 ILE 83 7.562 -2.498 -2.549 580 1HD1 ILE 83 1HD1 ILE 83 8.615 -4.807 0.125 581 2HD1 ILE 83 2HD1 ILE 83 9.555 -3.617 -0.808 582 3HD1 ILE 83 3HD1 ILE 83 9.731 -3.701 0.962 583 H THR 84 H THR 84 3.521 -3.151 0.041 584 HA THR 84 HA THR 84 2.534 -3.534 -2.632 585 HB THR 84 HB THR 84 1.962 -4.422 0.146 586 HG1 THR 84 1HG THR 84 1.493 -5.375 -2.592 587 1HG2 THR 84 1HG2 THR 84 -0.297 -4.398 -1.912 588 2HG2 THR 84 2HG2 THR 84 -0.364 -4.992 -0.236 589 3HG2 THR 84 3HG2 THR 84 -0.231 -3.246 -0.557 590 H LEU 85 H LEU 85 1.945 -1.290 0.088 591 HA LEU 85 HA LEU 85 -0.428 -0.209 -0.887 592 2HB LEU 85 2HB LEU 85 0.583 1.853 0.455 593 HG LEU 85 HG LEU 85 -1.163 1.009 1.632 594 1HD1 LEU 85 1HD1 LEU 85 -0.015 -1.690 0.988 595 2HD1 LEU 85 2HD1 LEU 85 -1.228 -1.518 2.280 596 3HD1 LEU 85 3HD1 LEU 85 -1.621 -1.014 0.619 597 1HD2 LEU 85 1HD2 LEU 85 -0.518 0.408 3.813 598 2HD2 LEU 85 2HD2 LEU 85 0.961 -0.406 3.246 599 3HD2 LEU 85 3HD2 LEU 85 0.837 1.369 3.172 600 H ALA 86 H ALA 86 3.003 0.373 -1.701 601 HA ALA 86 HA ALA 86 2.632 2.753 -3.112 602 1HB ALA 86 1HB ALA 86 4.803 1.769 -2.321 603 2HB ALA 86 2HB ALA 86 4.671 0.548 -3.608 604 3HB ALA 86 3HB ALA 86 4.829 2.271 -4.028 605 H PHE 87 H PHE 87 2.646 -0.711 -4.195 606 HA PHE 87 HA PHE 87 2.043 -0.019 -6.875 607 2HB PHE 87 2HB PHE 87 1.328 -2.689 -5.637 608 HD1 PHE 87 1HD PHE 87 0.468 -3.509 -7.685 609 HD2 PHE 87 2HD PHE 87 4.332 -1.759 -7.580 610 HE1 PHE 87 1HE PHE 87 0.911 -4.352 -10.007 611 HE2 PHE 87 2HE PHE 87 4.776 -2.602 -9.902 612 HZ PHE 87 HZ PHE 87 3.060 -3.889 -11.087 613 H LEU 88 H LEU 88 0.111 -1.331 -4.098 614 HA LEU 88 HA LEU 88 -2.275 -1.611 -5.471 615 2HB LEU 88 2HB LEU 88 -3.107 -1.049 -2.972 616 HG LEU 88 HG LEU 88 -3.419 -3.250 -3.929 617 1HD1 LEU 88 1HD1 LEU 88 -1.438 -4.902 -3.706 618 2HD1 LEU 88 2HD1 LEU 88 -1.479 -3.782 -5.090 619 3HD1 LEU 88 3HD1 LEU 88 -0.425 -3.438 -3.697 620 1HD2 LEU 88 1HD2 LEU 88 -3.869 -3.495 -1.716 621 2HD2 LEU 88 2HD2 LEU 88 -2.488 -4.612 -1.832 622 3HD2 LEU 88 3HD2 LEU 88 -2.249 -2.962 -1.206 623 H ILE 89 H ILE 89 -0.744 1.249 -3.938 624 HA ILE 89 HA ILE 89 -3.048 2.885 -4.316 625 HB ILE 89 HB ILE 89 -0.181 3.427 -3.568 626 2HG1 ILE 89 2HG1 ILE 89 -1.836 2.233 -1.997 627 1HG2 ILE 89 1HG2 ILE 89 -1.268 5.724 -2.886 628 2HG2 ILE 89 2HG2 ILE 89 -0.648 5.455 -4.532 629 3HG2 ILE 89 3HG2 ILE 89 -2.394 5.339 -4.209 630 1HD1 ILE 89 1HD1 ILE 89 -0.861 3.283 -0.100 631 2HD1 ILE 89 2HD1 ILE 89 0.330 3.547 -1.397 632 3HD1 ILE 89 3HD1 ILE 89 -0.769 4.863 -0.915 633 H ARG 90 H ARG 90 0.160 2.526 -5.967 634 HA ARG 90 HA ARG 90 0.059 4.426 -7.771 635 2HB ARG 90 2HB ARG 90 0.754 2.146 -9.327 636 2HG ARG 90 2HG ARG 90 2.784 3.358 -7.472 637 2HD ARG 90 2HD ARG 90 2.888 3.469 -10.479 638 HE ARG 90 HE ARG 90 4.795 3.403 -8.259 639 1HH1 ARG 90 2HH2 ARG 90 4.397 2.798 -11.729 640 2HH1 ARG 90 1HH2 ARG 90 6.081 2.999 -12.083 641 2HH2 ARG 90 1HH ARG 90 7.602 3.510 -10.302 642 H GLU 91 H GLU 91 -1.973 1.476 -7.734 643 HA GLU 91 HA GLU 91 -3.012 1.958 -10.331 644 2HB GLU 91 2HB GLU 91 -4.786 0.222 -9.050 645 2HG GLU 91 2HG GLU 91 -2.888 -1.503 -9.976 646 HE2 GLU 91 HE GLU 91 -3.693 -2.254 -12.205 647 H LYS 92 H LYS 92 -4.085 2.485 -6.927 648 HA LYS 92 HA LYS 92 -6.578 3.623 -7.820 649 2HB LYS 92 2HB LYS 92 -5.931 2.234 -5.618 650 2HG LYS 92 2HG LYS 92 -6.194 4.946 -4.383 651 2HD LYS 92 2HD LYS 92 -4.398 3.718 -2.872 652 2HE LYS 92 2HE LYS 92 -7.356 3.136 -3.128 653 1HZ LYS 92 1HZ LYS 92 -5.931 1.161 -2.204 654 2HZ LYS 92 2HZ LYS 92 -5.833 2.068 -0.855 655 H ALA 93 H ALA 93 -3.404 4.653 -7.839 656 HA ALA 93 HA ALA 93 -4.073 7.298 -8.378 657 1HB ALA 93 1HB ALA 93 -3.602 8.484 -6.436 658 2HB ALA 93 2HB ALA 93 -4.401 7.043 -5.763 659 3HB ALA 93 3HB ALA 93 -2.626 7.168 -5.742 660 H SER 94 H SER 94 -2.724 6.539 -10.153 661 HA SER 94 HA SER 94 -0.067 5.755 -9.584 662 2HB SER 94 2HB SER 94 -0.552 6.707 -12.324 663 HG SER 94 HG SER 94 -0.228 4.014 -11.315 664 H HIS 95 H HIS 95 -1.554 8.674 -9.201 665 HA HIS 95 HA HIS 95 0.460 10.301 -10.467 666 2HB HIS 95 2HB HIS 95 -1.230 11.786 -8.694 667 HD1 HIS 95 1HD HIS 95 -1.184 10.646 -12.370 668 HD2 HIS 95 2HD HIS 95 -1.319 14.141 -10.052 669 HE1 HIS 95 1HE HIS 95 -1.168 12.596 -14.015 670 H ARG 96 H ARG 96 -0.875 10.457 -7.101 671 HA ARG 96 HA ARG 96 1.853 10.904 -6.240 672 2HB ARG 96 2HB ARG 96 0.937 12.033 -4.328 673 2HG ARG 96 2HG ARG 96 -1.367 12.889 -5.899 674 2HD ARG 96 2HD ARG 96 1.182 14.002 -4.798 675 HE ARG 96 HE ARG 96 1.530 15.341 -6.669 676 1HH1 ARG 96 2HH2 ARG 96 -1.946 14.705 -6.410 677 2HH1 ARG 96 1HH2 ARG 96 -2.356 15.704 -7.764 678 2HH2 ARG 96 1HH ARG 96 -0.614 16.842 -8.953 679 H ILE 97 H ILE 97 2.878 9.033 -5.580 680 HA ILE 97 HA ILE 97 1.260 7.135 -4.026 681 HB ILE 97 HB ILE 97 3.693 6.349 -5.589 682 2HG1 ILE 97 2HG1 ILE 97 1.196 7.308 -6.716 683 1HG2 ILE 97 1HG2 ILE 97 1.444 4.998 -4.189 684 2HG2 ILE 97 2HG2 ILE 97 2.047 4.244 -5.685 685 3HG2 ILE 97 3HG2 ILE 97 3.159 4.542 -4.328 686 1HD1 ILE 97 1HD1 ILE 97 3.898 6.345 -7.716 687 2HD1 ILE 97 2HD1 ILE 97 2.590 6.769 -8.846 688 3HD1 ILE 97 3HD1 ILE 97 3.235 7.997 -7.731 689 H VAL 98 H VAL 98 2.816 5.704 -2.589 690 HA VAL 98 HA VAL 98 4.498 7.629 -1.168 691 HB VAL 98 HB VAL 98 2.724 6.693 0.133 692 1HG1 VAL 98 1HG1 VAL 98 2.892 4.095 0.564 693 2HG1 VAL 98 2HG1 VAL 98 1.998 4.730 -0.837 694 3HG1 VAL 98 3HG1 VAL 98 3.646 4.093 -1.048 695 1HG2 VAL 98 1HG2 VAL 98 3.976 6.332 1.980 696 2HG2 VAL 98 2HG2 VAL 98 4.890 5.001 1.230 697 3HG2 VAL 98 3HG2 VAL 98 5.341 6.690 0.895 698 H HIS 99 H HIS 99 6.650 7.067 -0.518 699 HA HIS 99 HA HIS 99 7.757 4.913 -2.167 700 2HB HIS 99 2HB HIS 99 8.576 7.031 -2.914 701 HD1 HIS 99 1HD HIS 99 7.353 8.990 -1.467 702 HD2 HIS 99 2HD HIS 99 11.025 7.588 -0.004 703 HE1 HIS 99 1HE HIS 99 8.180 10.746 0.189 704 H ARG 100 H ARG 100 10.231 4.567 -0.992 705 HA ARG 100 HA ARG 100 9.708 4.197 1.819 706 2HB ARG 100 2HB ARG 100 9.031 2.072 0.552 707 2HG ARG 100 2HG ARG 100 12.017 1.608 0.260 708 2HD ARG 100 2HD ARG 100 10.323 -0.307 0.207 709 HE ARG 100 HE ARG 100 8.774 1.292 -1.369 710 1HH1 ARG 100 2HH2 ARG 100 10.488 -1.722 -2.097 711 2HH1 ARG 100 1HH2 ARG 100 9.358 -2.215 -3.315 712 2HH2 ARG 100 1HH ARG 100 7.483 -0.809 -3.814 713 H VAL 101 H VAL 101 11.483 5.046 2.862 714 HA VAL 101 HA VAL 101 14.060 4.836 1.465 715 HB VAL 101 HB VAL 101 13.284 7.111 1.542 716 1HG1 VAL 101 1HG1 VAL 101 12.827 6.554 4.477 717 2HG1 VAL 101 2HG1 VAL 101 13.022 8.210 3.854 718 3HG1 VAL 101 3HG1 VAL 101 11.686 7.190 3.267 719 1HG2 VAL 101 1HG2 VAL 101 15.674 6.199 2.932 720 2HG2 VAL 101 2HG2 VAL 101 15.462 7.551 1.792 721 3HG2 VAL 101 3HG2 VAL 101 15.133 7.786 3.526 722 H VAL 102 H VAL 102 15.882 4.184 2.673 723 HA VAL 102 HA VAL 102 15.287 3.332 5.418 724 HB VAL 102 HB VAL 102 15.170 1.455 3.777 725 1HG1 VAL 102 1HG1 VAL 102 18.123 1.365 3.508 726 2HG1 VAL 102 2HG1 VAL 102 16.847 0.892 2.360 727 3HG1 VAL 102 3HG1 VAL 102 17.291 2.606 2.540 728 1HG2 VAL 102 1HG2 VAL 102 17.556 0.796 5.409 729 2HG2 VAL 102 2HG2 VAL 102 16.179 1.493 6.296 730 3HG2 VAL 102 3HG2 VAL 102 15.960 0.012 5.333 731 H LYS 103 H LYS 103 16.289 5.363 6.064 732 HA LYS 103 HA LYS 103 18.976 5.091 6.673 733 2HB LYS 103 2HB LYS 103 18.836 7.276 4.656 734 2HG LYS 103 2HG LYS 103 20.846 6.587 6.151 735 2HD LYS 103 2HD LYS 103 21.481 4.548 4.049 736 2HE LYS 103 2HE LYS 103 22.167 5.156 6.916 737 1HZ LYS 103 1HZ LYS 103 23.204 2.662 6.375 738 2HZ LYS 103 2HZ LYS 103 22.044 2.993 7.469 739 H SER 104 H SER 104 16.199 7.238 5.948 740 HA SER 104 HA SER 104 16.784 8.549 8.475 741 2HB SER 104 2HB SER 104 15.874 10.700 7.361 742 HG SER 104 HG SER 104 18.209 10.213 7.789 743 H ASP 105 H ASP 105 14.650 10.042 8.987 744 HA ASP 105 HA ASP 105 12.525 8.124 8.940 745 2HB ASP 105 2HB ASP 105 11.882 10.756 10.082 746 HD2 ASP 105 HD ASP 105 11.961 9.008 13.120 747 H PHE 106 H PHE 106 10.463 8.496 7.908 748 HA PHE 106 HA PHE 106 10.130 11.007 6.483 749 2HB PHE 106 2HB PHE 106 9.332 8.745 4.817 750 HD1 PHE 106 1HD PHE 106 8.920 10.156 3.007 751 HD2 PHE 106 2HD PHE 106 12.675 10.370 4.970 752 HE1 PHE 106 1HE PHE 106 9.767 11.698 1.217 753 HE2 PHE 106 2HE PHE 106 13.523 11.912 3.181 754 HZ PHE 106 HZ PHE 106 12.059 12.558 1.326 755 H GLU 107 H GLU 107 7.858 11.096 5.455 756 HA GLU 107 HA GLU 107 5.997 9.292 6.694 757 2HB GLU 107 2HB GLU 107 5.439 10.672 8.390 758 2HG GLU 107 2HG GLU 107 6.913 12.998 7.087 759 HE2 GLU 107 HE GLU 107 4.630 12.917 9.301 760 H ILE 108 H ILE 108 3.930 9.261 5.612 761 HA ILE 108 HA ILE 108 3.578 11.117 3.414 762 HB ILE 108 HB ILE 108 3.334 8.239 2.709 763 2HG1 ILE 108 2HG1 ILE 108 5.963 9.698 3.008 764 1HG2 ILE 108 1HG2 ILE 108 3.204 9.013 0.613 765 2HG2 ILE 108 2HG2 ILE 108 2.904 10.591 1.378 766 3HG2 ILE 108 3HG2 ILE 108 4.546 10.158 0.843 767 1HD1 ILE 108 1HD1 ILE 108 4.642 7.709 4.517 768 2HD1 ILE 108 2HD1 ILE 108 5.848 6.828 3.549 769 3HD1 ILE 108 3HD1 ILE 108 6.363 8.154 4.618 770 H GLY 109 H GLY 109 1.387 11.338 2.792 771 1HA GLY 109 1HA GLY 109 -0.611 9.565 3.866 772 2HA GLY 109 2HA GLY 109 -0.535 11.107 4.696 773 H VAL 110 H VAL 110 -2.871 10.509 3.377 774 HA VAL 110 HA VAL 110 -2.907 12.581 1.380 775 HB VAL 110 HB VAL 110 -2.499 9.973 0.532 776 1HG1 VAL 110 1HG1 VAL 110 -4.473 9.115 -0.406 777 2HG1 VAL 110 2HG1 VAL 110 -4.962 9.640 1.223 778 3HG1 VAL 110 3HG1 VAL 110 -5.353 10.648 -0.191 779 1HG2 VAL 110 1HG2 VAL 110 -3.853 12.076 -1.166 780 2HG2 VAL 110 2HG2 VAL 110 -2.170 12.254 -0.612 781 3HG2 VAL 110 3HG2 VAL 110 -2.628 10.873 -1.638 782 H THR 111 H THR 111 -5.316 12.828 0.588 783 HA THR 111 HA THR 111 -7.037 12.265 2.913 784 HB THR 111 HB THR 111 -8.179 14.459 2.033 785 HG1 THR 111 1HG THR 111 -6.630 14.123 0.058 786 1HG2 THR 111 1HG2 THR 111 -5.398 14.369 3.284 787 2HG2 THR 111 2HG2 THR 111 -6.230 15.913 2.978 788 3HG2 THR 111 3HG2 THR 111 -6.950 14.718 4.085 789 H ARG 112 H ARG 112 -6.563 12.074 -0.569 790 HA ARG 112 HA ARG 112 -8.876 10.403 -0.669 791 2HB ARG 112 2HB ARG 112 -10.269 11.788 -1.833 792 2HG ARG 112 2HG ARG 112 -8.061 13.776 -1.155 793 2HD ARG 112 2HD ARG 112 -9.674 14.338 -3.202 794 HE ARG 112 HE ARG 112 -11.635 13.915 -1.283 795 1HH1 ARG 112 2HH2 ARG 112 -10.591 16.741 -3.148 796 2HH1 ARG 112 1HH2 ARG 112 -12.159 17.477 -3.146 797 2HH2 ARG 112 1HH ARG 112 -13.974 16.367 -2.042 798 H ASP 113 H ASP 113 -6.242 12.132 -2.453 799 HA ASP 113 HA ASP 113 -4.842 10.029 -3.232 800 2HB ASP 113 2HB ASP 113 -7.357 10.057 -4.694 801 HD2 ASP 113 HD ASP 113 -7.301 11.464 -6.835 802 H GLY 114 H GLY 114 -6.342 13.137 -3.953 803 1HA GLY 114 1HA GLY 114 -4.468 13.962 -5.974 804 2HA GLY 114 2HA GLY 114 -5.680 14.937 -5.169 805 H GLU 115 H GLU 115 -5.228 15.553 -2.811 806 HA GLU 115 HA GLU 115 -2.553 16.519 -2.712 807 2HB GLU 115 2HB GLU 115 -4.137 18.083 -1.943 808 2HG GLU 115 2HG GLU 115 -5.553 17.017 0.211 809 HE2 GLU 115 HE GLU 115 -8.295 17.950 -1.339 810 H ILE 116 H ILE 116 -0.876 15.863 -1.340 811 HA ILE 116 HA ILE 116 -1.508 13.693 0.519 812 HB ILE 116 HB ILE 116 -0.101 12.216 -0.388 813 2HG1 ILE 116 2HG1 ILE 116 2.046 12.675 -1.374 814 1HG2 ILE 116 1HG2 ILE 116 -1.656 13.248 -2.244 815 2HG2 ILE 116 2HG2 ILE 116 -0.105 13.768 -2.949 816 3HG2 ILE 116 3HG2 ILE 116 -0.414 12.039 -2.653 817 1HD1 ILE 116 1HD1 ILE 116 1.021 15.536 -1.440 818 2HD1 ILE 116 2HD1 ILE 116 2.762 15.169 -1.451 819 3HD1 ILE 116 3HD1 ILE 116 1.721 14.581 -2.768 820 H ILE 117 H ILE 117 0.398 13.350 2.092 821 HA ILE 117 HA ILE 117 1.780 15.896 2.535 822 HB ILE 117 HB ILE 117 1.349 15.590 4.971 823 2HG1 ILE 117 2HG1 ILE 117 -0.308 13.322 3.931 824 1HG2 ILE 117 1HG2 ILE 117 -0.081 16.923 3.100 825 2HG2 ILE 117 2HG2 ILE 117 -1.353 15.901 3.810 826 3HG2 ILE 117 3HG2 ILE 117 -0.407 16.994 4.848 827 1HD1 ILE 117 1HD1 ILE 117 0.497 12.987 6.618 828 2HD1 ILE 117 2HD1 ILE 117 1.250 12.252 5.182 829 3HD1 ILE 117 3HD1 ILE 117 1.872 13.791 5.823 830 H VAL 118 H VAL 118 3.899 15.713 3.276 831 HA VAL 118 HA VAL 118 4.837 13.100 4.092 832 HB VAL 118 HB VAL 118 6.471 12.869 2.400 833 1HG1 VAL 118 1HG1 VAL 118 3.862 13.655 1.058 834 2HG1 VAL 118 2HG1 VAL 118 5.127 12.610 0.370 835 3HG1 VAL 118 3HG1 VAL 118 4.216 12.079 1.804 836 1HG2 VAL 118 1HG2 VAL 118 5.707 15.682 1.644 837 2HG2 VAL 118 2HG2 VAL 118 7.319 14.984 1.936 838 3HG2 VAL 118 3HG2 VAL 118 6.438 14.594 0.440 839 H ASP 119 H ASP 119 7.047 13.225 5.016 840 HA ASP 119 HA ASP 119 8.276 15.729 5.278 841 2HB ASP 119 2HB ASP 119 7.345 14.755 7.961 842 HD2 ASP 119 HD ASP 119 7.663 17.506 9.372 843 H LEU 120 H LEU 120 10.096 15.483 7.125 844 HA LEU 120 HA LEU 120 11.004 12.696 7.015 845 2HB LEU 120 2HB LEU 120 12.230 15.008 6.143 846 HG LEU 120 HG LEU 120 12.790 15.258 8.746 847 1HD1 LEU 120 1HD1 LEU 120 15.341 13.996 8.263 848 2HD1 LEU 120 2HD1 LEU 120 14.208 13.792 9.621 849 3HD1 LEU 120 3HD1 LEU 120 14.022 12.805 8.151 850 1HD2 LEU 120 1HD2 LEU 120 13.639 16.442 6.498 851 2HD2 LEU 120 2HD2 LEU 120 14.332 16.786 8.102 852 3HD2 LEU 120 3HD2 LEU 120 15.158 15.661 6.998 853 H ASN 121 H ASN 121 9.172 14.405 8.974 854 HA ASN 121 HA ASN 121 8.733 14.379 11.096 855 2HB ASN 121 2HB ASN 121 10.767 12.114 11.024 856 1HD2 ASN 121 1HD2 ASN 121 12.075 12.433 12.735 857 2HD2 ASN 121 2HD2 ASN 121 11.556 12.513 14.385 858 H SER 122 H SER 122 9.437 15.536 13.010 859 HA SER 122 HA SER 122 12.227 16.384 12.887 860 2HB SER 122 2HB SER 122 11.047 18.350 12.381 861 HG SER 122 HG SER 122 8.892 17.518 12.783
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