NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3744 | 1e52 | 4622 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LEU 8 H LEU 8 -21.287 33.441 -26.620 2 HA LEU 8 HA LEU 8 -22.734 34.346 -24.643 3 1HB LEU 8 1HB LEU 8 -24.502 34.184 -27.052 4 2HB LEU 8 2HB LEU 8 -25.233 33.888 -25.474 5 HG LEU 8 HG LEU 8 -24.068 36.059 -24.723 6 1HD1 LEU 8 1HD1 LEU 8 -23.375 35.933 -27.581 7 2HD1 LEU 8 2HD1 LEU 8 -24.065 37.479 -27.084 8 3HD1 LEU 8 3HD1 LEU 8 -22.623 36.858 -26.281 9 1HD2 LEU 8 1HD2 LEU 8 -26.562 35.606 -25.505 10 2HD2 LEU 8 2HD2 LEU 8 -26.001 37.254 -25.218 11 3HD2 LEU 8 3HD2 LEU 8 -26.090 36.626 -26.864 12 H GLU 9 H GLU 9 -23.617 32.756 -23.208 13 HA GLU 9 HA GLU 9 -23.850 30.561 -22.362 14 1HB GLU 9 1HB GLU 9 -24.839 30.220 -25.214 15 2HB GLU 9 2HB GLU 9 -25.177 29.113 -23.882 16 1HG GLU 9 1HG GLU 9 -25.887 31.588 -22.845 17 2HG GLU 9 2HG GLU 9 -26.428 31.679 -24.522 18 HA PRO 10 HA PRO 10 -20.082 29.259 -24.919 19 1HB PRO 10 1HB PRO 10 -18.111 29.996 -23.169 20 2HB PRO 10 2HB PRO 10 -18.720 31.069 -24.445 21 1HG PRO 10 2HG PRO 10 -19.348 31.038 -21.538 22 2HG PRO 10 1HG PRO 10 -19.141 32.412 -22.635 23 1HD PRO 10 1HD PRO 10 -21.575 31.475 -21.817 24 2HD PRO 10 2HD PRO 10 -21.309 32.334 -23.351 25 H ASP 11 H ASP 11 -20.372 29.245 -21.347 26 HA ASP 11 HA ASP 11 -19.006 26.799 -20.860 27 1HB ASP 11 2HB ASP 11 -21.361 28.055 -19.411 28 2HB ASP 11 1HB ASP 11 -20.221 26.901 -18.718 29 H ASN 12 H ASN 12 -22.144 27.399 -22.233 30 HA ASN 12 HA ASN 12 -22.912 24.531 -21.853 31 1HB ASN 12 1HB ASN 12 -24.380 26.470 -21.087 32 2HB ASN 12 2HB ASN 12 -24.601 26.864 -22.792 33 2HD2 ASN 12 2HD2 ASN 12 -25.728 25.246 -24.154 34 1HD2 ASN 12 1HD2 ASN 12 -26.724 24.071 -23.441 35 H VAL 13 H VAL 13 -21.131 26.060 -24.012 36 HA VAL 13 HA VAL 13 -22.614 25.388 -26.470 37 HB VAL 13 HB VAL 13 -20.144 26.864 -25.662 38 1HG1 VAL 13 1HG1 VAL 13 -20.475 25.448 -28.296 39 2HG1 VAL 13 2HG1 VAL 13 -19.676 27.020 -28.245 40 3HG1 VAL 13 3HG1 VAL 13 -19.017 25.665 -27.327 41 1HG2 VAL 13 1HG2 VAL 13 -22.667 27.567 -26.402 42 2HG2 VAL 13 2HG2 VAL 13 -21.266 28.627 -26.556 43 3HG2 VAL 13 3HG2 VAL 13 -21.823 27.694 -27.946 44 HA PRO 14 HA PRO 14 -19.179 22.139 -26.712 45 1HB PRO 14 1HB PRO 14 -17.440 21.832 -24.623 46 2HB PRO 14 2HB PRO 14 -17.165 22.974 -25.952 47 1HG PRO 14 2HG PRO 14 -17.983 23.492 -23.174 48 2HG PRO 14 1HG PRO 14 -17.149 24.540 -24.326 49 1HD PRO 14 1HD PRO 14 -19.879 24.634 -23.615 50 2HD PRO 14 2HD PRO 14 -19.074 25.532 -24.912 51 H MET 15 H MET 15 -18.983 21.864 -23.184 52 HA MET 15 HA MET 15 -21.359 20.291 -22.811 53 1HB MET 15 1HB MET 15 -19.184 19.045 -24.152 54 2HB MET 15 2HB MET 15 -19.250 18.345 -22.534 55 1HG MET 15 1HG MET 15 -21.744 18.025 -22.895 56 2HG MET 15 2HG MET 15 -21.474 18.458 -24.584 57 1HE MET 15 1HE MET 15 -21.519 16.996 -26.112 58 2HE MET 15 2HE MET 15 -21.064 15.294 -26.128 59 3HE MET 15 3HE MET 15 -22.503 15.820 -25.244 60 H ASP 16 H ASP 16 -20.744 18.685 -20.736 61 HA ASP 16 HA ASP 16 -18.820 19.960 -18.906 62 1HB ASP 16 1HB ASP 16 -20.931 21.379 -18.986 63 2HB ASP 16 2HB ASP 16 -21.786 20.004 -18.286 64 H MET 17 H MET 17 -19.186 17.264 -19.950 65 HA MET 17 HA MET 17 -20.567 15.476 -18.251 66 1HB MET 17 1HB MET 17 -18.909 13.844 -19.124 67 2HB MET 17 2HB MET 17 -19.491 14.914 -20.400 68 1HG MET 17 1HG MET 17 -17.446 16.395 -19.802 69 2HG MET 17 2HG MET 17 -16.833 14.961 -18.978 70 1HE MET 17 1HE MET 17 -15.222 16.171 -20.661 71 2HE MET 17 2HE MET 17 -14.728 15.238 -22.080 72 3HE MET 17 3HE MET 17 -15.855 16.581 -22.253 73 H SER 18 H SER 18 -17.312 16.888 -17.905 74 HA SER 18 HA SER 18 -17.400 16.380 -14.998 75 1HB SER 18 1HB SER 18 -15.463 15.057 -16.917 76 2HB SER 18 2HB SER 18 -15.194 15.126 -15.177 77 HG SER 18 HG SER 18 -17.110 13.987 -14.882 78 HA PRO 19 HA PRO 19 -14.891 19.976 -14.942 79 1HB PRO 19 1HB PRO 19 -13.193 19.525 -12.842 80 2HB PRO 19 2HB PRO 19 -14.913 19.912 -12.635 81 1HG PRO 19 2HG PRO 19 -13.547 17.265 -12.541 82 2HG PRO 19 1HG PRO 19 -14.850 17.898 -11.522 83 1HD PRO 19 1HD PRO 19 -15.276 16.153 -13.551 84 2HD PRO 19 2HD PRO 19 -16.479 17.360 -13.045 85 H LYS 20 H LYS 20 -13.531 16.983 -15.675 86 HA LYS 20 HA LYS 20 -11.625 16.376 -16.921 87 1HB LYS 20 1HB LYS 20 -12.475 18.485 -18.122 88 2HB LYS 20 2HB LYS 20 -11.200 19.353 -17.268 89 1HG LYS 20 1HG LYS 20 -10.660 16.879 -18.922 90 2HG LYS 20 2HG LYS 20 -10.583 18.509 -19.592 91 1HD LYS 20 1HD LYS 20 -9.007 19.017 -17.585 92 2HD LYS 20 2HD LYS 20 -8.846 17.264 -17.468 93 1HE LYS 20 1HE LYS 20 -8.227 17.255 -19.935 94 2HE LYS 20 2HE LYS 20 -8.132 19.024 -19.834 95 1HZ LYS 20 1HZ LYS 20 -6.645 18.733 -17.893 96 2HZ LYS 20 2HZ LYS 20 -6.626 17.063 -18.187 97 3HZ LYS 20 3HZ LYS 20 -5.980 18.134 -19.337 98 H ALA 21 H ALA 21 -10.531 19.483 -15.475 99 HA ALA 21 HA ALA 21 -7.930 18.663 -14.800 100 1HB ALA 21 1HB ALA 21 -8.206 20.494 -13.025 101 2HB ALA 21 2HB ALA 21 -8.596 20.964 -14.680 102 3HB ALA 21 3HB ALA 21 -9.890 20.598 -13.539 103 H LEU 22 H LEU 22 -10.686 18.831 -12.517 104 HA LEU 22 HA LEU 22 -9.465 17.424 -10.380 105 1HB LEU 22 1HB LEU 22 -11.441 18.576 -9.890 106 2HB LEU 22 2HB LEU 22 -12.245 18.020 -11.352 107 HG LEU 22 HG LEU 22 -12.505 15.782 -10.398 108 1HD1 LEU 22 1HD1 LEU 22 -10.929 16.976 -8.110 109 2HD1 LEU 22 2HD1 LEU 22 -11.869 15.492 -7.949 110 3HD1 LEU 22 3HD1 LEU 22 -10.520 15.564 -9.084 111 1HD2 LEU 22 1HD2 LEU 22 -13.461 18.187 -8.899 112 2HD2 LEU 22 2HD2 LEU 22 -14.387 16.983 -9.797 113 3HD2 LEU 22 3HD2 LEU 22 -13.765 16.600 -8.191 114 H GLN 23 H GLN 23 -11.863 16.105 -12.697 115 HA GLN 23 HA GLN 23 -11.671 13.386 -12.077 116 1HB GLN 23 1HB GLN 23 -13.272 14.415 -13.640 117 2HB GLN 23 2HB GLN 23 -11.966 14.748 -14.778 118 1HG GLN 23 1HG GLN 23 -11.579 12.097 -14.427 119 2HG GLN 23 2HG GLN 23 -13.318 12.176 -14.147 120 2HE2 GLN 23 2HE2 GLN 23 -11.731 11.108 -16.536 121 1HE2 GLN 23 1HE2 GLN 23 -12.387 11.920 -17.875 122 H GLN 24 H GLN 24 -9.464 15.347 -14.042 123 HA GLN 24 HA GLN 24 -7.904 13.118 -15.047 124 1HB GLN 24 1HB GLN 24 -8.024 15.331 -16.117 125 2HB GLN 24 2HB GLN 24 -7.307 16.073 -14.687 126 1HG GLN 24 2HG GLN 24 -5.497 15.790 -16.204 127 2HG GLN 24 1HG GLN 24 -5.332 14.472 -15.043 128 2HE2 GLN 24 2HE2 GLN 24 -4.893 12.521 -16.066 129 1HE2 GLN 24 1HE2 GLN 24 -5.480 12.061 -17.590 130 H LYS 25 H LYS 25 -7.662 15.273 -12.232 131 HA LYS 25 HA LYS 25 -5.062 14.332 -11.366 132 1HB LYS 25 1HB LYS 25 -7.217 16.129 -10.518 133 2HB LYS 25 2HB LYS 25 -6.426 15.331 -9.158 134 1HG LYS 25 2HG LYS 25 -5.162 17.315 -9.551 135 2HG LYS 25 1HG LYS 25 -4.207 16.003 -10.243 136 1HD LYS 25 1HD LYS 25 -5.825 16.701 -12.355 137 2HD LYS 25 2HD LYS 25 -5.537 18.261 -11.583 138 1HE LYS 25 1HE LYS 25 -3.093 16.662 -11.725 139 2HE LYS 25 2HE LYS 25 -3.781 16.982 -13.329 140 1HZ LYS 25 1HZ LYS 25 -3.582 19.089 -11.259 141 2HZ LYS 25 2HZ LYS 25 -2.314 18.788 -12.350 142 3HZ LYS 25 3HZ LYS 25 -3.836 19.275 -12.926 143 H ILE 26 H ILE 26 -8.413 13.570 -10.369 144 HA ILE 26 HA ILE 26 -7.869 11.749 -8.285 145 HB ILE 26 HB ILE 26 -10.037 11.783 -10.411 146 1HG1 ILE 26 1HG1 ILE 26 -10.203 12.779 -7.564 147 2HG1 ILE 26 2HG1 ILE 26 -9.622 13.818 -8.865 148 1HG2 ILE 26 1HG2 ILE 26 -9.896 10.371 -7.730 149 2HG2 ILE 26 2HG2 ILE 26 -11.366 10.538 -8.691 150 3HG2 ILE 26 3HG2 ILE 26 -10.004 9.609 -9.317 151 1HD1 ILE 26 1HD1 ILE 26 -12.130 12.348 -9.435 152 2HD1 ILE 26 2HD1 ILE 26 -12.245 13.592 -8.191 153 3HD1 ILE 26 3HD1 ILE 26 -11.691 14.015 -9.811 154 H HIS 27 H HIS 27 -8.459 10.954 -11.737 155 HA HIS 27 HA HIS 27 -7.843 8.178 -11.541 156 1HB HIS 27 1HB HIS 27 -8.919 9.670 -13.402 157 2HB HIS 27 2HB HIS 27 -7.258 9.881 -13.958 158 HD1 HIS 27 HD1 HIS 27 -7.177 8.376 -15.979 159 HD2 HIS 27 HD2 HIS 27 -8.818 6.461 -12.659 160 HE1 HIS 27 HE1 HIS 27 -7.474 5.946 -16.628 161 H GLU 28 H GLU 28 -5.773 10.984 -11.624 162 HA GLU 28 HA GLU 28 -3.369 9.549 -12.480 163 1HB GLU 28 1HB GLU 28 -4.239 12.271 -11.729 164 2HB GLU 28 2HB GLU 28 -2.562 11.903 -11.324 165 1HG GLU 28 1HG GLU 28 -3.415 11.006 -14.007 166 2HG GLU 28 2HG GLU 28 -3.380 12.755 -13.786 167 H LEU 29 H LEU 29 -4.641 10.808 -9.384 168 HA LEU 29 HA LEU 29 -2.381 9.936 -7.803 169 1HB LEU 29 1HB LEU 29 -5.231 10.788 -7.276 170 2HB LEU 29 2HB LEU 29 -4.157 10.317 -5.959 171 HG LEU 29 HG LEU 29 -3.184 12.310 -7.976 172 1HD1 LEU 29 1HD1 LEU 29 -5.047 12.895 -5.654 173 2HD1 LEU 29 2HD1 LEU 29 -4.128 14.122 -6.527 174 3HD1 LEU 29 3HD1 LEU 29 -5.370 13.190 -7.363 175 1HD2 LEU 29 1HD2 LEU 29 -2.695 11.635 -5.074 176 2HD2 LEU 29 2HD2 LEU 29 -1.539 11.662 -6.405 177 3HD2 LEU 29 3HD2 LEU 29 -2.166 13.175 -5.751 178 H GLU 30 H GLU 30 -5.614 8.541 -8.434 179 HA GLU 30 HA GLU 30 -5.396 6.282 -6.703 180 1HB GLU 30 1HB GLU 30 -7.398 7.265 -7.976 181 2HB GLU 30 2HB GLU 30 -6.803 6.381 -9.382 182 1HG GLU 30 1HG GLU 30 -6.768 4.556 -7.215 183 2HG GLU 30 2HG GLU 30 -8.323 5.385 -7.147 184 H GLY 31 H GLY 31 -4.510 6.674 -10.146 185 1HA GLY 31 2HA GLY 31 -3.193 5.322 -11.541 186 2HA GLY 31 1HA GLY 31 -3.665 3.958 -10.527 187 H LEU 32 H LEU 32 -2.166 6.692 -8.997 188 HA LEU 32 HA LEU 32 0.583 5.790 -9.238 189 1HB LEU 32 1HB LEU 32 -0.543 8.113 -8.667 190 2HB LEU 32 2HB LEU 32 -0.462 7.513 -7.010 191 HG LEU 32 HG LEU 32 1.996 7.014 -7.436 192 1HD1 LEU 32 1HD1 LEU 32 1.443 7.347 -10.032 193 2HD1 LEU 32 2HD1 LEU 32 1.890 9.011 -9.654 194 3HD1 LEU 32 3HD1 LEU 32 3.040 7.704 -9.375 195 1HD2 LEU 32 1HD2 LEU 32 0.660 9.598 -7.061 196 2HD2 LEU 32 2HD2 LEU 32 2.017 8.900 -6.177 197 3HD2 LEU 32 3HD2 LEU 32 2.300 9.761 -7.690 198 H MET 33 H MET 33 -1.954 5.445 -6.754 199 HA MET 33 HA MET 33 -0.474 4.287 -4.662 200 1HB MET 33 1HB MET 33 -3.255 4.260 -5.687 201 2HB MET 33 2HB MET 33 -2.844 2.943 -4.588 202 1HG MET 33 1HG MET 33 -2.410 4.383 -2.807 203 2HG MET 33 2HG MET 33 -2.050 5.746 -3.867 204 1HE MET 33 1HE MET 33 -4.575 3.082 -3.776 205 2HE MET 33 2HE MET 33 -5.256 3.640 -2.253 206 3HE MET 33 3HE MET 33 -6.164 3.844 -3.758 207 H MET 34 H MET 34 -2.129 2.570 -7.342 208 HA MET 34 HA MET 34 -1.452 -0.072 -6.749 209 1HB MET 34 1HB MET 34 -2.120 1.562 -9.096 210 2HB MET 34 2HB MET 34 -1.191 0.118 -9.499 211 1HG MET 34 1HG MET 34 -3.517 -0.095 -7.609 212 2HG MET 34 2HG MET 34 -3.808 -0.037 -9.348 213 1HE MET 34 1HE MET 34 -3.465 -1.721 -6.485 214 2HE MET 34 2HE MET 34 -3.281 -3.430 -6.874 215 3HE MET 34 3HE MET 34 -1.861 -2.449 -6.488 216 H GLN 35 H GLN 35 0.545 2.296 -8.542 217 HA GLN 35 HA GLN 35 2.723 0.671 -9.243 218 1HB GLN 35 1HB GLN 35 2.428 2.989 -9.945 219 2HB GLN 35 2HB GLN 35 2.603 3.548 -8.283 220 1HG GLN 35 2HG GLN 35 4.804 3.782 -8.740 221 2HG GLN 35 1HG GLN 35 4.890 2.021 -8.693 222 2HE2 GLN 35 2HE2 GLN 35 4.778 4.818 -10.848 223 1HE2 GLN 35 1HE2 GLN 35 5.113 3.960 -12.274 224 H HIS 36 H HIS 36 3.009 2.921 -6.493 225 HA HIS 36 HA HIS 36 5.140 1.605 -5.207 226 1HB HIS 36 1HB HIS 36 3.011 3.560 -4.540 227 2HB HIS 36 2HB HIS 36 3.823 2.809 -3.165 228 HD1 HIS 36 HD1 HIS 36 5.190 4.903 -2.530 229 HD2 HIS 36 HD2 HIS 36 5.832 3.641 -6.451 230 HE1 HIS 36 HE1 HIS 36 7.197 6.194 -3.379 231 H ALA 37 H ALA 37 1.660 1.389 -4.320 232 HA ALA 37 HA ALA 37 1.759 -0.496 -2.272 233 1HB ALA 37 1HB ALA 37 -0.518 -1.176 -3.220 234 2HB ALA 37 3HB ALA 37 -0.297 0.553 -2.950 235 3HB ALA 37 2HB ALA 37 -0.169 -0.109 -4.580 236 H GLN 38 H GLN 38 2.190 -1.032 -5.735 237 HA GLN 38 HA GLN 38 2.118 -3.957 -5.532 238 1HB GLN 38 1HB GLN 38 2.667 -1.854 -7.605 239 2HB GLN 38 2HB GLN 38 3.172 -3.512 -7.930 240 1HG GLN 38 1HG GLN 38 0.854 -4.282 -7.440 241 2HG GLN 38 2HG GLN 38 0.367 -2.599 -7.229 242 2HE2 GLN 38 2HE2 GLN 38 1.450 -1.230 -9.295 243 1HE2 GLN 38 1HE2 GLN 38 1.009 -1.889 -10.796 244 H ASN 39 H ASN 39 4.554 -1.391 -5.604 245 HA ASN 39 HA ASN 39 6.766 -3.375 -5.503 246 1HB ASN 39 1HB ASN 39 6.385 -0.472 -6.077 247 2HB ASN 39 2HB ASN 39 7.945 -0.950 -5.407 248 2HD2 ASN 39 2HD2 ASN 39 7.057 -0.122 -8.263 249 1HD2 ASN 39 1HD2 ASN 39 7.683 -1.354 -9.247 250 H LEU 40 H LEU 40 4.762 -2.803 -3.265 251 HA LEU 40 HA LEU 40 4.803 -2.578 -0.925 252 1HB LEU 40 1HB LEU 40 7.575 -3.446 -1.724 253 2HB LEU 40 2HB LEU 40 7.195 -3.152 -0.027 254 HG LEU 40 HG LEU 40 5.071 -4.660 -0.646 255 1HD1 LEU 40 1HD1 LEU 40 7.008 -5.038 -2.835 256 2HD1 LEU 40 2HD1 LEU 40 6.467 -6.540 -2.085 257 3HD1 LEU 40 3HD1 LEU 40 5.288 -5.424 -2.775 258 1HD2 LEU 40 1HD2 LEU 40 7.224 -4.965 0.929 259 2HD2 LEU 40 2HD2 LEU 40 6.090 -6.284 0.638 260 3HD2 LEU 40 3HD2 LEU 40 7.600 -6.201 -0.270 261 H GLU 41 H GLU 41 5.328 -0.155 -2.614 262 HA GLU 41 HA GLU 41 7.038 1.420 -0.720 263 1HB GLU 41 1HB GLU 41 6.239 1.710 -3.622 264 2HB GLU 41 2HB GLU 41 6.975 3.039 -2.728 265 1HG GLU 41 1HG GLU 41 8.269 0.329 -2.683 266 2HG GLU 41 2HG GLU 41 8.511 1.387 -4.073 267 H PHE 42 H PHE 42 4.042 0.611 -0.632 268 HA PHE 42 HA PHE 42 2.379 2.856 -1.054 269 1HB PHE 42 1HB PHE 42 0.906 1.635 0.574 270 2HB PHE 42 2HB PHE 42 1.532 0.621 -0.721 271 HD1 PHE 42 HD1 PHE 42 2.491 1.753 2.755 272 HD2 PHE 42 HD2 PHE 42 2.480 -1.448 -0.147 273 HE1 PHE 42 HE1 PHE 42 3.493 0.220 4.436 274 HE2 PHE 42 HE2 PHE 42 3.464 -2.974 1.538 275 HZ PHE 42 HZ PHE 42 3.973 -2.143 3.834 276 H GLU 43 H GLU 43 4.883 2.550 1.286 277 HA GLU 43 HA GLU 43 3.890 3.740 3.613 278 1HB GLU 43 1HB GLU 43 6.195 2.960 3.293 279 2HB GLU 43 2HB GLU 43 6.485 4.237 2.111 280 1HG GLU 43 1HG GLU 43 5.697 5.801 4.105 281 2HG GLU 43 2HG GLU 43 6.222 4.433 5.087 282 H GLU 44 H GLU 44 5.549 5.631 1.090 283 HA GLU 44 HA GLU 44 4.137 8.084 1.885 284 1HB GLU 44 1HB GLU 44 5.567 9.045 0.089 285 2HB GLU 44 2HB GLU 44 6.509 8.057 1.207 286 1HG GLU 44 1HG GLU 44 7.091 6.623 -0.431 287 2HG GLU 44 2HG GLU 44 5.415 6.444 -0.949 288 H ALA 45 H ALA 45 3.712 5.512 -0.404 289 HA ALA 45 HA ALA 45 2.161 6.986 -2.372 290 1HB ALA 45 1HB ALA 45 1.601 4.233 -2.508 291 2HB ALA 45 3HB ALA 45 3.246 4.334 -1.879 292 3HB ALA 45 2HB ALA 45 2.838 5.103 -3.414 293 H ALA 46 H ALA 46 1.241 4.578 0.137 294 HA ALA 46 HA ALA 46 -1.529 4.560 -0.277 295 1HB ALA 46 1HB ALA 46 0.214 4.318 2.177 296 2HB ALA 46 3HB ALA 46 -0.569 3.030 1.257 297 3HB ALA 46 2HB ALA 46 -1.533 4.106 2.270 298 H GLN 47 H GLN 47 0.438 7.120 1.077 299 HA GLN 47 HA GLN 47 -1.461 8.556 2.602 300 1HB GLN 47 1HB GLN 47 0.640 9.640 0.698 301 2HB GLN 47 2HB GLN 47 -0.026 10.471 2.104 302 1HG GLN 47 1HG GLN 47 0.801 8.239 3.330 303 2HG GLN 47 2HG GLN 47 1.939 8.229 1.982 304 2HE2 GLN 47 2HE2 GLN 47 1.052 9.890 4.945 305 1HE2 GLN 47 1HE2 GLN 47 2.342 10.993 4.939 306 H ILE 48 H ILE 48 -1.059 8.290 -0.901 307 HA ILE 48 HA ILE 48 -2.674 10.424 -1.804 308 HB ILE 48 HB ILE 48 -2.325 7.581 -2.818 309 1HG1 ILE 48 1HG1 ILE 48 -1.005 10.029 -3.951 310 2HG1 ILE 48 2HG1 ILE 48 -0.347 9.303 -2.484 311 1HG2 ILE 48 1HG2 ILE 48 -3.416 10.063 -4.176 312 2HG2 ILE 48 2HG2 ILE 48 -2.951 8.593 -5.033 313 3HG2 ILE 48 3HG2 ILE 48 -4.280 8.555 -3.874 314 1HD1 ILE 48 1HD1 ILE 48 -0.992 7.357 -4.600 315 2HD1 ILE 48 2HD1 ILE 48 0.281 8.498 -5.034 316 3HD1 ILE 48 3HD1 ILE 48 0.452 7.491 -3.596 317 H ARG 49 H ARG 49 -3.541 7.367 -0.316 318 HA ARG 49 HA ARG 49 -6.236 7.026 -0.983 319 1HB ARG 49 1HB ARG 49 -5.072 5.464 0.407 320 2HB ARG 49 2HB ARG 49 -4.666 6.704 1.586 321 1HG ARG 49 1HG ARG 49 -7.511 6.653 1.334 322 2HG ARG 49 2HG ARG 49 -6.957 4.992 1.535 323 1HD ARG 49 1HD ARG 49 -7.371 6.111 3.733 324 2HD ARG 49 2HD ARG 49 -5.668 5.651 3.540 325 HE ARG 49 HE ARG 49 -5.198 8.011 2.890 326 1HH1 ARG 49 1HH1 ARG 49 -8.471 8.016 2.843 327 2HH1 ARG 49 2HH1 ARG 49 -8.703 9.292 3.992 328 1HH2 ARG 49 1HH2 ARG 49 -5.389 9.337 5.010 329 2HH2 ARG 49 2HH2 ARG 49 -6.958 10.040 5.219 330 H ASP 50 H ASP 50 -4.792 9.406 1.212 331 HA ASP 50 HA ASP 50 -7.298 10.383 2.299 332 1HB ASP 50 1HB ASP 50 -4.969 10.587 3.272 333 2HB ASP 50 2HB ASP 50 -4.621 11.783 2.023 334 H GLN 51 H GLN 51 -5.222 11.311 -0.434 335 HA GLN 51 HA GLN 51 -6.846 13.650 -1.124 336 1HB GLN 51 2HB GLN 51 -4.727 12.117 -2.670 337 2HB GLN 51 1HB GLN 51 -5.275 13.759 -3.008 338 1HG GLN 51 1HG GLN 51 -4.352 14.593 -0.969 339 2HG GLN 51 2HG GLN 51 -4.091 12.965 -0.341 340 2HE2 GLN 51 2HE2 GLN 51 -3.357 13.942 -3.689 341 1HE2 GLN 51 1HE2 GLN 51 -1.675 13.759 -3.550 342 H LEU 52 H LEU 52 -6.555 10.282 -2.196 343 HA LEU 52 HA LEU 52 -8.203 10.494 -4.543 344 1HB LEU 52 1HB LEU 52 -6.714 8.565 -3.099 345 2HB LEU 52 2HB LEU 52 -8.355 7.928 -3.219 346 HG LEU 52 HG LEU 52 -6.999 7.245 -5.165 347 1HD1 LEU 52 1HD1 LEU 52 -9.540 8.260 -5.196 348 2HD1 LEU 52 2HD1 LEU 52 -8.760 9.255 -6.426 349 3HD1 LEU 52 3HD1 LEU 52 -8.763 7.499 -6.584 350 1HD2 LEU 52 1HD2 LEU 52 -6.285 10.086 -5.070 351 2HD2 LEU 52 2HD2 LEU 52 -5.435 8.743 -5.833 352 3HD2 LEU 52 3HD2 LEU 52 -6.747 9.555 -6.687 353 H HIS 53 H HIS 53 -8.927 9.827 -1.127 354 HA HIS 53 HA HIS 53 -11.743 9.237 -1.602 355 1HB HIS 53 1HB HIS 53 -9.947 9.751 0.766 356 2HB HIS 53 2HB HIS 53 -11.690 9.589 0.984 357 HD1 HIS 53 HD1 HIS 53 -9.620 7.626 -1.510 358 HD2 HIS 53 HD2 HIS 53 -11.729 6.988 2.029 359 HE1 HIS 53 HE1 HIS 53 -9.683 5.119 -1.157 360 H GLN 54 H GLN 54 -9.930 12.051 -0.339 361 HA GLN 54 HA GLN 54 -12.206 13.713 0.173 362 1HB GLN 54 1HB GLN 54 -9.703 13.883 0.856 363 2HB GLN 54 2HB GLN 54 -9.484 14.682 -0.701 364 1HG GLN 54 1HG GLN 54 -11.589 16.089 0.129 365 2HG GLN 54 2HG GLN 54 -10.977 15.615 1.714 366 2HE2 GLN 54 2HE2 GLN 54 -10.927 18.340 0.439 367 1HE2 GLN 54 1HE2 GLN 54 -9.291 18.792 0.405 368 H LEU 55 H LEU 55 -10.077 13.436 -2.689 369 HA LEU 55 HA LEU 55 -11.359 15.483 -4.239 370 1HB LEU 55 1HB LEU 55 -9.654 13.057 -4.809 371 2HB LEU 55 2HB LEU 55 -10.241 14.082 -6.119 372 HG LEU 55 HG LEU 55 -8.896 15.350 -3.754 373 1HD1 LEU 55 1HD1 LEU 55 -7.657 13.568 -5.763 374 2HD1 LEU 55 2HD1 LEU 55 -6.865 15.132 -5.569 375 3HD1 LEU 55 3HD1 LEU 55 -7.062 14.065 -4.178 376 1HD2 LEU 55 1HD2 LEU 55 -9.163 15.973 -6.711 377 2HD2 LEU 55 2HD2 LEU 55 -9.934 16.824 -5.372 378 3HD2 LEU 55 3HD2 LEU 55 -8.188 16.928 -5.594 379 H ARG 56 H ARG 56 -12.190 12.151 -3.568 380 HA ARG 56 HA ARG 56 -13.864 11.579 -5.805 381 1HB ARG 56 1HB ARG 56 -13.005 10.021 -4.016 382 2HB ARG 56 2HB ARG 56 -14.194 10.718 -2.914 383 1HG ARG 56 1HG ARG 56 -15.810 10.149 -5.001 384 2HG ARG 56 2HG ARG 56 -14.596 8.887 -5.222 385 1HD ARG 56 1HD ARG 56 -14.903 8.412 -2.691 386 2HD ARG 56 2HD ARG 56 -16.400 9.355 -2.843 387 HE ARG 56 HE ARG 56 -16.716 7.710 -4.933 388 1HH1 ARG 56 1HH1 ARG 56 -16.646 7.269 -1.606 389 2HH1 ARG 56 2HH1 ARG 56 -16.648 5.537 -1.659 390 1HH2 ARG 56 1HH2 ARG 56 -16.215 5.377 -5.095 391 2HH2 ARG 56 2HH2 ARG 56 -16.404 4.466 -3.634 392 H GLU 57 H GLU 57 -14.933 12.561 -2.520 393 HA GLU 57 HA GLU 57 -17.627 13.105 -3.149 394 1HB GLU 57 1HB GLU 57 -16.656 12.973 -0.887 395 2HB GLU 57 2HB GLU 57 -15.756 14.462 -1.180 396 1HG GLU 57 2HG GLU 57 -17.767 15.000 0.080 397 2HG GLU 57 1HG GLU 57 -17.929 15.645 -1.553 398 H LEU 58 H LEU 58 -14.769 15.204 -3.442 399 HA LEU 58 HA LEU 58 -16.152 17.627 -4.101 400 1HB LEU 58 1HB LEU 58 -13.397 16.516 -4.699 401 2HB LEU 58 2HB LEU 58 -13.865 18.171 -5.093 402 HG LEU 58 HG LEU 58 -14.240 17.069 -2.311 403 1HD1 LEU 58 1HD1 LEU 58 -11.741 17.493 -3.653 404 2HD1 LEU 58 2HD1 LEU 58 -11.941 18.749 -2.431 405 3HD1 LEU 58 3HD1 LEU 58 -12.017 17.048 -1.969 406 1HD2 LEU 58 1HD2 LEU 58 -15.199 19.316 -3.366 407 2HD2 LEU 58 2HD2 LEU 58 -14.579 19.287 -1.715 408 3HD2 LEU 58 3HD2 LEU 58 -13.570 19.901 -3.025 409 H PHE 59 H PHE 59 -15.524 14.740 -5.934 410 HA PHE 59 HA PHE 59 -15.406 15.624 -8.591 411 1HB PHE 59 1HB PHE 59 -15.262 13.283 -7.719 412 2HB PHE 59 2HB PHE 59 -17.007 13.305 -7.463 413 HD1 PHE 59 HD1 PHE 59 -18.571 13.521 -9.410 414 HD2 PHE 59 HD2 PHE 59 -14.313 13.028 -9.924 415 HE1 PHE 59 HE1 PHE 59 -18.932 12.894 -11.796 416 HE2 PHE 59 HE2 PHE 59 -14.673 12.401 -12.310 417 HZ PHE 59 HZ PHE 59 -16.983 12.334 -13.246 418 H ILE 60 H ILE 60 -18.331 15.111 -6.591 419 HA ILE 60 HA ILE 60 -20.145 15.996 -8.696 420 HB ILE 60 HB ILE 60 -20.485 15.638 -5.699 421 1HG1 ILE 60 1HG1 ILE 60 -21.181 13.720 -7.940 422 2HG1 ILE 60 2HG1 ILE 60 -19.667 13.635 -7.037 423 1HG2 ILE 60 1HG2 ILE 60 -22.272 16.529 -7.819 424 2HG2 ILE 60 2HG2 ILE 60 -22.873 15.065 -7.040 425 3HG2 ILE 60 3HG2 ILE 60 -22.536 16.502 -6.075 426 1HD1 ILE 60 1HD1 ILE 60 -21.020 13.490 -4.920 427 2HD1 ILE 60 2HD1 ILE 60 -22.471 13.374 -5.916 428 3HD1 ILE 60 3HD1 ILE 60 -21.240 12.113 -6.000 429 H ALA 61 H ALA 61 -19.012 17.429 -5.610 430 HA ALA 61 HA ALA 61 -20.367 19.895 -5.740 431 1HB ALA 61 1HB ALA 61 -17.507 19.547 -4.823 432 2HB ALA 61 2HB ALA 61 -18.755 20.582 -4.128 433 3HB ALA 61 3HB ALA 61 -18.855 18.832 -3.938 434 H ALA 62 H ALA 62 -17.642 18.751 -7.614 435 HA ALA 62 HA ALA 62 -16.882 21.429 -8.569 436 1HB ALA 62 1HB ALA 62 -16.033 18.578 -8.935 437 2HB ALA 62 3HB ALA 62 -15.530 19.760 -10.144 438 3HB ALA 62 2HB ALA 62 -15.070 19.975 -8.455 439 H SER 63 H SER 63 -17.622 18.528 -10.511 440 HA SER 63 HA SER 63 -19.890 19.756 -11.869 441 1HB SER 63 1HB SER 63 -17.091 19.957 -12.908 442 2HB SER 63 2HB SER 63 -18.386 19.702 -14.075 443 HG SER 63 HG SER 63 -19.049 21.671 -13.736 444 H LEU 8 H LEU 8 21.635 -35.301 23.805 445 HA LEU 8 HA LEU 8 23.130 -33.674 25.198 446 1HB LEU 8 1HB LEU 8 24.863 -35.942 24.298 447 2HB LEU 8 2HB LEU 8 25.605 -34.348 24.448 448 HG LEU 8 HG LEU 8 24.507 -34.250 26.777 449 1HD1 LEU 8 1HD1 LEU 8 23.778 -36.948 25.854 450 2HD1 LEU 8 2HD1 LEU 8 24.515 -36.920 27.456 451 3HD1 LEU 8 3HD1 LEU 8 23.066 -35.967 27.135 452 1HD2 LEU 8 1HD2 LEU 8 26.979 -34.878 26.045 453 2HD2 LEU 8 2HD2 LEU 8 26.466 -35.075 27.721 454 3HD2 LEU 8 3HD2 LEU 8 26.518 -36.471 26.645 455 H GLU 9 H GLU 9 23.987 -31.846 24.063 456 HA GLU 9 HA GLU 9 24.171 -30.405 22.198 457 1HB GLU 9 1HB GLU 9 25.116 -33.041 21.023 458 2HB GLU 9 2HB GLU 9 25.440 -31.449 20.336 459 1HG GLU 9 1HG GLU 9 26.229 -31.172 22.983 460 2HG GLU 9 2HG GLU 9 26.751 -32.806 22.572 461 HA PRO 10 HA PRO 10 20.338 -32.464 20.327 462 1HB PRO 10 1HB PRO 10 18.409 -30.993 21.593 463 2HB PRO 10 2HB PRO 10 19.032 -32.526 22.236 464 1HG PRO 10 2HG PRO 10 19.694 -29.736 23.024 465 2HG PRO 10 1HG PRO 10 19.511 -31.181 24.030 466 1HD PRO 10 1HD PRO 10 21.928 -30.137 23.297 467 2HD PRO 10 2HD PRO 10 21.668 -31.852 23.686 468 H ASP 11 H ASP 11 20.671 -29.040 21.332 469 HA ASP 11 HA ASP 11 19.245 -27.863 19.171 470 1HB ASP 11 2HB ASP 11 21.652 -26.848 20.721 471 2HB ASP 11 1HB ASP 11 20.490 -25.847 19.849 472 H ASN 12 H ASN 12 22.382 -29.365 19.258 473 HA ASN 12 HA ASN 12 23.077 -28.179 16.599 474 1HB ASN 12 1HB ASN 12 24.605 -28.008 18.632 475 2HB ASN 12 2HB ASN 12 24.816 -29.755 18.515 476 2HD2 ASN 12 2HD2 ASN 12 25.881 -30.601 16.540 477 1HD2 ASN 12 1HD2 ASN 12 26.856 -29.584 15.592 478 H VAL 13 H VAL 13 21.313 -30.681 17.496 479 HA VAL 13 HA VAL 13 22.748 -32.847 16.102 480 HB VAL 13 HB VAL 13 20.327 -32.490 17.820 481 1HG1 VAL 13 1HG1 VAL 13 20.592 -34.606 15.698 482 2HG1 VAL 13 2HG1 VAL 13 19.835 -35.007 17.240 483 3HG1 VAL 13 3HG1 VAL 13 19.150 -33.737 16.226 484 1HG2 VAL 13 1HG2 VAL 13 22.860 -33.408 18.206 485 2HG2 VAL 13 2HG2 VAL 13 21.487 -33.855 19.218 486 3HG2 VAL 13 3HG2 VAL 13 22.002 -34.920 17.910 487 HA PRO 14 HA PRO 14 19.225 -32.128 13.022 488 1HB PRO 14 1HB PRO 14 17.503 -30.034 13.380 489 2HB PRO 14 2HB PRO 14 17.243 -31.634 14.098 490 1HG PRO 14 2HG PRO 14 18.106 -29.127 15.371 491 2HG PRO 14 1HG PRO 14 17.288 -30.529 16.066 492 1HD PRO 14 1HD PRO 14 20.029 -29.883 16.279 493 2HD PRO 14 2HD PRO 14 19.233 -31.381 16.792 494 H MET 15 H MET 15 19.059 -28.669 13.777 495 HA MET 15 HA MET 15 21.398 -27.869 12.311 496 1HB MET 15 1HB MET 15 19.174 -28.785 10.796 497 2HB MET 15 2HB MET 15 19.243 -27.034 10.589 498 1HG MET 15 1HG MET 15 21.723 -27.300 10.107 499 2HG MET 15 2HG MET 15 21.442 -29.040 10.044 500 1HE MET 15 1HE MET 15 21.432 -30.082 8.204 501 2HE MET 15 2HE MET 15 20.932 -29.607 6.583 502 3HE MET 15 3HE MET 15 22.395 -28.917 7.300 503 H ASP 16 H ASP 16 20.769 -25.416 11.389 504 HA ASP 16 HA ASP 16 18.902 -24.023 13.192 505 1HB ASP 16 1HB ASP 16 21.051 -24.517 14.463 506 2HB ASP 16 2HB ASP 16 21.876 -23.453 13.323 507 H MET 17 H MET 17 19.184 -24.249 10.299 508 HA MET 17 HA MET 17 20.535 -22.113 9.034 509 1HB MET 17 1HB MET 17 18.821 -22.471 7.271 510 2HB MET 17 2HB MET 17 19.418 -24.004 7.910 511 1HG MET 17 1HG MET 17 17.424 -23.852 9.561 512 2HG MET 17 2HG MET 17 16.780 -22.647 8.446 513 1HE MET 17 1HE MET 17 15.182 -24.600 9.166 514 2HE MET 17 2HE MET 17 14.646 -25.689 7.879 515 3HE MET 17 3HE MET 17 15.807 -26.245 9.082 516 H SER 18 H SER 18 17.324 -22.173 10.580 517 HA SER 18 HA SER 18 17.434 -19.244 10.928 518 1HB SER 18 1HB SER 18 15.438 -20.692 9.166 519 2HB SER 18 2HB SER 18 15.194 -19.045 9.741 520 HG SER 18 HG SER 18 17.083 -18.444 8.679 521 HA PRO 19 HA PRO 19 15.022 -20.218 14.460 522 1HB PRO 19 1HB PRO 19 13.339 -18.071 14.682 523 2HB PRO 19 2HB PRO 19 15.071 -17.990 15.062 524 1HG PRO 19 2HG PRO 19 13.634 -17.131 12.597 525 2HG PRO 19 1HG PRO 19 14.967 -16.343 13.457 526 1HD PRO 19 1HD PRO 19 15.320 -17.786 11.189 527 2HD PRO 19 2HD PRO 19 16.561 -17.653 12.454 528 H LYS 20 H LYS 20 13.574 -20.055 11.424 529 HA LYS 20 HA LYS 20 11.637 -21.065 10.542 530 1HB LYS 20 1HB LYS 20 12.529 -22.826 12.190 531 2HB LYS 20 2HB LYS 20 11.289 -22.252 13.304 532 1HG LYS 20 1HG LYS 20 10.662 -23.124 10.477 533 2HG LYS 20 2HG LYS 20 10.619 -24.233 11.849 534 1HD LYS 20 1HD LYS 20 9.083 -22.450 12.955 535 2HD LYS 20 2HD LYS 20 8.878 -21.833 11.316 536 1HE LYS 20 1HE LYS 20 8.226 -24.189 10.614 537 2HE LYS 20 2HE LYS 20 8.180 -24.602 12.339 538 1HZ LYS 20 1HZ LYS 20 6.711 -22.652 12.664 539 2HZ LYS 20 2HZ LYS 20 6.643 -22.453 10.981 540 3HZ LYS 20 3HZ LYS 20 6.012 -23.860 11.695 541 H ALA 21 H ALA 21 10.644 -20.572 13.963 542 HA ALA 21 HA ALA 21 8.031 -19.678 13.448 543 1HB ALA 21 1HB ALA 21 10.056 -19.037 15.607 544 2HB ALA 21 3HB ALA 21 8.376 -18.509 15.705 545 3HB ALA 21 2HB ALA 21 8.758 -20.230 15.666 546 H LEU 22 H LEU 22 10.820 -17.552 14.186 547 HA LEU 22 HA LEU 22 9.586 -15.095 13.491 548 1HB LEU 22 1HB LEU 22 11.599 -14.964 14.677 549 2HB LEU 22 2HB LEU 22 12.370 -16.207 13.702 550 HG LEU 22 HG LEU 22 12.582 -14.651 11.825 551 1HD1 LEU 22 1HD1 LEU 22 11.068 -12.793 13.671 552 2HD1 LEU 22 2HD1 LEU 22 11.967 -12.222 12.265 553 3HD1 LEU 22 3HD1 LEU 22 10.606 -13.324 12.054 554 1HD2 LEU 22 1HD2 LEU 22 13.617 -13.906 14.531 555 2HD2 LEU 22 2HD2 LEU 22 14.502 -14.430 13.098 556 3HD2 LEU 22 3HD2 LEU 22 13.891 -12.778 13.204 557 H GLN 23 H GLN 23 11.919 -16.943 11.492 558 HA GLN 23 HA GLN 23 11.663 -15.566 9.073 559 1HB GLN 23 1HB GLN 23 13.270 -17.367 9.563 560 2HB GLN 23 2HB GLN 23 11.959 -18.546 9.591 561 1HG GLN 23 1HG GLN 23 11.508 -17.444 7.166 562 2HG GLN 23 2HG GLN 23 13.253 -17.207 7.273 563 2HE2 GLN 23 2HE2 GLN 23 11.607 -19.180 5.608 564 1HE2 GLN 23 1HE2 GLN 23 12.268 -20.698 5.981 565 H GLN 24 H GLN 24 9.485 -18.003 10.449 566 HA GLN 24 HA GLN 24 7.854 -18.318 8.071 567 1HB GLN 24 1HB GLN 24 8.020 -19.981 9.878 568 2HB GLN 24 2HB GLN 24 7.340 -18.822 11.021 569 1HG GLN 24 2HG GLN 24 5.504 -20.185 10.366 570 2HG GLN 24 1HG GLN 24 5.319 -18.693 9.442 571 2HE2 GLN 24 2HE2 GLN 24 4.815 -19.109 7.294 572 1HE2 GLN 24 1HE2 GLN 24 5.371 -20.439 6.397 573 H LYS 25 H LYS 25 7.704 -16.240 10.950 574 HA LYS 25 HA LYS 25 5.090 -15.131 10.374 575 1HB LYS 25 1HB LYS 25 7.303 -14.843 12.276 576 2HB LYS 25 2HB LYS 25 6.506 -13.308 11.925 577 1HG LYS 25 2HG LYS 25 5.292 -14.251 13.749 578 2HG LYS 25 1HG LYS 25 4.294 -14.533 12.322 579 1HD LYS 25 1HD LYS 25 5.904 -16.762 12.335 580 2HD LYS 25 2HD LYS 25 5.668 -16.471 14.059 581 1HE LYS 25 1HE LYS 25 3.180 -16.138 12.559 582 2HE LYS 25 2HE LYS 25 3.858 -17.769 12.384 583 1HZ LYS 25 1HZ LYS 25 3.740 -16.392 15.002 584 2HZ LYS 25 2HZ LYS 25 2.451 -17.344 14.438 585 3HZ LYS 25 3HZ LYS 25 3.979 -18.042 14.694 586 H ILE 26 H ILE 26 8.432 -13.972 9.832 587 HA ILE 26 HA ILE 26 7.864 -11.449 8.704 588 HB ILE 26 HB ILE 26 10.008 -13.502 8.063 589 1HG1 ILE 26 1HG1 ILE 26 10.233 -11.063 9.831 590 2HG1 ILE 26 2HG1 ILE 26 9.666 -12.607 10.468 591 1HG2 ILE 26 1HG2 ILE 26 9.859 -10.527 7.488 592 2HG2 ILE 26 2HG2 ILE 26 11.322 -11.499 7.327 593 3HG2 ILE 26 3HG2 ILE 26 9.928 -11.826 6.298 594 1HD1 ILE 26 1HD1 ILE 26 12.126 -12.735 8.823 595 2HD1 ILE 26 2HD1 ILE 26 12.288 -11.905 10.370 596 3HD1 ILE 26 3HD1 ILE 26 11.727 -13.576 10.321 597 H HIS 27 H HIS 27 8.390 -14.529 6.935 598 HA HIS 27 HA HIS 27 7.702 -13.541 4.352 599 1HB HIS 27 1HB HIS 27 8.795 -15.757 5.212 600 2HB HIS 27 2HB HIS 27 7.134 -16.343 5.303 601 HD1 HIS 27 HD1 HIS 27 6.988 -17.843 3.282 602 HD2 HIS 27 HD2 HIS 27 8.617 -14.119 2.358 603 HE1 HIS 27 HE1 HIS 27 7.212 -17.765 0.761 604 H GLU 28 H GLU 28 5.708 -14.419 7.074 605 HA GLU 28 HA GLU 28 3.255 -14.817 5.526 606 1HB GLU 28 1HB GLU 28 4.208 -14.883 8.321 607 2HB GLU 28 2HB GLU 28 2.527 -14.383 8.135 608 1HG GLU 28 1HG GLU 28 3.323 -16.699 6.481 609 2HG GLU 28 2HG GLU 28 3.336 -16.989 8.221 610 H LEU 29 H LEU 29 4.596 -12.220 7.586 611 HA LEU 29 HA LEU 29 2.335 -10.445 7.272 612 1HB LEU 29 1HB LEU 29 5.213 -10.197 8.154 613 2HB LEU 29 2HB LEU 29 4.144 -8.795 8.112 614 HG LEU 29 HG LEU 29 3.198 -11.295 9.471 615 1HD1 LEU 29 1HD1 LEU 29 5.105 -9.247 10.643 616 2HD1 LEU 29 2HD1 LEU 29 4.209 -10.433 11.593 617 3HD1 LEU 29 3HD1 LEU 29 5.416 -10.970 10.424 618 1HD2 LEU 29 1HD2 LEU 29 2.729 -8.319 9.671 619 2HD2 LEU 29 2HD2 LEU 29 1.556 -9.597 9.349 620 3HD2 LEU 29 3HD2 LEU 29 2.232 -9.407 10.967 621 H GLU 30 H GLU 30 5.521 -10.660 5.660 622 HA GLU 30 HA GLU 30 5.262 -8.353 4.000 623 1HB GLU 30 1HB GLU 30 7.275 -9.860 4.518 624 2HB GLU 30 2HB GLU 30 6.641 -10.951 3.285 625 1HG GLU 30 1HG GLU 30 6.582 -8.350 2.163 626 2HG GLU 30 2HG GLU 30 8.160 -8.529 2.930 627 H GLY 31 H GLY 31 4.344 -11.759 3.415 628 1HA GLY 31 2HA GLY 31 2.974 -12.702 1.758 629 2HA GLY 31 1HA GLY 31 3.425 -11.343 0.728 630 H LEU 32 H LEU 32 2.015 -10.657 3.828 631 HA LEU 32 HA LEU 32 -0.759 -10.611 2.973 632 1HB LEU 32 1HB LEU 32 0.438 -10.736 5.328 633 2HB LEU 32 2HB LEU 32 0.359 -8.976 5.231 634 HG LEU 32 HG LEU 32 -2.116 -9.232 4.707 635 1HD1 LEU 32 1HD1 LEU 32 -1.587 -11.815 4.257 636 2HD1 LEU 32 2HD1 LEU 32 -1.980 -11.934 5.972 637 3HD1 LEU 32 3HD1 LEU 32 -3.165 -11.284 4.839 638 1HD2 LEU 32 1HD2 LEU 32 -0.704 -9.628 7.247 639 2HD2 LEU 32 2HD2 LEU 32 -2.068 -8.573 6.877 640 3HD2 LEU 32 3HD2 LEU 32 -2.346 -10.270 7.270 641 H MET 33 H MET 33 1.798 -8.143 3.291 642 HA MET 33 HA MET 33 0.318 -5.800 2.821 643 1HB MET 33 1HB MET 33 3.084 -6.790 2.419 644 2HB MET 33 2HB MET 33 2.654 -5.353 1.491 645 1HG MET 33 1HG MET 33 2.283 -4.065 3.396 646 2HG MET 33 2HG MET 33 1.940 -5.472 4.402 647 1HE MET 33 1HE MET 33 4.414 -4.643 1.811 648 2HE MET 33 2HE MET 33 5.092 -3.330 2.768 649 3HE MET 33 3HE MET 33 6.018 -4.817 2.517 650 H MET 34 H MET 34 1.891 -7.882 0.359 651 HA MET 34 HA MET 34 1.154 -6.550 -1.980 652 1HB MET 34 1HB MET 34 1.832 -9.271 -1.109 653 2HB MET 34 2HB MET 34 0.857 -9.239 -2.578 654 1HG MET 34 1HG MET 34 3.200 -7.378 -2.319 655 2HG MET 34 2HG MET 34 3.472 -9.063 -2.762 656 1HE MET 34 1HE MET 34 3.116 -5.842 -3.560 657 2HE MET 34 2HE MET 34 2.875 -5.732 -5.301 658 3HE MET 34 3HE MET 34 1.490 -5.634 -4.205 659 H GLN 35 H GLN 35 -0.803 -8.943 -0.175 660 HA GLN 35 HA GLN 35 -3.033 -9.135 -1.865 661 1HB GLN 35 1HB GLN 35 -2.682 -10.474 0.143 662 2HB GLN 35 2HB GLN 35 -2.823 -9.042 1.162 663 1HG GLN 35 2HG GLN 35 -5.021 -9.541 1.319 664 2HG GLN 35 1HG GLN 35 -5.155 -8.988 -0.350 665 2HE2 GLN 35 2HE2 GLN 35 -4.994 -11.858 1.704 666 1HE2 GLN 35 1HE2 GLN 35 -5.368 -12.975 0.482 667 H HIS 36 H HIS 36 -3.229 -7.148 1.089 668 HA HIS 36 HA HIS 36 -5.377 -5.529 0.261 669 1HB HIS 36 1HB HIS 36 -3.187 -5.462 2.259 670 2HB HIS 36 2HB HIS 36 -4.001 -3.926 1.962 671 HD1 HIS 36 HD1 HIS 36 -5.303 -3.915 4.190 672 HD2 HIS 36 HD2 HIS 36 -6.028 -7.304 1.873 673 HE1 HIS 36 HE1 HIS 36 -7.285 -5.091 5.240 674 H ALA 37 H ALA 37 -1.893 -4.632 0.202 675 HA ALA 37 HA ALA 37 -2.019 -2.126 -1.009 676 1HB ALA 37 1HB ALA 37 0.056 -3.087 -0.266 677 2HB ALA 37 3HB ALA 37 -0.113 -4.457 -1.363 678 3HB ALA 37 2HB ALA 37 0.223 -2.850 -2.005 679 H GLN 38 H GLN 38 -2.498 -5.288 -2.510 680 HA GLN 38 HA GLN 38 -2.506 -4.250 -5.251 681 1HB GLN 38 1HB GLN 38 -3.026 -6.838 -3.816 682 2HB GLN 38 2HB GLN 38 -3.577 -6.670 -5.484 683 1HG GLN 38 1HG GLN 38 -1.272 -5.990 -6.143 684 2HG GLN 38 2HG GLN 38 -0.741 -6.275 -4.485 685 2HE2 GLN 38 2HE2 GLN 38 -1.812 -8.641 -3.736 686 1HE2 GLN 38 1HE2 GLN 38 -1.410 -9.892 -4.811 687 H ASN 39 H ASN 39 -4.872 -5.050 -2.744 688 HA ASN 39 HA ASN 39 -7.137 -4.371 -4.547 689 1HB ASN 39 1HB ASN 39 -6.682 -5.759 -1.945 690 2HB ASN 39 2HB ASN 39 -8.247 -4.974 -2.163 691 2HD2 ASN 39 2HD2 ASN 39 -7.374 -7.951 -2.217 692 1HD2 ASN 39 1HD2 ASN 39 -8.045 -8.536 -3.662 693 H LEU 40 H LEU 40 -5.091 -2.399 -3.419 694 HA LEU 40 HA LEU 40 -5.096 -0.223 -2.528 695 1HB LEU 40 1HB LEU 40 -7.901 -0.729 -3.505 696 2HB LEU 40 2HB LEU 40 -7.492 0.811 -2.748 697 HG LEU 40 HG LEU 40 -5.417 0.640 -4.433 698 1HD1 LEU 40 1HD1 LEU 40 -7.394 -1.338 -5.364 699 2HD1 LEU 40 2HD1 LEU 40 -6.885 -0.191 -6.603 700 3HD1 LEU 40 3HD1 LEU 40 -5.685 -1.178 -5.770 701 1HD2 LEU 40 1HD2 LEU 40 -7.556 2.248 -4.208 702 2HD2 LEU 40 2HD2 LEU 40 -6.461 2.342 -5.588 703 3HD2 LEU 40 3HD2 LEU 40 -7.980 1.457 -5.727 704 H GLU 41 H GLU 41 -5.579 -2.537 -0.678 705 HA GLU 41 HA GLU 41 -7.219 -1.167 1.425 706 1HB GLU 41 1HB GLU 41 -6.451 -4.034 0.847 707 2HB GLU 41 2HB GLU 41 -7.139 -3.555 2.398 708 1HG GLU 41 1HG GLU 41 -8.506 -2.727 -0.145 709 2HG GLU 41 2HG GLU 41 -8.735 -4.363 0.473 710 H PHE 42 H PHE 42 -4.246 -0.859 0.588 711 HA PHE 42 HA PHE 42 -2.531 -1.919 2.569 712 1HB PHE 42 1HB PHE 42 -1.066 -0.021 1.824 713 2HB PHE 42 2HB PHE 42 -1.739 -0.963 0.498 714 HD1 PHE 42 HD1 PHE 42 -2.600 2.050 2.610 715 HD2 PHE 42 HD2 PHE 42 -2.738 0.191 -1.288 716 HE1 PHE 42 HE1 PHE 42 -3.609 4.113 1.656 717 HE2 PHE 42 HE2 PHE 42 -3.727 2.253 -2.236 718 HZ PHE 42 HZ PHE 42 -4.165 4.219 -0.765 719 H GLU 43 H GLU 43 -5.014 0.418 3.022 720 HA GLU 43 HA GLU 43 -3.962 2.300 4.802 721 1HB GLU 43 1HB GLU 43 -6.291 2.223 4.030 722 2HB GLU 43 2HB GLU 43 -6.559 0.727 4.925 723 1HG GLU 43 1HG GLU 43 -5.703 2.189 6.968 724 2HG GLU 43 2HG GLU 43 -6.257 3.522 5.954 725 H GLU 44 H GLU 44 -5.600 -0.654 5.936 726 HA GLU 44 HA GLU 44 -4.112 -0.604 8.471 727 1HB GLU 44 1HB GLU 44 -5.537 -2.596 8.917 728 2HB GLU 44 2HB GLU 44 -6.492 -1.238 8.321 729 1HG GLU 44 1HG GLU 44 -7.134 -2.391 6.494 730 2HG GLU 44 2HG GLU 44 -5.469 -2.842 6.124 731 H ALA 45 H ALA 45 -3.786 -2.061 5.339 732 HA ALA 45 HA ALA 45 -2.221 -4.376 6.139 733 1HB ALA 45 1HB ALA 45 -3.365 -3.132 3.773 734 2HB ALA 45 3HB ALA 45 -1.731 -3.712 3.450 735 3HB ALA 45 2HB ALA 45 -2.957 -4.826 4.054 736 H ALA 46 H ALA 46 -1.339 -1.286 4.531 737 HA ALA 46 HA ALA 46 1.423 -1.669 4.311 738 1HB ALA 46 1HB ALA 46 1.435 0.893 4.618 739 2HB ALA 46 3HB ALA 46 0.414 0.243 3.336 740 3HB ALA 46 2HB ALA 46 -0.302 0.746 4.870 741 H GLN 47 H GLN 47 -0.454 -1.114 7.216 742 HA GLN 47 HA GLN 47 1.505 -0.079 8.971 743 1HB GLN 47 2HB GLN 47 -0.589 -2.206 9.525 744 2HB GLN 47 1HB GLN 47 0.116 -1.099 10.703 745 1HG GLN 47 1HG GLN 47 -0.757 0.719 8.942 746 2HG GLN 47 2HG GLN 47 -1.910 -0.566 8.579 747 2HE2 GLN 47 2HE2 GLN 47 -0.943 1.793 10.994 748 1HE2 GLN 47 1HE2 GLN 47 -2.204 1.475 12.085 749 H ILE 48 H ILE 48 1.050 -3.356 7.721 750 HA ILE 48 HA ILE 48 2.714 -4.842 9.453 751 HB ILE 48 HB ILE 48 2.277 -4.992 6.450 752 1HG1 ILE 48 1HG1 ILE 48 1.009 -6.779 8.504 753 2HG1 ILE 48 2HG1 ILE 48 0.350 -5.162 8.251 754 1HG2 ILE 48 1HG2 ILE 48 3.416 -7.012 8.402 755 2HG2 ILE 48 2HG2 ILE 48 2.905 -7.405 6.761 756 3HG2 ILE 48 3HG2 ILE 48 4.246 -6.290 7.025 757 1HD1 ILE 48 1HD1 ILE 48 0.918 -6.628 5.760 758 2HD1 ILE 48 2HD1 ILE 48 -0.330 -7.368 6.763 759 3HD1 ILE 48 3HD1 ILE 48 -0.510 -5.700 6.219 760 H ARG 49 H ARG 49 3.514 -2.539 6.931 761 HA ARG 49 HA ARG 49 6.190 -3.091 6.332 762 1HB ARG 49 1HB ARG 49 4.999 -1.308 5.268 763 2HB ARG 49 2HB ARG 49 4.644 -0.531 6.807 764 1HG ARG 49 1HG ARG 49 7.483 -0.771 6.599 765 2HG ARG 49 2HG ARG 49 6.885 -0.098 5.084 766 1HD ARG 49 1HD ARG 49 7.361 1.682 6.777 767 2HD ARG 49 2HD ARG 49 5.644 1.640 6.331 768 HE ARG 49 HE ARG 49 5.231 0.336 8.418 769 1HH1 ARG 49 1HH1 ARG 49 8.502 0.283 8.315 770 2HH1 ARG 49 2HH1 ARG 49 8.780 1.017 9.858 771 1HH2 ARG 49 1HH2 ARG 49 5.479 1.988 10.289 772 2HH2 ARG 49 2HH2 ARG 49 7.069 1.983 10.976 773 H ASP 50 H ASP 50 4.840 -1.666 9.284 774 HA ASP 50 HA ASP 50 7.386 -0.917 10.456 775 1HB ASP 50 1HB ASP 50 5.077 -0.032 11.002 776 2HB ASP 50 2HB ASP 50 4.744 -1.570 11.798 777 H GLN 51 H GLN 51 5.301 -3.793 10.622 778 HA GLN 51 HA GLN 51 6.980 -5.132 12.616 779 1HB GLN 51 2HB GLN 51 4.802 -6.164 10.766 780 2HB GLN 51 1HB GLN 51 5.390 -6.962 12.225 781 1HG GLN 51 1HG GLN 51 4.515 -5.245 13.635 782 2HG GLN 51 2HG GLN 51 4.216 -4.175 12.264 783 2HE2 GLN 51 2HE2 GLN 51 3.473 -7.661 12.267 784 1HE2 GLN 51 1HE2 GLN 51 1.788 -7.471 12.179 785 H LEU 52 H LEU 52 6.586 -5.188 9.092 786 HA LEU 52 HA LEU 52 8.210 -7.504 8.573 787 1HB LEU 52 1HB LEU 52 6.687 -5.563 7.184 788 2HB LEU 52 2HB LEU 52 8.308 -5.500 6.491 789 HG LEU 52 HG LEU 52 6.915 -7.165 5.319 790 1HD1 LEU 52 1HD1 LEU 52 9.481 -7.493 6.210 791 2HD1 LEU 52 2HD1 LEU 52 8.714 -8.954 6.832 792 3HD1 LEU 52 3HD1 LEU 52 8.669 -8.601 5.104 793 1HD2 LEU 52 1HD2 LEU 52 6.276 -7.886 8.087 794 2HD2 LEU 52 2HD2 LEU 52 5.382 -8.228 6.606 795 3HD2 LEU 52 3HD2 LEU 52 6.706 -9.284 7.101 796 H HIS 53 H HIS 53 8.958 -4.043 8.895 797 HA HIS 53 HA HIS 53 11.751 -4.340 8.110 798 1HB HIS 53 1HB HIS 53 10.000 -2.213 9.336 799 2HB HIS 53 2HB HIS 53 11.740 -1.965 9.192 800 HD1 HIS 53 HD1 HIS 53 9.587 -3.780 6.657 801 HD2 HIS 53 HD2 HIS 53 11.720 -0.215 7.002 802 HE1 HIS 53 HE1 HIS 53 9.586 -2.719 4.357 803 H GLN 54 H GLN 54 10.029 -3.934 11.220 804 HA GLN 54 HA GLN 54 12.355 -3.931 12.892 805 1HB GLN 54 1HB GLN 54 9.866 -3.315 13.323 806 2HB GLN 54 2HB GLN 54 9.650 -5.036 13.647 807 1HG GLN 54 1HG GLN 54 11.801 -4.653 15.172 808 2HG GLN 54 2HG GLN 54 11.196 -2.996 15.191 809 2HE2 GLN 54 2HE2 GLN 54 11.204 -5.002 17.436 810 1HE2 GLN 54 1HE2 GLN 54 9.580 -5.158 17.906 811 H LEU 55 H LEU 55 10.185 -6.584 11.865 812 HA LEU 55 HA LEU 55 11.502 -8.662 13.342 813 1HB LEU 55 1HB LEU 55 9.725 -8.502 10.906 814 2HB LEU 55 2HB LEU 55 10.323 -10.055 11.492 815 HG LEU 55 HG LEU 55 9.043 -8.150 13.427 816 1HD1 LEU 55 1HD1 LEU 55 7.731 -9.553 11.179 817 2HD1 LEU 55 2HD1 LEU 55 6.985 -9.818 12.754 818 3HD1 LEU 55 3HD1 LEU 55 7.168 -8.179 12.130 819 1HD2 LEU 55 1HD2 LEU 55 9.290 -11.162 13.164 820 2HD2 LEU 55 2HD2 LEU 55 10.101 -10.128 14.341 821 3HD2 LEU 55 3HD2 LEU 55 8.355 -10.364 14.429 822 H ARG 56 H ARG 56 12.252 -7.063 10.322 823 HA ARG 56 HA ARG 56 13.883 -9.047 9.082 824 1HB ARG 56 1HB ARG 56 13.005 -6.881 8.131 825 2HB ARG 56 2HB ARG 56 14.226 -6.032 9.080 826 1HG ARG 56 1HG ARG 56 15.799 -7.873 7.887 827 2HG ARG 56 2HG ARG 56 14.549 -7.717 6.652 828 1HD ARG 56 1HD ARG 56 14.874 -5.157 6.915 829 2HD ARG 56 2HD ARG 56 16.394 -5.580 7.730 830 HE ARG 56 HE ARG 56 16.638 -7.110 5.545 831 1HH1 ARG 56 1HH1 ARG 56 16.598 -3.796 6.081 832 2HH1 ARG 56 2HH1 ARG 56 16.553 -3.348 4.409 833 1HH2 ARG 56 1HH2 ARG 56 16.074 -6.592 3.280 834 2HH2 ARG 56 2HH2 ARG 56 16.256 -4.931 2.823 835 H GLU 57 H GLU 57 15.019 -6.188 10.934 836 HA GLU 57 HA GLU 57 17.718 -6.958 11.197 837 1HB GLU 57 1HB GLU 57 16.770 -4.750 11.750 838 2HB GLU 57 2HB GLU 57 15.907 -5.456 13.117 839 1HG GLU 57 1HG GLU 57 17.947 -4.411 13.935 840 2HG GLU 57 2HG GLU 57 18.107 -6.162 14.079 841 H LEU 58 H LEU 58 14.913 -7.831 13.207 842 HA LEU 58 HA LEU 58 16.353 -9.165 15.296 843 1HB LEU 58 1HB LEU 58 13.562 -9.409 14.140 844 2HB LEU 58 2HB LEU 58 14.069 -10.263 15.598 845 HG LEU 58 HG LEU 58 14.448 -7.283 15.331 846 1HD1 LEU 58 1HD1 LEU 58 11.946 -8.681 15.423 847 2HD1 LEU 58 2HD1 LEU 58 12.194 -7.873 16.971 848 3HD1 LEU 58 3HD1 LEU 58 12.229 -6.941 15.474 849 1HD2 LEU 58 1HD2 LEU 58 15.454 -8.943 17.151 850 2HD2 LEU 58 2HD2 LEU 58 14.853 -7.352 17.616 851 3HD2 LEU 58 3HD2 LEU 58 13.845 -8.779 17.856 852 H PHE 59 H PHE 59 15.625 -10.087 12.023 853 HA PHE 59 HA PHE 59 15.499 -12.886 12.107 854 1HB PHE 59 1HB PHE 59 15.303 -11.376 10.122 855 2HB PHE 59 2HB PHE 59 17.051 -11.144 10.165 856 HD1 PHE 59 HD1 PHE 59 18.596 -13.077 9.766 857 HD2 PHE 59 HD2 PHE 59 14.320 -13.411 9.271 858 HE1 PHE 59 HE1 PHE 59 18.910 -15.183 8.469 859 HE2 PHE 59 HE2 PHE 59 14.634 -15.516 7.974 860 HZ PHE 59 HZ PHE 59 16.929 -16.403 7.573 861 H ILE 60 H ILE 60 18.433 -10.834 12.108 862 HA ILE 60 HA ILE 60 20.245 -13.112 12.296 863 HB ILE 60 HB ILE 60 20.612 -10.141 12.805 864 1HG1 ILE 60 1HG1 ILE 60 21.228 -11.736 10.303 865 2HG1 ILE 60 2HG1 ILE 60 19.724 -10.842 10.527 866 1HG2 ILE 60 1HG2 ILE 60 22.396 -12.434 12.995 867 2HG2 ILE 60 2HG2 ILE 60 22.967 -11.270 11.800 868 3HG2 ILE 60 3HG2 ILE 60 22.681 -10.758 13.463 869 1HD1 ILE 60 1HD1 ILE 60 21.097 -8.778 10.957 870 2HD1 ILE 60 2HD1 ILE 60 22.532 -9.704 10.518 871 3HD1 ILE 60 3HD1 ILE 60 21.268 -9.417 9.322 872 H ALA 61 H ALA 61 19.189 -10.565 14.589 873 HA ALA 61 HA ALA 61 20.608 -11.406 16.872 874 1HB ALA 61 1HB ALA 61 19.090 -9.367 16.416 875 2HB ALA 61 3HB ALA 61 19.035 -10.053 18.040 876 3HB ALA 61 2HB ALA 61 17.751 -10.415 16.886 877 H ALA 62 H ALA 62 17.831 -12.860 15.317 878 HA ALA 62 HA ALA 62 17.130 -14.541 17.628 879 1HB ALA 62 1HB ALA 62 16.201 -14.068 14.818 880 2HB ALA 62 3HB ALA 62 15.716 -15.564 15.616 881 3HB ALA 62 2HB ALA 62 15.282 -14.007 16.322 882 H SER 63 H SER 63 17.769 -15.569 14.271 883 HA SER 63 HA SER 63 20.052 -17.233 14.990 884 1HB SER 63 1HB SER 63 17.247 -18.274 14.964 885 2HB SER 63 2HB SER 63 18.520 -19.323 14.348 886 HG SER 63 HG SER 63 19.240 -19.569 16.311 No H/Q in entry = 886 Start of MODEL 2 1 H LEU 8 H LEU 8 -15.487 22.789 -29.132 2 HA LEU 8 HA LEU 8 -16.064 24.677 -31.303 3 1HB LEU 8 1HB LEU 8 -13.551 23.044 -31.114 4 2HB LEU 8 2HB LEU 8 -14.254 23.351 -32.703 5 HG LEU 8 HG LEU 8 -14.346 25.831 -31.948 6 1HD1 LEU 8 1HD1 LEU 8 -12.606 24.548 -29.856 7 2HD1 LEU 8 2HD1 LEU 8 -12.293 26.208 -30.360 8 3HD1 LEU 8 3HD1 LEU 8 -13.854 25.779 -29.660 9 1HD2 LEU 8 1HD2 LEU 8 -11.996 24.203 -32.806 10 2HD2 LEU 8 2HD2 LEU 8 -12.823 25.511 -33.650 11 3HD2 LEU 8 3HD2 LEU 8 -11.691 25.879 -32.350 12 H GLU 9 H GLU 9 -18.112 23.573 -31.328 13 HA GLU 9 HA GLU 9 -19.624 21.871 -31.968 14 1HB GLU 9 1HB GLU 9 -17.794 22.320 -33.925 15 2HB GLU 9 2HB GLU 9 -17.513 20.604 -33.633 16 1HG GLU 9 2HG GLU 9 -19.248 20.342 -35.095 17 2HG GLU 9 1HG GLU 9 -20.229 20.649 -33.662 18 HA PRO 10 HA PRO 10 -17.407 18.837 -29.200 19 1HB PRO 10 1HB PRO 10 -19.227 18.894 -27.157 20 2HB PRO 10 2HB PRO 10 -17.853 20.013 -27.257 21 1HG PRO 10 2HG PRO 10 -20.712 20.459 -27.945 22 2HG PRO 10 1HG PRO 10 -19.549 21.554 -27.182 23 1HD PRO 10 1HD PRO 10 -20.268 21.700 -29.814 24 2HD PRO 10 2HD PRO 10 -18.705 22.261 -29.184 25 H ASP 11 H ASP 11 -20.945 19.222 -29.590 26 HA ASP 11 HA ASP 11 -22.606 17.667 -30.207 27 1HB ASP 11 1HB ASP 11 -20.136 17.036 -31.617 28 2HB ASP 11 2HB ASP 11 -21.110 15.589 -31.358 29 H ASN 12 H ASN 12 -20.069 15.238 -29.755 30 HA ASN 12 HA ASN 12 -21.138 14.490 -27.094 31 1HB ASN 12 1HB ASN 12 -21.656 12.197 -27.925 32 2HB ASN 12 2HB ASN 12 -22.636 13.427 -28.726 33 2HD2 ASN 12 2HD2 ASN 12 -19.641 11.489 -29.176 34 1HD2 ASN 12 1HD2 ASN 12 -19.708 11.502 -30.872 35 H VAL 13 H VAL 13 -18.500 15.226 -28.636 36 HA VAL 13 HA VAL 13 -16.869 12.819 -28.199 37 HB VAL 13 HB VAL 13 -16.556 15.567 -29.356 38 1HG1 VAL 13 1HG1 VAL 13 -14.401 14.045 -28.020 39 2HG1 VAL 13 2HG1 VAL 13 -14.038 14.524 -29.678 40 3HG1 VAL 13 3HG1 VAL 13 -14.453 15.747 -28.477 41 1HG2 VAL 13 1HG2 VAL 13 -16.003 12.730 -30.238 42 2HG2 VAL 13 2HG2 VAL 13 -17.251 13.822 -30.839 43 3HG2 VAL 13 3HG2 VAL 13 -15.553 14.140 -31.196 44 HA PRO 14 HA PRO 14 -14.938 15.461 -24.753 45 1HB PRO 14 1HB PRO 14 -15.903 17.970 -24.258 46 2HB PRO 14 2HB PRO 14 -14.612 17.651 -25.434 47 1HG PRO 14 2HG PRO 14 -17.503 18.162 -25.891 48 2HG PRO 14 1HG PRO 14 -16.099 18.671 -26.842 49 1HD PRO 14 1HD PRO 14 -17.731 16.584 -27.523 50 2HD PRO 14 2HD PRO 14 -16.037 16.738 -28.023 51 H MET 15 H MET 15 -18.357 16.447 -25.101 52 HA MET 15 HA MET 15 -20.181 16.203 -23.625 53 1HB MET 15 1HB MET 15 -18.639 13.810 -23.787 54 2HB MET 15 2HB MET 15 -19.169 13.980 -22.114 55 1HG MET 15 1HG MET 15 -21.331 13.572 -22.645 56 2HG MET 15 2HG MET 15 -21.270 14.636 -24.050 57 1HE MET 15 1HE MET 15 -22.991 12.961 -24.534 58 2HE MET 15 2HE MET 15 -22.683 11.679 -25.702 59 3HE MET 15 3HE MET 15 -22.707 11.305 -23.981 60 H ASP 16 H ASP 16 -20.290 15.368 -20.960 61 HA ASP 16 HA ASP 16 -18.355 17.170 -19.547 62 1HB ASP 16 1HB ASP 16 -21.369 16.972 -19.241 63 2HB ASP 16 2HB ASP 16 -20.320 17.960 -18.223 64 H MET 17 H MET 17 -18.176 14.309 -19.715 65 HA MET 17 HA MET 17 -19.415 12.892 -17.581 66 1HB MET 17 1HB MET 17 -17.513 11.335 -17.938 67 2HB MET 17 2HB MET 17 -18.185 11.891 -19.471 68 1HG MET 17 1HG MET 17 -16.364 13.806 -19.175 69 2HG MET 17 2HG MET 17 -15.574 12.580 -18.184 70 1HE MET 17 1HE MET 17 -14.930 10.430 -18.761 71 2HE MET 17 2HE MET 17 -16.322 9.764 -19.611 72 3HE MET 17 3HE MET 17 -14.733 9.719 -20.369 73 H SER 18 H SER 18 -16.571 14.995 -17.644 74 HA SER 18 HA SER 18 -16.620 15.160 -14.698 75 1HB SER 18 1HB SER 18 -14.096 14.267 -16.099 76 2HB SER 18 2HB SER 18 -14.466 14.203 -14.378 77 HG SER 18 HG SER 18 -14.994 12.217 -14.899 78 HA PRO 19 HA PRO 19 -14.893 19.078 -15.711 79 1HB PRO 19 1HB PRO 19 -13.702 19.768 -13.355 80 2HB PRO 19 2HB PRO 19 -15.460 19.716 -13.577 81 1HG PRO 19 1HG PRO 19 -13.708 17.883 -12.114 82 2HG PRO 19 2HG PRO 19 -15.440 18.171 -11.935 83 1HD PRO 19 1HD PRO 19 -14.164 15.996 -13.259 84 2HD PRO 19 2HD PRO 19 -15.904 16.338 -13.156 85 H LYS 20 H LYS 20 -13.013 16.551 -15.911 86 HA LYS 20 HA LYS 20 -10.813 16.198 -16.675 87 1HB LYS 20 1HB LYS 20 -11.566 18.330 -17.921 88 2HB LYS 20 2HB LYS 20 -10.578 19.207 -16.753 89 1HG LYS 20 1HG LYS 20 -9.383 16.857 -18.178 90 2HG LYS 20 2HG LYS 20 -9.523 18.392 -19.035 91 1HD LYS 20 1HD LYS 20 -8.535 19.131 -16.544 92 2HD LYS 20 2HD LYS 20 -7.684 17.626 -16.896 93 1HE LYS 20 1HE LYS 20 -7.663 19.035 -19.329 94 2HE LYS 20 2HE LYS 20 -7.296 20.248 -18.086 95 1HZ LYS 20 1HZ LYS 20 -6.037 17.560 -18.190 96 2HZ LYS 20 2HZ LYS 20 -5.324 18.953 -18.851 97 3HZ LYS 20 3HZ LYS 20 -5.608 18.857 -17.181 98 H ALA 21 H ALA 21 -10.472 19.253 -14.817 99 HA ALA 21 HA ALA 21 -8.003 18.813 -13.638 100 1HB ALA 21 1HB ALA 21 -9.093 20.884 -13.315 101 2HB ALA 21 3HB ALA 21 -10.551 20.116 -12.685 102 3HB ALA 21 2HB ALA 21 -9.088 20.170 -11.703 103 H LEU 22 H LEU 22 -11.142 17.683 -12.353 104 HA LEU 22 HA LEU 22 -9.884 16.267 -10.112 105 1HB LEU 22 1HB LEU 22 -12.653 16.531 -11.296 106 2HB LEU 22 2HB LEU 22 -12.333 15.421 -9.962 107 HG LEU 22 HG LEU 22 -11.324 17.369 -8.703 108 1HD1 LEU 22 1HD1 LEU 22 -12.248 18.719 -11.207 109 2HD1 LEU 22 2HD1 LEU 22 -12.369 19.605 -9.688 110 3HD1 LEU 22 3HD1 LEU 22 -10.802 19.017 -10.245 111 1HD2 LEU 22 1HD2 LEU 22 -14.220 17.265 -9.535 112 2HD2 LEU 22 2HD2 LEU 22 -13.495 16.782 -8.002 113 3HD2 LEU 22 3HD2 LEU 22 -13.661 18.493 -8.400 114 H GLN 23 H GLN 23 -11.568 15.365 -13.115 115 HA GLN 23 HA GLN 23 -11.420 12.560 -12.948 116 1HB GLN 23 1HB GLN 23 -12.546 14.037 -14.672 117 2HB GLN 23 2HB GLN 23 -10.964 14.257 -15.420 118 1HG GLN 23 1HG GLN 23 -10.763 11.829 -15.751 119 2HG GLN 23 2HG GLN 23 -12.327 11.585 -14.973 120 2HE2 GLN 23 2HE2 GLN 23 -11.410 14.152 -17.314 121 1HE2 GLN 23 1HE2 GLN 23 -12.553 13.703 -18.487 122 H GLN 24 H GLN 24 -9.031 14.708 -14.553 123 HA GLN 24 HA GLN 24 -7.103 12.669 -15.088 124 1HB GLN 24 1HB GLN 24 -7.258 14.962 -16.089 125 2HB GLN 24 2HB GLN 24 -6.698 15.630 -14.555 126 1HG GLN 24 2HG GLN 24 -4.678 15.444 -15.680 127 2HG GLN 24 1HG GLN 24 -4.741 13.869 -14.888 128 2HE2 GLN 24 2HE2 GLN 24 -3.872 12.439 -16.421 129 1HE2 GLN 24 1HE2 GLN 24 -4.399 12.323 -18.031 130 H LYS 25 H LYS 25 -7.341 14.995 -12.375 131 HA LYS 25 HA LYS 25 -5.001 14.217 -10.971 132 1HB LYS 25 1HB LYS 25 -7.678 15.397 -10.252 133 2HB LYS 25 2HB LYS 25 -6.494 15.057 -8.989 134 1HG LYS 25 1HG LYS 25 -4.849 16.479 -10.068 135 2HG LYS 25 2HG LYS 25 -5.912 16.718 -11.456 136 1HD LYS 25 2HD LYS 25 -6.359 18.648 -10.246 137 2HD LYS 25 1HD LYS 25 -7.605 17.572 -9.609 138 1HE LYS 25 2HE LYS 25 -6.615 18.486 -7.655 139 2HE LYS 25 1HE LYS 25 -5.790 16.923 -7.832 140 1HZ LYS 25 1HZ LYS 25 -4.081 18.067 -9.163 141 2HZ LYS 25 2HZ LYS 25 -4.829 19.555 -8.826 142 3HZ LYS 25 3HZ LYS 25 -4.148 18.645 -7.566 143 H ILE 26 H ILE 26 -8.370 13.075 -10.491 144 HA ILE 26 HA ILE 26 -7.886 11.168 -8.472 145 HB ILE 26 HB ILE 26 -9.814 11.164 -10.818 146 1HG1 ILE 26 1HG1 ILE 26 -10.389 11.938 -7.959 147 2HG1 ILE 26 2HG1 ILE 26 -9.731 13.112 -9.098 148 1HG2 ILE 26 1HG2 ILE 26 -9.822 9.589 -8.226 149 2HG2 ILE 26 2HG2 ILE 26 -11.199 9.704 -9.322 150 3HG2 ILE 26 3HG2 ILE 26 -9.707 8.932 -9.859 151 1HD1 ILE 26 1HD1 ILE 26 -11.868 11.724 -10.394 152 2HD1 ILE 26 2HD1 ILE 26 -12.443 12.266 -8.818 153 3HD1 ILE 26 3HD1 ILE 26 -11.782 13.432 -9.962 154 H HIS 27 H HIS 27 -8.120 10.488 -11.992 155 HA HIS 27 HA HIS 27 -7.210 7.792 -11.850 156 1HB HIS 27 1HB HIS 27 -7.270 9.953 -13.956 157 2HB HIS 27 2HB HIS 27 -6.625 8.352 -14.323 158 HD1 HIS 27 HD1 HIS 27 -8.357 6.868 -15.304 159 HD2 HIS 27 HD2 HIS 27 -10.017 9.524 -12.553 160 HE1 HIS 27 HE1 HIS 27 -10.838 6.366 -15.231 161 H GLU 28 H GLU 28 -5.450 10.840 -11.898 162 HA GLU 28 HA GLU 28 -2.859 9.625 -12.514 163 1HB GLU 28 1HB GLU 28 -3.945 12.313 -11.716 164 2HB GLU 28 2HB GLU 28 -2.204 12.034 -11.667 165 1HG GLU 28 1HG GLU 28 -3.962 11.539 -14.088 166 2HG GLU 28 2HG GLU 28 -2.949 12.965 -13.855 167 H LEU 29 H LEU 29 -4.508 10.820 -9.582 168 HA LEU 29 HA LEU 29 -2.266 10.317 -7.813 169 1HB LEU 29 1HB LEU 29 -5.229 10.832 -7.505 170 2HB LEU 29 2HB LEU 29 -4.186 10.573 -6.107 171 HG LEU 29 HG LEU 29 -3.498 12.610 -8.224 172 1HD1 LEU 29 1HD1 LEU 29 -5.814 12.972 -7.178 173 2HD1 LEU 29 2HD1 LEU 29 -4.964 13.226 -5.654 174 3HD1 LEU 29 3HD1 LEU 29 -4.665 14.300 -7.020 175 1HD2 LEU 29 1HD2 LEU 29 -2.432 11.703 -5.648 176 2HD2 LEU 29 2HD2 LEU 29 -1.646 12.643 -6.916 177 3HD2 LEU 29 3HD2 LEU 29 -2.654 13.452 -5.716 178 H GLU 30 H GLU 30 -5.146 8.468 -8.776 179 HA GLU 30 HA GLU 30 -4.834 6.338 -6.859 180 1HB GLU 30 1HB GLU 30 -6.769 7.129 -8.512 181 2HB GLU 30 2HB GLU 30 -6.029 5.932 -9.577 182 1HG GLU 30 1HG GLU 30 -6.415 5.029 -6.793 183 2HG GLU 30 2HG GLU 30 -7.908 5.339 -7.681 184 H GLY 31 H GLY 31 -3.851 6.656 -10.289 185 1HA GLY 31 2HA GLY 31 -2.180 5.531 -11.493 186 2HA GLY 31 1HA GLY 31 -2.680 4.099 -10.591 187 H LEU 32 H LEU 32 -1.394 7.056 -9.141 188 HA LEU 32 HA LEU 32 1.335 6.164 -8.883 189 1HB LEU 32 1HB LEU 32 0.338 8.511 -8.715 190 2HB LEU 32 2HB LEU 32 -0.195 8.070 -7.091 191 HG LEU 32 HG LEU 32 2.159 7.530 -6.493 192 1HD1 LEU 32 1HD1 LEU 32 2.467 7.864 -9.366 193 2HD1 LEU 32 2HD1 LEU 32 3.602 8.882 -8.479 194 3HD1 LEU 32 3HD1 LEU 32 3.577 7.140 -8.204 195 1HD2 LEU 32 1HD2 LEU 32 0.965 10.000 -6.664 196 2HD2 LEU 32 2HD2 LEU 32 2.524 9.698 -5.897 197 3HD2 LEU 32 3HD2 LEU 32 2.457 10.264 -7.566 198 H MET 33 H MET 33 -1.530 5.895 -6.800 199 HA MET 33 HA MET 33 -0.195 4.812 -4.491 200 1HB MET 33 1HB MET 33 -2.758 5.610 -5.315 201 2HB MET 33 2HB MET 33 -2.927 3.901 -4.920 202 1HG MET 33 1HG MET 33 -1.961 4.281 -2.705 203 2HG MET 33 2HG MET 33 -1.659 5.970 -3.100 204 1HE MET 33 1HE MET 33 -3.995 3.266 -3.462 205 2HE MET 33 2HE MET 33 -5.226 3.553 -2.237 206 3HE MET 33 3HE MET 33 -5.499 4.094 -3.893 207 H MET 34 H MET 34 -1.230 3.419 -7.528 208 HA MET 34 HA MET 34 -1.234 0.647 -6.589 209 1HB MET 34 1HB MET 34 -2.514 1.791 -8.537 210 2HB MET 34 2HB MET 34 -1.008 1.618 -9.438 211 1HG MET 34 1HG MET 34 -1.846 -0.432 -9.976 212 2HG MET 34 2HG MET 34 -1.258 -0.884 -8.376 213 1HE MET 34 1HE MET 34 -2.247 -1.719 -6.801 214 2HE MET 34 2HE MET 34 -3.267 -0.510 -6.025 215 3HE MET 34 3HE MET 34 -3.954 -2.060 -6.529 216 H GLN 35 H GLN 35 0.860 2.419 -8.914 217 HA GLN 35 HA GLN 35 2.854 0.495 -9.282 218 1HB GLN 35 1HB GLN 35 4.298 2.482 -9.753 219 2HB GLN 35 2HB GLN 35 2.700 2.621 -10.485 220 1HG GLN 35 1HG GLN 35 1.946 4.002 -8.584 221 2HG GLN 35 2HG GLN 35 3.546 3.869 -7.854 222 2HE2 GLN 35 2HE2 GLN 35 1.864 5.113 -10.769 223 1HE2 GLN 35 1HE2 GLN 35 3.034 6.289 -11.132 224 H HIS 36 H HIS 36 2.404 2.685 -6.536 225 HA HIS 36 HA HIS 36 4.953 1.980 -5.279 226 1HB HIS 36 1HB HIS 36 2.459 3.495 -4.479 227 2HB HIS 36 2HB HIS 36 3.823 3.285 -3.381 228 HD1 HIS 36 HD1 HIS 36 6.159 3.622 -5.354 229 HD2 HIS 36 HD2 HIS 36 2.833 6.134 -5.285 230 HE1 HIS 36 HE1 HIS 36 6.883 5.800 -6.425 231 H ALA 37 H ALA 37 1.523 1.437 -4.357 232 HA ALA 37 HA ALA 37 1.868 -0.310 -2.205 233 1HB ALA 37 1HB ALA 37 -0.351 -1.306 -3.274 234 2HB ALA 37 2HB ALA 37 -0.326 0.348 -2.659 235 3HB ALA 37 3HB ALA 37 -0.161 0.046 -4.390 236 H GLN 38 H GLN 38 2.328 -0.938 -5.630 237 HA GLN 38 HA GLN 38 2.418 -3.850 -5.377 238 1HB GLN 38 1HB GLN 38 2.678 -1.740 -7.423 239 2HB GLN 38 2HB GLN 38 3.689 -3.154 -7.723 240 1HG GLN 38 1HG GLN 38 1.583 -4.551 -7.247 241 2HG GLN 38 2HG GLN 38 0.688 -3.040 -7.410 242 2HE2 GLN 38 2HE2 GLN 38 1.408 -5.673 -9.196 243 1HE2 GLN 38 1HE2 GLN 38 1.551 -4.977 -10.737 244 H ASN 39 H ASN 39 4.774 -1.191 -5.554 245 HA ASN 39 HA ASN 39 7.031 -3.097 -5.204 246 1HB ASN 39 1HB ASN 39 6.758 -0.130 -5.767 247 2HB ASN 39 2HB ASN 39 8.319 -0.911 -5.510 248 2HD2 ASN 39 2HD2 ASN 39 7.423 0.320 -8.037 249 1HD2 ASN 39 1HD2 ASN 39 7.391 -0.921 -9.194 250 H LEU 40 H LEU 40 5.002 -2.500 -3.065 251 HA LEU 40 HA LEU 40 4.974 -2.064 -0.754 252 1HB LEU 40 1HB LEU 40 7.860 -2.672 -1.404 253 2HB LEU 40 2HB LEU 40 7.347 -2.351 0.252 254 HG LEU 40 HG LEU 40 5.441 -4.133 -0.517 255 1HD1 LEU 40 1HD1 LEU 40 7.858 -4.533 -2.224 256 2HD1 LEU 40 2HD1 LEU 40 7.086 -5.971 -1.557 257 3HD1 LEU 40 3HD1 LEU 40 6.164 -4.870 -2.580 258 1HD2 LEU 40 1HD2 LEU 40 6.863 -4.197 1.525 259 2HD2 LEU 40 2HD2 LEU 40 6.726 -5.785 0.770 260 3HD2 LEU 40 3HD2 LEU 40 8.194 -4.830 0.557 261 H GLU 41 H GLU 41 5.380 0.216 -2.705 262 HA GLU 41 HA GLU 41 6.928 2.121 -1.003 263 1HB GLU 41 1HB GLU 41 6.777 1.644 -3.734 264 2HB GLU 41 2HB GLU 41 5.769 3.075 -3.525 265 1HG GLU 41 2HG GLU 41 7.782 4.154 -3.671 266 2HG GLU 41 1HG GLU 41 7.852 3.767 -1.952 267 H PHE 42 H PHE 42 3.964 0.992 -0.783 268 HA PHE 42 HA PHE 42 2.128 3.099 -1.153 269 1HB PHE 42 1HB PHE 42 0.839 1.830 0.618 270 2HB PHE 42 2HB PHE 42 1.407 0.850 -0.730 271 HD1 PHE 42 HD1 PHE 42 2.582 2.032 2.656 272 HD2 PHE 42 HD2 PHE 42 2.511 -1.162 -0.251 273 HE1 PHE 42 HE1 PHE 42 3.802 0.551 4.243 274 HE2 PHE 42 HE2 PHE 42 3.716 -2.627 1.325 275 HZ PHE 42 HZ PHE 42 4.364 -1.780 3.581 276 H GLU 43 H GLU 43 4.714 2.910 1.144 277 HA GLU 43 HA GLU 43 3.695 4.219 3.404 278 1HB GLU 43 1HB GLU 43 6.079 5.296 3.421 279 2HB GLU 43 2HB GLU 43 5.944 3.547 3.520 280 1HG GLU 43 1HG GLU 43 6.037 4.235 0.746 281 2HG GLU 43 2HG GLU 43 7.324 5.117 1.560 282 H GLU 44 H GLU 44 5.256 5.951 0.665 283 HA GLU 44 HA GLU 44 3.930 8.460 1.434 284 1HB GLU 44 1HB GLU 44 5.222 9.301 -0.525 285 2HB GLU 44 2HB GLU 44 6.244 8.389 0.587 286 1HG GLU 44 1HG GLU 44 6.416 6.566 -0.847 287 2HG GLU 44 2HG GLU 44 4.900 6.939 -1.670 288 H ALA 45 H ALA 45 3.352 5.765 -0.677 289 HA ALA 45 HA ALA 45 1.632 7.142 -2.584 290 1HB ALA 45 1HB ALA 45 1.165 4.345 -2.538 291 2HB ALA 45 3HB ALA 45 2.869 4.571 -2.139 292 3HB ALA 45 2HB ALA 45 2.217 5.237 -3.638 293 H ALA 46 H ALA 46 0.916 4.620 -0.130 294 HA ALA 46 HA ALA 46 -1.828 4.491 -0.203 295 1HB ALA 46 1HB ALA 46 0.090 4.551 2.134 296 2HB ALA 46 3HB ALA 46 -0.555 3.136 1.300 297 3HB ALA 46 2HB ALA 46 -1.607 4.119 2.318 298 H GLN 47 H GLN 47 0.061 7.201 1.036 299 HA GLN 47 HA GLN 47 -1.976 8.535 2.520 300 1HB GLN 47 1HB GLN 47 0.288 9.653 0.837 301 2HB GLN 47 2HB GLN 47 -0.541 10.503 2.140 302 1HG GLN 47 1HG GLN 47 0.474 7.856 2.920 303 2HG GLN 47 2HG GLN 47 1.741 8.992 2.455 304 2HE2 GLN 47 2HE2 GLN 47 1.048 8.010 5.213 305 1HE2 GLN 47 1HE2 GLN 47 0.704 9.406 6.115 306 H ILE 48 H ILE 48 -1.321 8.352 -0.951 307 HA ILE 48 HA ILE 48 -2.861 10.511 -1.917 308 HB ILE 48 HB ILE 48 -2.495 7.690 -2.974 309 1HG1 ILE 48 1HG1 ILE 48 -1.020 10.254 -3.647 310 2HG1 ILE 48 2HG1 ILE 48 -0.415 9.036 -2.523 311 1HG2 ILE 48 1HG2 ILE 48 -4.188 9.750 -3.917 312 2HG2 ILE 48 2HG2 ILE 48 -2.792 9.726 -4.994 313 3HG2 ILE 48 3HG2 ILE 48 -3.746 8.262 -4.754 314 1HD1 ILE 48 1HD1 ILE 48 -1.258 8.211 -5.286 315 2HD1 ILE 48 2HD1 ILE 48 0.327 8.948 -5.042 316 3HD1 ILE 48 3HD1 ILE 48 -0.089 7.451 -4.206 317 H ARG 49 H ARG 49 -3.864 7.366 -0.661 318 HA ARG 49 HA ARG 49 -6.525 7.137 -1.467 319 1HB ARG 49 1HB ARG 49 -5.479 5.476 -0.105 320 2HB ARG 49 2HB ARG 49 -5.097 6.641 1.156 321 1HG ARG 49 1HG ARG 49 -7.930 6.677 0.761 322 2HG ARG 49 2HG ARG 49 -7.421 4.996 0.915 323 1HD ARG 49 1HD ARG 49 -7.921 6.019 3.137 324 2HD ARG 49 2HD ARG 49 -6.216 5.547 3.008 325 HE ARG 49 HE ARG 49 -5.715 7.941 2.438 326 1HH1 ARG 49 1HH1 ARG 49 -8.954 8.072 2.346 327 2HH1 ARG 49 2HH1 ARG 49 -9.177 9.226 3.619 328 1HH2 ARG 49 1HH2 ARG 49 -5.902 9.022 4.738 329 2HH2 ARG 49 2HH2 ARG 49 -7.449 9.764 4.972 330 H ASP 50 H ASP 50 -5.152 9.360 0.930 331 HA ASP 50 HA ASP 50 -7.648 10.350 1.982 332 1HB ASP 50 1HB ASP 50 -5.400 10.589 3.030 333 2HB ASP 50 2HB ASP 50 -4.917 11.657 1.712 334 H GLN 51 H GLN 51 -5.538 11.334 -0.709 335 HA GLN 51 HA GLN 51 -7.216 13.627 -1.436 336 1HB GLN 51 2HB GLN 51 -5.016 12.169 -2.942 337 2HB GLN 51 1HB GLN 51 -5.596 13.804 -3.265 338 1HG GLN 51 1HG GLN 51 -4.771 14.600 -1.148 339 2HG GLN 51 2HG GLN 51 -4.406 12.959 -0.611 340 2HE2 GLN 51 2HE2 GLN 51 -3.740 14.145 -3.902 341 1HE2 GLN 51 1HE2 GLN 51 -2.049 14.070 -3.767 342 H LEU 52 H LEU 52 -6.803 10.264 -2.449 343 HA LEU 52 HA LEU 52 -8.386 10.389 -4.853 344 1HB LEU 52 1HB LEU 52 -6.975 8.483 -3.206 345 2HB LEU 52 2HB LEU 52 -8.548 7.821 -3.648 346 HG LEU 52 HG LEU 52 -6.829 7.265 -5.340 347 1HD1 LEU 52 1HD1 LEU 52 -9.368 8.172 -5.783 348 2HD1 LEU 52 2HD1 LEU 52 -8.438 9.261 -6.813 349 3HD1 LEU 52 3HD1 LEU 52 -8.322 7.516 -7.043 350 1HD2 LEU 52 1HD2 LEU 52 -5.976 9.893 -4.844 351 2HD2 LEU 52 2HD2 LEU 52 -5.336 8.796 -6.066 352 3HD2 LEU 52 3HD2 LEU 52 -6.620 9.931 -6.484 353 H HIS 53 H HIS 53 -9.164 9.748 -1.444 354 HA HIS 53 HA HIS 53 -11.959 9.091 -1.974 355 1HB HIS 53 1HB HIS 53 -10.196 9.608 0.413 356 2HB HIS 53 2HB HIS 53 -11.942 9.470 0.623 357 HD1 HIS 53 HD1 HIS 53 -11.575 7.196 1.913 358 HD2 HIS 53 HD2 HIS 53 -10.338 7.147 -2.069 359 HE1 HIS 53 HE1 HIS 53 -11.236 4.762 1.297 360 H GLN 54 H GLN 54 -10.266 11.905 -0.536 361 HA GLN 54 HA GLN 54 -12.539 13.546 -0.097 362 1HB GLN 54 1HB GLN 54 -10.278 13.969 0.770 363 2HB GLN 54 2HB GLN 54 -9.683 14.235 -0.869 364 1HG GLN 54 1HG GLN 54 -10.444 16.361 -0.899 365 2HG GLN 54 2HG GLN 54 -12.022 15.878 -0.275 366 2HE2 GLN 54 2HE2 GLN 54 -12.473 16.600 1.809 367 1HE2 GLN 54 1HE2 GLN 54 -11.307 17.059 2.955 368 H LEU 55 H LEU 55 -10.586 13.029 -3.018 369 HA LEU 55 HA LEU 55 -11.799 15.133 -4.586 370 1HB LEU 55 1HB LEU 55 -10.107 12.696 -5.020 371 2HB LEU 55 2HB LEU 55 -10.841 13.466 -6.428 372 HG LEU 55 HG LEU 55 -9.464 15.221 -4.439 373 1HD1 LEU 55 1HD1 LEU 55 -8.153 12.983 -5.517 374 2HD1 LEU 55 2HD1 LEU 55 -7.648 14.339 -6.524 375 3HD1 LEU 55 3HD1 LEU 55 -7.396 14.395 -4.779 376 1HD2 LEU 55 1HD2 LEU 55 -10.217 15.201 -7.320 377 2HD2 LEU 55 2HD2 LEU 55 -10.263 16.526 -6.156 378 3HD2 LEU 55 3HD2 LEU 55 -8.733 16.056 -6.899 379 H ARG 56 H ARG 56 -12.683 11.813 -3.845 380 HA ARG 56 HA ARG 56 -14.515 11.332 -5.991 381 1HB ARG 56 1HB ARG 56 -13.638 9.601 -4.501 382 2HB ARG 56 2HB ARG 56 -14.416 10.366 -3.114 383 1HG ARG 56 1HG ARG 56 -16.425 9.994 -5.089 384 2HG ARG 56 2HG ARG 56 -15.532 8.477 -4.966 385 1HD ARG 56 1HD ARG 56 -15.793 9.149 -2.319 386 2HD ARG 56 2HD ARG 56 -17.317 9.757 -2.994 387 HE ARG 56 HE ARG 56 -17.131 7.318 -4.196 388 1HH1 ARG 56 1HH1 ARG 56 -18.553 8.243 -1.472 389 2HH1 ARG 56 2HH1 ARG 56 -18.264 6.813 -0.541 390 1HH2 ARG 56 1HH2 ARG 56 -15.953 5.506 -2.771 391 2HH2 ARG 56 2HH2 ARG 56 -16.793 5.262 -1.276 392 H GLU 57 H GLU 57 -15.166 12.427 -2.633 393 HA GLU 57 HA GLU 57 -17.955 12.994 -3.116 394 1HB GLU 57 1HB GLU 57 -16.990 12.514 -0.908 395 2HB GLU 57 2HB GLU 57 -15.981 13.957 -1.019 396 1HG GLU 57 1HG GLU 57 -17.680 15.013 0.045 397 2HG GLU 57 2HG GLU 57 -18.503 14.962 -1.515 398 H LEU 58 H LEU 58 -14.983 14.873 -3.416 399 HA LEU 58 HA LEU 58 -16.215 17.478 -3.604 400 1HB LEU 58 1HB LEU 58 -13.584 16.217 -4.371 401 2HB LEU 58 2HB LEU 58 -13.922 17.900 -4.777 402 HG LEU 58 HG LEU 58 -14.061 16.708 -1.992 403 1HD1 LEU 58 1HD1 LEU 58 -11.754 16.978 -2.982 404 2HD1 LEU 58 2HD1 LEU 58 -12.087 18.703 -3.138 405 3HD1 LEU 58 3HD1 LEU 58 -12.040 17.954 -1.541 406 1HD2 LEU 58 1HD2 LEU 58 -15.091 19.155 -3.181 407 2HD2 LEU 58 2HD2 LEU 58 -15.346 18.515 -1.558 408 3HD2 LEU 58 3HD2 LEU 58 -13.931 19.510 -1.901 409 H PHE 59 H PHE 59 -15.896 14.824 -5.830 410 HA PHE 59 HA PHE 59 -15.863 16.059 -8.351 411 1HB PHE 59 1HB PHE 59 -15.774 13.638 -7.926 412 2HB PHE 59 2HB PHE 59 -17.444 13.663 -7.360 413 HD1 PHE 59 HD1 PHE 59 -15.231 13.946 -10.311 414 HD2 PHE 59 HD2 PHE 59 -19.317 13.927 -8.914 415 HE1 PHE 59 HE1 PHE 59 -16.032 13.676 -12.657 416 HE2 PHE 59 HE2 PHE 59 -20.117 13.657 -11.259 417 HZ PHE 59 HZ PHE 59 -18.475 13.531 -13.131 418 H ILE 60 H ILE 60 -18.493 15.859 -6.012 419 HA ILE 60 HA ILE 60 -20.585 16.706 -7.851 420 HB ILE 60 HB ILE 60 -20.366 16.722 -4.822 421 1HG1 ILE 60 2HG1 ILE 60 -20.016 14.490 -5.801 422 2HG1 ILE 60 1HG1 ILE 60 -21.581 14.567 -4.992 423 1HG2 ILE 60 1HG2 ILE 60 -22.589 17.264 -6.749 424 2HG2 ILE 60 2HG2 ILE 60 -22.971 16.405 -5.258 425 3HG2 ILE 60 3HG2 ILE 60 -22.253 18.013 -5.189 426 1HD1 ILE 60 1HD1 ILE 60 -22.355 15.351 -7.441 427 2HD1 ILE 60 2HD1 ILE 60 -20.958 14.379 -7.901 428 3HD1 ILE 60 3HD1 ILE 60 -22.277 13.650 -6.985 429 H ALA 61 H ALA 61 -18.516 18.335 -5.449 430 HA ALA 61 HA ALA 61 -19.724 20.907 -5.514 431 1HB ALA 61 1HB ALA 61 -17.522 19.620 -4.365 432 2HB ALA 61 3HB ALA 61 -18.010 21.290 -4.080 433 3HB ALA 61 2HB ALA 61 -16.811 20.921 -5.319 434 H ALA 62 H ALA 62 -17.639 19.286 -7.819 435 HA ALA 62 HA ALA 62 -17.207 21.810 -9.340 436 1HB ALA 62 1HB ALA 62 -16.068 19.025 -9.303 437 2HB ALA 62 3HB ALA 62 -15.819 20.051 -10.714 438 3HB ALA 62 2HB ALA 62 -15.227 20.566 -9.135 439 H SER 63 H SER 63 -17.957 18.446 -10.320 440 HA SER 63 HA SER 63 -19.411 17.647 -12.004 441 1HB SER 63 1HB SER 63 -20.953 18.571 -10.254 442 2HB SER 63 2HB SER 63 -20.955 20.107 -11.116 443 HG SER 63 HG SER 63 -22.641 19.105 -11.995 444 H LEU 8 H LEU 8 15.085 -34.749 13.205 445 HA LEU 8 HA LEU 8 15.643 -37.380 14.382 446 1HB LEU 8 1HB LEU 8 13.110 -36.686 12.923 447 2HB LEU 8 2HB LEU 8 13.778 -38.309 12.750 448 HG LEU 8 HG LEU 8 13.927 -38.295 15.340 449 1HD1 LEU 8 1HD1 LEU 8 12.220 -35.892 14.743 450 2HD1 LEU 8 2HD1 LEU 8 11.916 -36.844 16.197 451 3HD1 LEU 8 3HD1 LEU 8 13.487 -36.080 15.955 452 1HD2 LEU 8 1HD2 LEU 8 11.532 -38.609 13.586 453 2HD2 LEU 8 2HD2 LEU 8 12.361 -39.808 14.579 454 3HD2 LEU 8 3HD2 LEU 8 11.265 -38.647 15.329 455 H GLU 9 H GLU 9 17.671 -37.126 13.272 456 HA GLU 9 HA GLU 9 19.141 -37.280 11.425 457 1HB GLU 9 1HB GLU 9 17.273 -39.249 11.336 458 2HB GLU 9 2HB GLU 9 16.972 -38.473 9.782 459 1HG GLU 9 1HG GLU 9 18.667 -39.831 9.076 460 2HG GLU 9 2HG GLU 9 19.687 -38.563 9.757 461 HA PRO 10 HA PRO 10 16.944 -33.718 9.358 462 1HB PRO 10 1HB PRO 10 18.812 -31.811 9.957 463 2HB PRO 10 2HB PRO 10 17.454 -32.202 11.030 464 1HG PRO 10 2HG PRO 10 20.303 -33.041 11.199 465 2HG PRO 10 1HG PRO 10 19.176 -32.602 12.491 466 1HD PRO 10 1HD PRO 10 19.834 -35.179 11.863 467 2HD PRO 10 2HD PRO 10 18.295 -34.707 12.615 468 H ASP 11 H ASP 11 20.477 -34.267 9.538 469 HA ASP 11 HA ASP 11 22.099 -34.444 7.837 470 1HB ASP 11 1HB ASP 11 19.586 -35.568 6.883 471 2HB ASP 11 2HB ASP 11 20.543 -34.923 5.549 472 H ASN 12 H ASN 12 19.535 -33.269 5.694 473 HA ASN 12 HA ASN 12 20.656 -30.525 5.714 474 1HB ASN 12 1HB ASN 12 21.118 -30.675 3.270 475 2HB ASN 12 2HB ASN 12 22.099 -31.811 4.196 476 2HD2 ASN 12 2HD2 ASN 12 19.064 -31.634 2.276 477 1HD2 ASN 12 1HD2 ASN 12 19.090 -33.264 1.804 478 H VAL 13 H VAL 13 17.993 -32.164 6.037 479 HA VAL 13 HA VAL 13 16.336 -31.027 3.890 480 HB VAL 13 HB VAL 13 16.038 -32.917 6.200 481 1HG1 VAL 13 1HG1 VAL 13 13.892 -31.162 5.169 482 2HG1 VAL 13 2HG1 VAL 13 13.498 -32.881 5.163 483 3HG1 VAL 13 3HG1 VAL 13 13.960 -32.087 6.669 484 1HG2 VAL 13 1HG2 VAL 13 15.421 -32.941 3.241 485 2HG2 VAL 13 2HG2 VAL 13 16.670 -33.851 4.088 486 3HG2 VAL 13 3HG2 VAL 13 14.970 -34.254 4.329 487 HA PRO 14 HA PRO 14 14.528 -28.447 7.447 488 1HB PRO 14 1HB PRO 14 15.543 -28.708 9.972 489 2HB PRO 14 2HB PRO 14 14.220 -29.720 9.358 490 1HG PRO 14 2HG PRO 14 17.107 -30.357 9.655 491 2HG PRO 14 1HG PRO 14 15.690 -31.387 9.901 492 1HD PRO 14 1HD PRO 14 17.273 -31.473 7.672 493 2HD PRO 14 2HD PRO 14 15.570 -31.966 7.713 494 H MET 15 H MET 15 17.953 -29.125 8.218 495 HA MET 15 HA MET 15 19.807 -27.674 8.366 496 1HB MET 15 1HB MET 15 18.224 -27.116 6.061 497 2HB MET 15 2HB MET 15 18.798 -25.571 6.692 498 1HG MET 15 1HG MET 15 20.940 -26.003 6.101 499 2HG MET 15 2HG MET 15 20.862 -27.653 6.722 500 1HE MET 15 1HE MET 15 22.545 -27.669 4.940 501 2HE MET 15 2HE MET 15 22.188 -28.417 3.386 502 3HE MET 15 3HE MET 15 22.247 -26.661 3.517 503 H ASP 16 H ASP 16 19.967 -24.885 8.327 504 HA ASP 16 HA ASP 16 18.094 -24.011 10.499 505 1HB ASP 16 1HB ASP 16 21.111 -23.716 10.331 506 2HB ASP 16 2HB ASP 16 20.102 -23.006 11.591 507 H MET 17 H MET 17 17.868 -23.350 7.712 508 HA MET 17 HA MET 17 19.135 -20.922 6.939 509 1HB MET 17 1HB MET 17 17.201 -20.783 5.387 510 2HB MET 17 2HB MET 17 17.844 -22.424 5.466 511 1HG MET 17 1HG MET 17 16.061 -22.655 7.425 512 2HG MET 17 2HG MET 17 15.276 -21.341 6.552 513 1HE MET 17 1HE MET 17 14.581 -21.269 4.339 514 2HE MET 17 2HE MET 17 15.945 -21.914 3.430 515 3HE MET 17 3HE MET 17 14.340 -22.602 3.203 516 H SER 18 H SER 18 16.322 -21.532 8.997 517 HA SER 18 HA SER 18 16.444 -18.758 9.995 518 1HB SER 18 1HB SER 18 13.874 -19.799 8.794 519 2HB SER 18 2HB SER 18 14.283 -18.138 9.217 520 HG SER 18 HG SER 18 14.770 -18.079 7.155 521 HA PRO 19 HA PRO 19 14.754 -20.820 13.497 522 1HB PRO 19 1HB PRO 19 13.631 -18.737 14.858 523 2HB PRO 19 2HB PRO 19 15.382 -18.968 14.705 524 1HG PRO 19 1HG PRO 19 13.637 -17.009 13.406 525 2HG PRO 19 2HG PRO 19 15.376 -16.951 13.697 526 1HD PRO 19 1HD PRO 19 14.036 -17.573 11.262 527 2HD PRO 19 2HD PRO 19 15.784 -17.605 11.580 528 H LYS 20 H LYS 20 12.831 -20.252 11.061 529 HA LYS 20 HA LYS 20 10.608 -20.844 10.550 530 1HB LYS 20 1HB LYS 20 11.365 -22.660 12.221 531 2HB LYS 20 2HB LYS 20 10.418 -21.775 13.418 532 1HG LYS 20 1HG LYS 20 9.153 -22.445 10.783 533 2HG LYS 20 2HG LYS 20 9.297 -23.709 12.006 534 1HD LYS 20 1HD LYS 20 8.380 -21.517 13.448 535 2HD LYS 20 2HD LYS 20 7.498 -21.406 11.924 536 1HE LYS 20 1HE LYS 20 7.441 -24.140 12.578 537 2HE LYS 20 2HE LYS 20 7.121 -23.290 14.104 538 1HZ LYS 20 1HZ LYS 20 5.820 -22.597 11.526 539 2HZ LYS 20 2HZ LYS 20 5.113 -23.616 12.687 540 3HZ LYS 20 3HZ LYS 20 5.435 -21.996 13.067 541 H ALA 21 H ALA 21 10.358 -19.932 14.016 542 HA ALA 21 HA ALA 21 7.911 -18.630 13.985 543 1HB ALA 21 1HB ALA 21 10.501 -18.138 15.451 544 2HB ALA 21 3HB ALA 21 9.062 -17.185 15.814 545 3HB ALA 21 2HB ALA 21 9.041 -18.934 16.038 546 H LEU 22 H LEU 22 11.063 -17.133 13.201 547 HA LEU 22 HA LEU 22 9.837 -14.559 12.513 548 1HB LEU 22 1HB LEU 22 12.581 -15.819 12.368 549 2HB LEU 22 2HB LEU 22 12.276 -14.219 11.692 550 HG LEU 22 HG LEU 22 11.327 -13.551 13.939 551 1HD1 LEU 22 1HD1 LEU 22 12.212 -16.353 14.498 552 2HD1 LEU 22 2HD1 LEU 22 12.383 -15.153 15.778 553 3HD1 LEU 22 3HD1 LEU 22 10.795 -15.490 15.090 554 1HD2 LEU 22 1HD2 LEU 22 14.201 -14.371 13.540 555 2HD2 LEU 22 2HD2 LEU 22 13.504 -12.751 13.530 556 3HD2 LEU 22 3HD2 LEU 22 13.687 -13.624 15.053 557 H GLN 23 H GLN 23 11.434 -17.209 10.755 558 HA GLN 23 HA GLN 23 11.248 -16.244 8.118 559 1HB GLN 23 1HB GLN 23 12.354 -18.337 9.015 560 2HB GLN 23 2HB GLN 23 10.759 -19.089 9.047 561 1HG GLN 23 1HG GLN 23 10.513 -18.707 6.630 562 2HG GLN 23 2HG GLN 23 12.092 -17.921 6.586 563 2HE2 GLN 23 2HE2 GLN 23 11.158 -20.881 8.395 564 1HE2 GLN 23 1HE2 GLN 23 12.266 -21.897 7.607 565 H GLN 24 H GLN 24 8.854 -18.351 9.769 566 HA GLN 24 HA GLN 24 6.883 -18.245 7.703 567 1HB GLN 24 1HB GLN 24 7.050 -19.863 9.611 568 2HB GLN 24 2HB GLN 24 6.536 -18.575 10.701 569 1HG GLN 24 1HG GLN 24 4.489 -19.561 10.245 570 2HG GLN 24 2HG GLN 24 4.545 -18.353 8.962 571 2HE2 GLN 24 2HE2 GLN 24 3.617 -19.397 7.172 572 1HE2 GLN 24 1HE2 GLN 24 4.104 -20.916 6.590 573 H LYS 25 H LYS 25 7.221 -16.316 10.703 574 HA LYS 25 HA LYS 25 4.903 -14.707 10.409 575 1HB LYS 25 1HB LYS 25 7.614 -14.402 11.687 576 2HB LYS 25 2HB LYS 25 6.455 -13.075 11.749 577 1HG LYS 25 1HG LYS 25 4.809 -14.487 12.838 578 2HG LYS 25 2HG LYS 25 5.843 -15.904 12.646 579 1HD LYS 25 2HD LYS 25 6.347 -15.304 14.833 580 2HD LYS 25 1HD LYS 25 7.590 -14.410 13.957 581 1HE LYS 25 2HE LYS 25 6.661 -12.780 15.411 582 2HE LYS 25 1HE LYS 25 5.808 -12.489 13.882 583 1HZ LYS 25 1HZ LYS 25 4.086 -14.059 14.634 584 2HZ LYS 25 2HZ LYS 25 4.865 -14.176 16.139 585 3HZ LYS 25 3HZ LYS 25 4.200 -12.697 15.642 586 H ILE 26 H ILE 26 8.264 -13.980 9.379 587 HA ILE 26 HA ILE 26 7.799 -11.492 8.139 588 HB ILE 26 HB ILE 26 9.670 -13.774 7.424 589 1HG1 ILE 26 1HG1 ILE 26 10.325 -11.266 8.970 590 2HG1 ILE 26 2HG1 ILE 26 9.658 -12.682 9.783 591 1HG2 ILE 26 1HG2 ILE 26 9.715 -10.841 6.655 592 2HG2 ILE 26 2HG2 ILE 26 11.068 -11.948 6.423 593 3HG2 ILE 26 3HG2 ILE 26 9.553 -12.215 5.562 594 1HD1 ILE 26 1HD1 ILE 26 11.744 -13.564 8.037 595 2HD1 ILE 26 2HD1 ILE 26 12.364 -12.220 8.997 596 3HD1 ILE 26 3HD1 ILE 26 11.692 -13.641 9.798 597 H HIS 27 H HIS 27 7.940 -14.673 6.477 598 HA HIS 27 HA HIS 27 6.991 -13.750 3.955 599 1HB HIS 27 1HB HIS 27 7.035 -16.386 5.421 600 2HB HIS 27 2HB HIS 27 6.357 -16.268 3.797 601 HD1 HIS 27 HD1 HIS 27 8.042 -16.816 2.058 602 HD2 HIS 27 HD2 HIS 27 9.808 -14.969 5.351 603 HE1 HIS 27 HE1 HIS 27 10.516 -16.647 1.544 604 H GLU 28 H GLU 28 5.278 -14.634 6.899 605 HA GLU 28 HA GLU 28 2.655 -14.830 5.615 606 1HB GLU 28 1HB GLU 28 3.801 -14.856 8.395 607 2HB GLU 28 2HB GLU 28 2.058 -14.696 8.179 608 1HG GLU 28 1HG GLU 28 3.750 -16.907 6.975 609 2HG GLU 28 2HG GLU 28 2.765 -17.072 8.429 610 H LEU 29 H LEU 29 4.391 -12.393 7.561 611 HA LEU 29 HA LEU 29 2.184 -10.513 7.633 612 1HB LEU 29 1HB LEU 29 5.161 -10.420 8.151 613 2HB LEU 29 2HB LEU 29 4.147 -8.987 8.325 614 HG LEU 29 HG LEU 29 3.440 -11.586 9.685 615 1HD1 LEU 29 1HD1 LEU 29 5.788 -10.732 10.280 616 2HD1 LEU 29 2HD1 LEU 29 4.979 -9.328 10.979 617 3HD1 LEU 29 3HD1 LEU 29 4.664 -10.940 11.624 618 1HD2 LEU 29 1HD2 LEU 29 2.422 -8.841 9.578 619 2HD2 LEU 29 2HD2 LEU 29 1.622 -10.311 10.134 620 3HD2 LEU 29 3HD2 LEU 29 2.671 -9.410 11.228 621 H GLU 30 H GLU 30 5.012 -10.960 5.526 622 HA GLU 30 HA GLU 30 4.712 -8.508 4.039 623 1HB GLU 30 1HB GLU 30 6.618 -10.354 4.283 624 2HB GLU 30 2HB GLU 30 5.836 -11.018 2.848 625 1HG GLU 30 1HG GLU 30 6.275 -8.099 2.769 626 2HG GLU 30 2HG GLU 30 7.750 -9.065 2.780 627 H GLY 31 H GLY 31 3.653 -11.867 3.385 628 1HA GLY 31 2HA GLY 31 1.937 -12.668 1.999 629 2HA GLY 31 1HA GLY 31 2.436 -11.403 0.874 630 H LEU 32 H LEU 32 1.232 -10.835 4.149 631 HA LEU 32 HA LEU 32 -1.505 -10.284 3.427 632 1HB LEU 32 1HB LEU 32 -0.467 -10.813 5.702 633 2HB LEU 32 2HB LEU 32 0.096 -9.142 5.731 634 HG LEU 32 HG LEU 32 -2.250 -8.372 5.437 635 1HD1 LEU 32 1HD1 LEU 32 -2.622 -11.214 4.943 636 2HD1 LEU 32 2HD1 LEU 32 -3.720 -10.634 6.196 637 3HD1 LEU 32 3HD1 LEU 32 -3.715 -9.872 4.605 638 1HD2 LEU 32 1HD2 LEU 32 -1.023 -9.263 7.727 639 2HD2 LEU 32 2HD2 LEU 32 -2.568 -8.412 7.692 640 3HD2 LEU 32 3HD2 LEU 32 -2.533 -10.174 7.756 641 H MET 33 H MET 33 1.404 -8.264 3.703 642 HA MET 33 HA MET 33 0.107 -5.718 3.353 643 1HB MET 33 1HB MET 33 2.663 -6.782 3.828 644 2HB MET 33 2HB MET 33 2.814 -5.918 2.299 645 1HG MET 33 1HG MET 33 1.904 -3.887 3.317 646 2HG MET 33 2HG MET 33 1.621 -4.744 4.829 647 1HE MET 33 1HE MET 33 3.904 -4.354 2.082 648 2HE MET 33 2HE MET 33 5.171 -3.291 2.683 649 3HE MET 33 3HE MET 33 5.408 -5.037 2.719 650 H MET 34 H MET 34 1.049 -8.248 1.128 651 HA MET 34 HA MET 34 1.032 -6.556 -1.259 652 1HB MET 34 1HB MET 34 2.283 -8.774 -0.747 653 2HB MET 34 2HB MET 34 0.752 -9.559 -1.138 654 1HG MET 34 2HG MET 34 1.547 -9.503 -3.273 655 2HG MET 34 1HG MET 34 0.991 -7.831 -3.236 656 1HE MET 34 1HE MET 34 2.004 -6.102 -3.609 657 2HE MET 34 2HE MET 34 3.059 -5.720 -2.251 658 3HE MET 34 3HE MET 34 3.711 -5.774 -3.895 659 H GLN 35 H GLN 35 -1.089 -9.252 -0.181 660 HA GLN 35 HA GLN 35 -3.121 -9.017 -2.086 661 1HB GLN 35 1HB GLN 35 -4.545 -10.010 -0.285 662 2HB GLN 35 2HB GLN 35 -2.963 -10.781 -0.395 663 1HG GLN 35 1HG GLN 35 -2.142 -9.369 1.455 664 2HG GLN 35 2HG GLN 35 -3.726 -8.602 1.570 665 2HE2 GLN 35 2HE2 GLN 35 -2.095 -11.782 1.893 666 1HE2 GLN 35 1HE2 GLN 35 -3.255 -12.444 2.940 667 H HIS 36 H HIS 36 -2.573 -7.023 0.789 668 HA HIS 36 HA HIS 36 -5.102 -5.569 0.526 669 1HB HIS 36 1HB HIS 36 -2.565 -5.282 2.153 670 2HB HIS 36 2HB HIS 36 -3.906 -4.144 2.295 671 HD1 HIS 36 HD1 HIS 36 -6.283 -6.090 2.105 672 HD2 HIS 36 HD2 HIS 36 -2.918 -6.803 4.459 673 HE1 HIS 36 HE1 HIS 36 -6.999 -7.725 3.900 674 H ALA 37 H ALA 37 -1.659 -4.594 0.196 675 HA ALA 37 HA ALA 37 -1.980 -2.025 -0.855 676 1HB ALA 37 1HB ALA 37 0.214 -2.690 -0.402 677 2HB ALA 37 3HB ALA 37 0.002 -4.258 -1.182 678 3HB ALA 37 2HB ALA 37 0.198 -2.806 -2.162 679 H GLN 38 H GLN 38 -2.531 -5.118 -2.425 680 HA GLN 38 HA GLN 38 -2.660 -4.041 -5.142 681 1HB GLN 38 1HB GLN 38 -2.935 -6.600 -3.699 682 2HB GLN 38 2HB GLN 38 -3.975 -6.464 -5.119 683 1HG GLN 38 1HG GLN 38 -1.879 -5.646 -6.366 684 2HG GLN 38 2HG GLN 38 -0.966 -6.251 -4.983 685 2HE2 GLN 38 2HE2 GLN 38 -1.768 -7.195 -8.002 686 1HE2 GLN 38 1HE2 GLN 38 -1.936 -8.869 -7.772 687 H ASN 39 H ASN 39 -4.978 -4.929 -2.595 688 HA ASN 39 HA ASN 39 -7.254 -4.007 -4.271 689 1HB ASN 39 1HB ASN 39 -6.948 -5.400 -1.596 690 2HB ASN 39 2HB ASN 39 -8.516 -4.902 -2.235 691 2HD2 ASN 39 2HD2 ASN 39 -7.662 -7.690 -1.799 692 1HD2 ASN 39 1HD2 ASN 39 -7.676 -8.446 -3.319 693 H LEU 40 H LEU 40 -5.167 -2.166 -3.131 694 HA LEU 40 HA LEU 40 -5.077 -0.077 -2.053 695 1HB LEU 40 1HB LEU 40 -7.987 -0.472 -2.760 696 2HB LEU 40 2HB LEU 40 -7.430 1.014 -1.991 697 HG LEU 40 HG LEU 40 -5.570 0.752 -3.960 698 1HD1 LEU 40 1HD1 LEU 40 -8.032 -0.728 -4.776 699 2HD1 LEU 40 2HD1 LEU 40 -7.269 0.309 -5.981 700 3HD1 LEU 40 3HD1 LEU 40 -6.353 -1.002 -5.239 701 1HD2 LEU 40 1HD2 LEU 40 -6.943 2.752 -3.407 702 2HD2 LEU 40 2HD2 LEU 40 -6.851 2.479 -5.146 703 3HD2 LEU 40 3HD2 LEU 40 -8.308 2.030 -4.259 704 H GLU 41 H GLU 41 -5.494 -2.590 -0.418 705 HA GLU 41 HA GLU 41 -6.971 -1.477 1.926 706 1HB GLU 41 1HB GLU 41 -6.893 -3.960 0.685 707 2HB GLU 41 2HB GLU 41 -5.858 -4.187 2.094 708 1HG GLU 41 2HG GLU 41 -7.858 -4.600 3.130 709 2HG GLU 41 1HG GLU 41 -7.893 -2.839 3.252 710 H PHE 42 H PHE 42 -4.021 -0.998 0.844 711 HA PHE 42 HA PHE 42 -2.162 -1.989 2.716 712 1HB PHE 42 1HB PHE 42 -0.851 0.048 1.980 713 2HB PHE 42 2HB PHE 42 -1.466 -0.954 0.668 714 HD1 PHE 42 HD1 PHE 42 -2.542 1.975 2.792 715 HD2 PHE 42 HD2 PHE 42 -2.588 0.100 -1.098 716 HE1 PHE 42 HE1 PHE 42 -3.750 3.939 1.852 717 HE2 PHE 42 HE2 PHE 42 -3.780 2.049 -2.027 718 HZ PHE 42 HZ PHE 42 -4.363 3.980 -0.559 719 H GLU 43 H GLU 43 -4.696 0.313 3.248 720 HA GLU 43 HA GLU 43 -3.603 2.086 5.125 721 1HB GLU 43 1HB GLU 43 -5.969 1.837 6.214 722 2HB GLU 43 2HB GLU 43 -5.859 2.430 4.564 723 1HG GLU 43 1HG GLU 43 -6.006 -0.423 4.432 724 2HG GLU 43 2HG GLU 43 -7.260 0.129 5.537 725 H GLU 44 H GLU 44 -5.201 -1.005 6.036 726 HA GLU 44 HA GLU 44 -3.819 -1.011 8.631 727 1HB GLU 44 1HB GLU 44 -5.143 -3.104 8.905 728 2HB GLU 44 2HB GLU 44 -6.153 -1.760 8.372 729 1HG GLU 44 1HG GLU 44 -6.387 -2.609 6.218 730 2HG GLU 44 2HG GLU 44 -4.886 -3.532 6.308 731 H ALA 45 H ALA 45 -3.333 -2.273 5.433 732 HA ALA 45 HA ALA 45 -1.637 -4.526 6.170 733 1HB ALA 45 1HB ALA 45 -2.904 -3.340 3.861 734 2HB ALA 45 3HB ALA 45 -1.214 -3.691 3.494 735 3HB ALA 45 2HB ALA 45 -2.278 -4.979 4.056 736 H ALA 46 H ALA 46 -0.903 -1.466 4.439 737 HA ALA 46 HA ALA 46 1.837 -1.551 4.235 738 1HB ALA 46 1HB ALA 46 1.673 0.975 4.601 739 2HB ALA 46 3HB ALA 46 0.580 0.300 3.393 740 3HB ALA 46 2HB ALA 46 -0.021 0.708 5.001 741 H GLN 47 H GLN 47 0.020 -1.102 7.226 742 HA GLN 47 HA GLN 47 2.111 -0.100 8.885 743 1HB GLN 47 1HB GLN 47 -0.174 -1.992 9.525 744 2HB GLN 47 2HB GLN 47 0.700 -1.001 10.693 745 1HG GLN 47 1HG GLN 47 -0.338 0.523 8.401 746 2HG GLN 47 2HG GLN 47 -1.598 -0.226 9.384 747 2HE2 GLN 47 2HE2 GLN 47 -0.855 2.686 9.218 748 1HE2 GLN 47 1HE2 GLN 47 -0.470 3.144 10.805 749 H ILE 48 H ILE 48 1.372 -3.360 7.732 750 HA ILE 48 HA ILE 48 2.922 -4.932 9.492 751 HB ILE 48 HB ILE 48 2.487 -5.132 6.494 752 1HG1 ILE 48 1HG1 ILE 48 1.036 -6.482 8.791 753 2HG1 ILE 48 2HG1 ILE 48 0.440 -5.046 7.958 754 1HG2 ILE 48 1HG2 ILE 48 4.188 -6.654 8.162 755 2HG2 ILE 48 2HG2 ILE 48 2.767 -7.655 7.861 756 3HG2 ILE 48 3HG2 ILE 48 3.704 -7.023 6.506 757 1HD1 ILE 48 1HD1 ILE 48 1.203 -7.473 6.360 758 2HD1 ILE 48 2HD1 ILE 48 -0.363 -7.420 7.170 759 3HD1 ILE 48 3HD1 ILE 48 0.049 -6.199 5.966 760 H ARG 49 H ARG 49 3.905 -2.847 6.816 761 HA ARG 49 HA ARG 49 6.542 -3.604 6.309 762 1HB ARG 49 1HB ARG 49 5.503 -1.804 5.129 763 2HB ARG 49 2HB ARG 49 5.169 -0.922 6.614 764 1HG ARG 49 1HG ARG 49 7.992 -1.363 6.474 765 2HG ARG 49 2HG ARG 49 7.462 -0.725 4.919 766 1HD ARG 49 1HD ARG 49 8.030 1.103 6.523 767 2HD ARG 49 2HD ARG 49 6.315 1.145 6.070 768 HE ARG 49 HE ARG 49 5.838 -0.076 8.213 769 1HH1 ARG 49 1HH1 ARG 49 9.076 -0.261 8.241 770 2HH1 ARG 49 2HH1 ARG 49 9.347 0.623 9.706 771 1HH2 ARG 49 1HH2 ARG 49 6.096 1.814 9.900 772 2HH2 ARG 49 2HH2 ARG 49 7.660 1.798 10.645 773 H ASP 50 H ASP 50 5.261 -1.917 9.153 774 HA ASP 50 HA ASP 50 7.797 -1.239 10.348 775 1HB ASP 50 1HB ASP 50 5.579 -0.262 10.925 776 2HB ASP 50 2HB ASP 50 5.081 -1.821 11.582 777 H GLN 51 H GLN 51 5.640 -4.060 10.567 778 HA GLN 51 HA GLN 51 7.335 -5.442 12.519 779 1HB GLN 51 2HB GLN 51 5.078 -6.428 10.740 780 2HB GLN 51 1HB GLN 51 5.675 -7.216 12.201 781 1HG GLN 51 1HG GLN 51 4.912 -5.401 13.587 782 2HG GLN 51 2HG GLN 51 4.536 -4.411 12.176 783 2HE2 GLN 51 2HE2 GLN 51 3.810 -7.891 12.387 784 1HE2 GLN 51 1HE2 GLN 51 2.123 -7.709 12.389 785 H LEU 52 H LEU 52 6.845 -5.444 9.016 786 HA LEU 52 HA LEU 52 8.373 -7.811 8.415 787 1HB LEU 52 1HB LEU 52 6.972 -5.662 7.092 788 2HB LEU 52 2HB LEU 52 8.524 -5.924 6.297 789 HG LEU 52 HG LEU 52 6.756 -7.354 5.317 790 1HD1 LEU 52 1HD1 LEU 52 9.298 -8.086 6.005 791 2HD1 LEU 52 2HD1 LEU 52 8.360 -9.366 6.774 792 3HD1 LEU 52 3HD1 LEU 52 8.212 -9.085 5.039 793 1HD2 LEU 52 1HD2 LEU 52 5.956 -7.614 7.995 794 2HD2 LEU 52 2HD2 LEU 52 5.271 -8.462 6.608 795 3HD2 LEU 52 3HD2 LEU 52 6.562 -9.210 7.549 796 H HIS 53 H HIS 53 9.221 -4.377 8.760 797 HA HIS 53 HA HIS 53 11.994 -4.747 7.917 798 1HB HIS 53 1HB HIS 53 10.295 -2.577 9.133 799 2HB HIS 53 2HB HIS 53 12.043 -2.367 9.025 800 HD1 HIS 53 HD1 HIS 53 11.670 -0.473 7.222 801 HD2 HIS 53 HD2 HIS 53 10.345 -4.252 6.064 802 HE1 HIS 53 HE1 HIS 53 11.279 -0.360 4.722 803 H GLN 54 H GLN 54 10.378 -4.144 11.061 804 HA GLN 54 HA GLN 54 12.685 -4.234 12.710 805 1HB GLN 54 1HB GLN 54 10.453 -3.482 13.414 806 2HB GLN 54 2HB GLN 54 9.824 -5.118 13.212 807 1HG GLN 54 1HG GLN 54 10.615 -5.771 15.223 808 2HG GLN 54 2HG GLN 54 12.200 -5.064 14.905 809 2HE2 GLN 54 2HE2 GLN 54 12.712 -3.282 16.182 810 1HE2 GLN 54 1HE2 GLN 54 11.582 -2.294 16.975 811 H LEU 55 H LEU 55 10.657 -6.849 11.422 812 HA LEU 55 HA LEU 55 11.864 -8.975 12.963 813 1HB LEU 55 1HB LEU 55 10.125 -8.663 10.542 814 2HB LEU 55 2HB LEU 55 10.837 -10.245 10.860 815 HG LEU 55 HG LEU 55 9.536 -8.817 13.141 816 1HD1 LEU 55 1HD1 LEU 55 8.165 -9.184 10.717 817 2HD1 LEU 55 2HD1 LEU 55 7.657 -10.528 11.740 818 3HD1 LEU 55 3HD1 LEU 55 7.447 -8.868 12.297 819 1HD2 LEU 55 1HD2 LEU 55 10.221 -11.586 12.282 820 2HD2 LEU 55 2HD2 LEU 55 10.312 -10.850 13.883 821 3HD2 LEU 55 3HD2 LEU 55 8.759 -11.399 13.252 822 H ARG 56 H ARG 56 12.714 -7.331 9.975 823 HA ARG 56 HA ARG 56 14.487 -9.283 8.863 824 1HB ARG 56 1HB ARG 56 13.619 -7.343 7.649 825 2HB ARG 56 2HB ARG 56 14.442 -6.249 8.761 826 1HG ARG 56 1HG ARG 56 16.397 -8.072 7.796 827 2HG ARG 56 2HG ARG 56 15.484 -7.503 6.397 828 1HD ARG 56 1HD ARG 56 15.818 -5.163 7.792 829 2HD ARG 56 2HD ARG 56 17.334 -6.013 8.149 830 HE ARG 56 HE ARG 56 17.084 -6.463 5.473 831 1HH1 ARG 56 1HH1 ARG 56 18.582 -4.143 7.109 832 2HH1 ARG 56 2HH1 ARG 56 18.295 -2.837 6.009 833 1HH2 ARG 56 1HH2 ARG 56 15.913 -4.559 4.168 834 2HH2 ARG 56 2HH2 ARG 56 16.784 -3.072 4.344 835 H GLU 57 H GLU 57 15.234 -6.392 10.856 836 HA GLU 57 HA GLU 57 18.019 -7.068 11.202 837 1HB GLU 57 1HB GLU 57 17.100 -4.798 11.395 838 2HB GLU 57 2HB GLU 57 16.111 -5.298 12.766 839 1HG GLU 57 2HG GLU 57 17.851 -4.612 14.045 840 2HG GLU 57 1HG GLU 57 18.635 -6.107 13.532 841 H LEU 58 H LEU 58 15.070 -7.838 12.981 842 HA LEU 58 HA LEU 58 16.338 -8.786 15.395 843 1HB LEU 58 1HB LEU 58 13.671 -9.112 14.025 844 2HB LEU 58 2HB LEU 58 14.025 -9.989 15.515 845 HG LEU 58 HG LEU 58 14.212 -6.982 15.167 846 1HD1 LEU 58 1HD1 LEU 58 11.886 -7.966 15.191 847 2HD1 LEU 58 2HD1 LEU 58 12.243 -8.613 16.792 848 3HD1 LEU 58 3HD1 LEU 58 12.221 -6.869 16.531 849 1HD2 LEU 58 1HD2 LEU 58 15.251 -8.841 17.148 850 2HD2 LEU 58 2HD2 LEU 58 15.535 -7.107 16.993 851 3HD2 LEU 58 3HD2 LEU 58 14.128 -7.694 17.879 852 H PHE 59 H PHE 59 15.925 -10.153 12.223 853 HA PHE 59 HA PHE 59 15.851 -12.921 12.688 854 1HB PHE 59 1HB PHE 59 15.735 -11.820 10.493 855 2HB PHE 59 2HB PHE 59 17.418 -11.315 10.641 856 HD1 PHE 59 HD1 PHE 59 15.141 -14.184 10.117 857 HD2 PHE 59 HD2 PHE 59 19.257 -12.915 10.409 858 HE1 PHE 59 HE1 PHE 59 15.881 -16.368 9.171 859 HE2 PHE 59 HE2 PHE 59 19.998 -15.099 9.464 860 HZ PHE 59 HZ PHE 59 18.310 -16.826 8.844 861 H ILE 60 H ILE 60 18.531 -10.670 13.109 862 HA ILE 60 HA ILE 60 20.593 -12.713 13.349 863 HB ILE 60 HB ILE 60 20.446 -9.812 14.235 864 1HG1 ILE 60 2HG1 ILE 60 20.039 -10.106 11.823 865 2HG1 ILE 60 1HG1 ILE 60 21.624 -9.382 12.093 866 1HG2 ILE 60 1HG2 ILE 60 22.632 -11.854 14.153 867 2HG2 ILE 60 2HG2 ILE 60 23.036 -10.185 13.750 868 3HG2 ILE 60 3HG2 ILE 60 22.343 -10.569 15.326 869 1HD1 ILE 60 1HD1 ILE 60 22.352 -11.966 12.129 870 2HD1 ILE 60 2HD1 ILE 60 20.928 -12.103 11.097 871 3HD1 ILE 60 3HD1 ILE 60 22.257 -11.041 10.631 872 H ALA 61 H ALA 61 18.606 -10.841 15.641 873 HA ALA 61 HA ALA 61 19.853 -11.661 18.059 874 1HB ALA 61 1HB ALA 61 17.662 -10.151 17.203 875 2HB ALA 61 3HB ALA 61 18.179 -10.368 18.875 876 3HB ALA 61 2HB ALA 61 16.946 -11.426 18.190 877 H ALA 62 H ALA 62 17.690 -13.368 15.893 878 HA ALA 62 HA ALA 62 17.261 -15.540 17.886 879 1HB ALA 62 1HB ALA 62 16.081 -14.686 15.252 880 2HB ALA 62 3HB ALA 62 15.813 -16.328 15.839 881 3HB ALA 62 2HB ALA 62 15.268 -14.950 16.795 882 H SER 63 H SER 63 17.935 -15.529 14.367 883 HA SER 63 HA SER 63 19.337 -16.941 13.088 884 1HB SER 63 1HB SER 63 20.933 -15.557 14.441 885 2HB SER 63 2HB SER 63 20.939 -16.823 15.665 886 HG SER 63 HG SER 63 22.587 -17.409 14.417 No H/Q in entry = 886 Start of MODEL 3 1 H LEU 8 H LEU 8 -19.898 6.189 -27.656 2 HA LEU 8 HA LEU 8 -19.975 8.929 -28.649 3 1HB LEU 8 1HB LEU 8 -20.878 6.447 -29.437 4 2HB LEU 8 2HB LEU 8 -22.368 7.227 -28.907 5 HG LEU 8 HG LEU 8 -20.534 8.861 -30.586 6 1HD1 LEU 8 1HD1 LEU 8 -21.547 6.253 -31.410 7 2HD1 LEU 8 2HD1 LEU 8 -22.160 7.547 -32.438 8 3HD1 LEU 8 3HD1 LEU 8 -20.422 7.328 -32.240 9 1HD2 LEU 8 1HD2 LEU 8 -23.526 8.426 -30.361 10 2HD2 LEU 8 2HD2 LEU 8 -22.607 9.838 -29.838 11 3HD2 LEU 8 3HD2 LEU 8 -22.791 9.493 -31.559 12 H GLU 9 H GLU 9 -20.422 10.419 -26.998 13 HA GLU 9 HA GLU 9 -21.693 11.547 -25.354 14 1HB GLU 9 1HB GLU 9 -23.263 10.784 -27.504 15 2HB GLU 9 2HB GLU 9 -24.182 10.185 -26.122 16 1HG GLU 9 1HG GLU 9 -23.528 12.621 -25.175 17 2HG GLU 9 2HG GLU 9 -23.542 12.984 -26.902 18 HA PRO 10 HA PRO 10 -21.784 7.842 -22.627 19 1HB PRO 10 1HB PRO 10 -20.414 9.006 -20.564 20 2HB PRO 10 2HB PRO 10 -19.609 8.224 -21.939 21 1HG PRO 10 2HG PRO 10 -20.062 11.113 -21.406 22 2HG PRO 10 1HG PRO 10 -18.666 10.302 -22.132 23 1HD PRO 10 1HD PRO 10 -20.572 11.635 -23.572 24 2HD PRO 10 2HD PRO 10 -19.586 10.307 -24.222 25 H ASP 11 H ASP 11 -22.006 11.200 -21.378 26 HA ASP 11 HA ASP 11 -23.649 12.239 -20.044 27 1HB ASP 11 1HB ASP 11 -24.935 10.374 -21.852 28 2HB ASP 11 2HB ASP 11 -25.841 10.483 -20.342 29 H ASN 12 H ASN 12 -24.889 8.941 -19.638 30 HA ASN 12 HA ASN 12 -23.763 8.841 -16.878 31 1HB ASN 12 1HB ASN 12 -26.068 8.316 -16.050 32 2HB ASN 12 2HB ASN 12 -25.946 9.940 -16.729 33 2HD2 ASN 12 2HD2 ASN 12 -27.408 6.778 -17.156 34 1HD2 ASN 12 1HD2 ASN 12 -28.348 7.183 -18.510 35 H VAL 13 H VAL 13 -23.383 7.326 -19.475 36 HA VAL 13 HA VAL 13 -24.578 4.690 -18.943 37 HB VAL 13 HB VAL 13 -23.015 6.070 -21.086 38 1HG1 VAL 13 1HG1 VAL 13 -22.893 3.110 -20.554 39 2HG1 VAL 13 2HG1 VAL 13 -22.912 3.700 -22.216 40 3HG1 VAL 13 3HG1 VAL 13 -21.618 4.190 -21.121 41 1HG2 VAL 13 1HG2 VAL 13 -25.519 4.436 -20.811 42 2HG2 VAL 13 2HG2 VAL 13 -25.319 6.064 -21.457 43 3HG2 VAL 13 3HG2 VAL 13 -24.789 4.671 -22.399 44 HA PRO 14 HA PRO 14 -20.060 3.670 -17.949 45 1HB PRO 14 1HB PRO 14 -18.198 5.672 -17.870 46 2HB PRO 14 2HB PRO 14 -18.605 4.785 -19.350 47 1HG PRO 14 1HG PRO 14 -19.316 7.524 -18.553 48 2HG PRO 14 2HG PRO 14 -19.172 6.813 -20.162 49 1HD PRO 14 1HD PRO 14 -21.560 7.334 -18.750 50 2HD PRO 14 2HD PRO 14 -21.380 6.430 -20.262 51 H MET 15 H MET 15 -19.697 7.015 -16.759 52 HA MET 15 HA MET 15 -20.880 6.564 -14.181 53 1HB MET 15 1HB MET 15 -18.357 5.353 -14.659 54 2HB MET 15 2HB MET 15 -18.063 6.716 -13.579 55 1HG MET 15 1HG MET 15 -19.280 5.798 -11.866 56 2HG MET 15 2HG MET 15 -20.427 5.024 -12.958 57 1HE MET 15 1HE MET 15 -19.584 3.787 -10.490 58 2HE MET 15 2HE MET 15 -20.380 2.641 -11.567 59 3HE MET 15 3HE MET 15 -18.876 2.190 -10.767 60 H ASP 16 H ASP 16 -21.383 8.630 -13.582 61 HA ASP 16 HA ASP 16 -19.727 10.882 -14.602 62 1HB ASP 16 1HB ASP 16 -22.193 10.804 -14.932 63 2HB ASP 16 2HB ASP 16 -22.409 10.788 -13.181 64 H MET 17 H MET 17 -18.750 9.185 -12.380 65 HA MET 17 HA MET 17 -19.163 10.338 -9.813 66 1HB MET 17 1HB MET 17 -16.987 9.237 -9.325 67 2HB MET 17 2HB MET 17 -18.046 8.190 -10.270 68 1HG MET 17 1HG MET 17 -16.812 9.383 -12.308 69 2HG MET 17 2HG MET 17 -15.547 9.605 -11.099 70 1HE MET 17 1HE MET 17 -15.832 7.300 -9.196 71 2HE MET 17 2HE MET 17 -14.779 6.056 -9.867 72 3HE MET 17 3HE MET 17 -14.277 7.752 -9.890 73 H SER 18 H SER 18 -17.064 11.311 -12.491 74 HA SER 18 HA SER 18 -16.477 13.843 -11.022 75 1HB SER 18 1HB SER 18 -14.089 13.526 -11.924 76 2HB SER 18 2HB SER 18 -14.570 12.480 -10.592 77 HG SER 18 HG SER 18 -14.237 10.864 -11.877 78 HA PRO 19 HA PRO 19 -17.500 15.398 -15.043 79 1HB PRO 19 1HB PRO 19 -16.714 17.993 -14.693 80 2HB PRO 19 2HB PRO 19 -18.198 17.326 -13.985 81 1HG PRO 19 2HG PRO 19 -15.573 17.863 -12.715 82 2HG PRO 19 1HG PRO 19 -17.202 18.020 -12.046 83 1HD PRO 19 1HD PRO 19 -15.503 15.924 -11.520 84 2HD PRO 19 2HD PRO 19 -17.271 15.845 -11.379 85 H LYS 20 H LYS 20 -15.354 13.927 -15.447 86 HA LYS 20 HA LYS 20 -13.423 13.687 -16.772 87 1HB LYS 20 1HB LYS 20 -13.705 16.561 -17.615 88 2HB LYS 20 2HB LYS 20 -13.246 15.164 -18.576 89 1HG LYS 20 2HG LYS 20 -15.371 15.159 -19.332 90 2HG LYS 20 1HG LYS 20 -15.829 14.548 -17.742 91 1HD LYS 20 1HD LYS 20 -16.874 16.475 -17.241 92 2HD LYS 20 2HD LYS 20 -15.426 17.407 -17.625 93 1HE LYS 20 1HE LYS 20 -16.071 17.738 -19.859 94 2HE LYS 20 2HE LYS 20 -17.153 16.330 -19.855 95 1HZ LYS 20 1HZ LYS 20 -18.478 17.498 -18.126 96 2HZ LYS 20 2HZ LYS 20 -17.530 18.884 -18.387 97 3HZ LYS 20 3HZ LYS 20 -18.499 18.272 -19.638 98 H ALA 21 H ALA 21 -13.212 17.157 -15.885 99 HA ALA 21 HA ALA 21 -10.478 17.390 -15.493 100 1HB ALA 21 1HB ALA 21 -12.188 19.182 -15.328 101 2HB ALA 21 3HB ALA 21 -12.692 18.539 -13.764 102 3HB ALA 21 2HB ALA 21 -11.078 19.222 -13.959 103 H LEU 22 H LEU 22 -12.821 16.335 -13.005 104 HA LEU 22 HA LEU 22 -10.696 15.692 -11.086 105 1HB LEU 22 1HB LEU 22 -13.697 15.294 -11.234 106 2HB LEU 22 2HB LEU 22 -12.740 14.751 -9.858 107 HG LEU 22 HG LEU 22 -11.851 17.143 -9.709 108 1HD1 LEU 22 1HD1 LEU 22 -13.929 17.382 -11.848 109 2HD1 LEU 22 2HD1 LEU 22 -13.737 18.720 -10.715 110 3HD1 LEU 22 3HD1 LEU 22 -12.374 18.201 -11.707 111 1HD2 LEU 22 1HD2 LEU 22 -13.856 15.987 -8.418 112 2HD2 LEU 22 2HD2 LEU 22 -13.567 17.718 -8.243 113 3HD2 LEU 22 3HD2 LEU 22 -14.829 17.140 -9.332 114 H GLN 23 H GLN 23 -12.684 14.049 -13.471 115 HA GLN 23 HA GLN 23 -12.337 11.341 -12.698 116 1HB GLN 23 1HB GLN 23 -13.736 12.469 -14.561 117 2HB GLN 23 2HB GLN 23 -12.276 12.353 -15.545 118 1HG GLN 23 1HG GLN 23 -12.219 9.879 -14.976 119 2HG GLN 23 2HG GLN 23 -13.828 10.082 -14.280 120 2HE2 GLN 23 2HE2 GLN 23 -15.619 10.432 -15.738 121 1HE2 GLN 23 1HE2 GLN 23 -15.457 10.281 -17.420 122 H GLN 24 H GLN 24 -10.271 13.367 -14.809 123 HA GLN 24 HA GLN 24 -8.280 11.287 -15.208 124 1HB GLN 24 1HB GLN 24 -8.959 13.509 -16.512 125 2HB GLN 24 2HB GLN 24 -7.711 14.217 -15.485 126 1HG GLN 24 1HG GLN 24 -6.693 11.751 -16.486 127 2HG GLN 24 2HG GLN 24 -7.374 12.636 -17.851 128 2HE2 GLN 24 2HE2 GLN 24 -4.504 12.239 -16.288 129 1HE2 GLN 24 1HE2 GLN 24 -3.818 13.772 -16.531 130 H LYS 25 H LYS 25 -8.579 14.100 -13.043 131 HA LYS 25 HA LYS 25 -5.958 13.953 -11.891 132 1HB LYS 25 1HB LYS 25 -8.536 15.282 -11.474 133 2HB LYS 25 2HB LYS 25 -7.683 14.974 -9.961 134 1HG LYS 25 1HG LYS 25 -6.693 16.978 -10.520 135 2HG LYS 25 2HG LYS 25 -5.613 15.889 -11.392 136 1HD LYS 25 1HD LYS 25 -7.565 16.205 -13.250 137 2HD LYS 25 2HD LYS 25 -7.651 17.771 -12.441 138 1HE LYS 25 1HE LYS 25 -4.883 17.142 -12.801 139 2HE LYS 25 2HE LYS 25 -5.709 16.904 -14.353 140 1HZ LYS 25 1HZ LYS 25 -6.056 19.278 -12.599 141 2HZ LYS 25 2HZ LYS 25 -5.068 19.239 -13.980 142 3HZ LYS 25 3HZ LYS 25 -6.750 19.046 -14.130 143 H ILE 26 H ILE 26 -9.097 12.646 -10.758 144 HA ILE 26 HA ILE 26 -8.087 11.355 -8.413 145 HB ILE 26 HB ILE 26 -10.437 10.721 -10.230 146 1HG1 ILE 26 1HG1 ILE 26 -10.435 12.292 -7.646 147 2HG1 ILE 26 2HG1 ILE 26 -10.205 13.071 -9.212 148 1HG2 ILE 26 1HG2 ILE 26 -9.471 9.130 -8.229 149 2HG2 ILE 26 2HG2 ILE 26 -10.581 10.165 -7.330 150 3HG2 ILE 26 3HG2 ILE 26 -11.171 9.210 -8.691 151 1HD1 ILE 26 1HD1 ILE 26 -12.557 11.269 -8.587 152 2HD1 ILE 26 2HD1 ILE 26 -12.604 13.022 -8.397 153 3HD1 ILE 26 3HD1 ILE 26 -12.351 12.315 -9.992 154 H HIS 27 H HIS 27 -8.656 10.107 -11.720 155 HA HIS 27 HA HIS 27 -7.759 7.426 -11.178 156 1HB HIS 27 1HB HIS 27 -9.172 8.343 -13.099 157 2HB HIS 27 2HB HIS 27 -7.668 8.942 -13.800 158 HD1 HIS 27 HD1 HIS 27 -5.726 6.948 -13.994 159 HD2 HIS 27 HD2 HIS 27 -9.716 5.749 -13.865 160 HE1 HIS 27 HE1 HIS 27 -5.793 4.583 -14.899 161 H GLU 28 H GLU 28 -6.074 10.417 -11.783 162 HA GLU 28 HA GLU 28 -3.586 9.268 -12.736 163 1HB GLU 28 1HB GLU 28 -4.725 11.864 -11.927 164 2HB GLU 28 2HB GLU 28 -2.995 11.714 -11.613 165 1HG GLU 28 1HG GLU 28 -3.746 10.645 -14.229 166 2HG GLU 28 2HG GLU 28 -4.149 12.355 -14.060 167 H LEU 29 H LEU 29 -4.666 10.492 -9.545 168 HA LEU 29 HA LEU 29 -2.213 9.774 -8.184 169 1HB LEU 29 1HB LEU 29 -5.029 10.529 -7.396 170 2HB LEU 29 2HB LEU 29 -3.822 10.119 -6.177 171 HG LEU 29 HG LEU 29 -3.342 12.201 -8.319 172 1HD1 LEU 29 1HD1 LEU 29 -5.304 12.587 -6.603 173 2HD1 LEU 29 2HD1 LEU 29 -3.987 12.882 -5.467 174 3HD1 LEU 29 3HD1 LEU 29 -4.143 13.880 -6.913 175 1HD2 LEU 29 1HD2 LEU 29 -1.564 10.916 -6.720 176 2HD2 LEU 29 2HD2 LEU 29 -1.347 12.583 -7.255 177 3HD2 LEU 29 3HD2 LEU 29 -2.020 12.249 -5.660 178 H GLU 30 H GLU 30 -5.405 8.215 -8.526 179 HA GLU 30 HA GLU 30 -5.071 6.051 -6.746 180 1HB GLU 30 1HB GLU 30 -7.022 6.899 -8.315 181 2HB GLU 30 2HB GLU 30 -6.359 5.710 -9.437 182 1HG GLU 30 1HG GLU 30 -6.471 4.036 -7.507 183 2HG GLU 30 2HG GLU 30 -7.454 5.231 -6.661 184 H GLY 31 H GLY 31 -4.188 6.234 -10.214 185 1HA GLY 31 2HA GLY 31 -2.639 4.977 -11.450 186 2HA GLY 31 1HA GLY 31 -3.128 3.611 -10.445 187 H LEU 32 H LEU 32 -1.836 6.471 -8.935 188 HA LEU 32 HA LEU 32 0.947 5.681 -8.921 189 1HB LEU 32 1HB LEU 32 -0.353 7.952 -8.471 190 2HB LEU 32 2HB LEU 32 -0.320 7.383 -6.802 191 HG LEU 32 HG LEU 32 2.162 7.060 -7.028 192 1HD1 LEU 32 1HD1 LEU 32 1.479 7.906 -9.774 193 2HD1 LEU 32 2HD1 LEU 32 2.884 8.718 -9.085 194 3HD1 LEU 32 3HD1 LEU 32 2.850 6.959 -9.196 195 1HD2 LEU 32 1HD2 LEU 32 0.733 9.666 -7.160 196 2HD2 LEU 32 2HD2 LEU 32 1.814 9.038 -5.916 197 3HD2 LEU 32 3HD2 LEU 32 2.479 9.721 -7.400 198 H MET 33 H MET 33 -1.791 5.157 -6.719 199 HA MET 33 HA MET 33 -0.330 4.078 -4.507 200 1HB MET 33 1HB MET 33 -3.097 4.202 -5.541 201 2HB MET 33 2HB MET 33 -2.776 2.838 -4.470 202 1HG MET 33 1HG MET 33 -2.301 4.200 -2.650 203 2HG MET 33 2HG MET 33 -1.796 5.551 -3.664 204 1HE MET 33 1HE MET 33 -4.552 3.121 -3.751 205 2HE MET 33 2HE MET 33 -5.194 3.670 -2.207 206 3HE MET 33 3HE MET 33 -6.068 4.018 -3.705 207 H MET 34 H MET 34 -2.035 2.399 -7.181 208 HA MET 34 HA MET 34 -1.469 -0.260 -6.538 209 1HB MET 34 2HB MET 34 -1.417 1.078 -9.262 210 2HB MET 34 1HB MET 34 -1.728 -0.632 -8.958 211 1HG MET 34 1HG MET 34 -3.532 0.628 -7.280 212 2HG MET 34 2HG MET 34 -3.535 1.664 -8.707 213 1HE MET 34 1HE MET 34 -3.866 -1.451 -7.046 214 2HE MET 34 2HE MET 34 -5.183 -2.309 -7.843 215 3HE MET 34 3HE MET 34 -3.519 -2.618 -8.329 216 H GLN 35 H GLN 35 0.582 1.898 -8.544 217 HA GLN 35 HA GLN 35 2.705 0.181 -9.123 218 1HB GLN 35 1HB GLN 35 2.508 2.440 -9.986 219 2HB GLN 35 2HB GLN 35 2.659 3.118 -8.365 220 1HG GLN 35 2HG GLN 35 4.893 3.179 -8.619 221 2HG GLN 35 1HG GLN 35 4.907 1.422 -8.778 222 2HE2 GLN 35 2HE2 GLN 35 4.026 4.268 -10.832 223 1HE2 GLN 35 1HE2 GLN 35 4.741 3.649 -12.242 224 H HIS 36 H HIS 36 3.212 2.608 -6.579 225 HA HIS 36 HA HIS 36 5.271 1.313 -5.202 226 1HB HIS 36 1HB HIS 36 3.018 3.076 -4.200 227 2HB HIS 36 2HB HIS 36 4.508 2.770 -3.312 228 HD1 HIS 36 HD1 HIS 36 6.651 3.035 -5.379 229 HD2 HIS 36 HD2 HIS 36 3.353 5.584 -5.310 230 HE1 HIS 36 HE1 HIS 36 7.336 5.126 -6.632 231 H ALA 37 H ALA 37 1.793 1.213 -4.311 232 HA ALA 37 HA ALA 37 1.826 -0.538 -2.151 233 1HB ALA 37 1HB ALA 37 -0.465 -1.066 -2.858 234 2HB ALA 37 3HB ALA 37 -0.130 0.635 -3.177 235 3HB ALA 37 2HB ALA 37 -0.104 -0.532 -4.499 236 H GLN 38 H GLN 38 2.187 -1.334 -5.590 237 HA GLN 38 HA GLN 38 2.104 -4.232 -5.151 238 1HB GLN 38 1HB GLN 38 2.452 -2.283 -7.375 239 2HB GLN 38 2HB GLN 38 3.170 -3.875 -7.619 240 1HG GLN 38 1HG GLN 38 1.096 -4.979 -7.412 241 2HG GLN 38 2HG GLN 38 0.336 -3.592 -6.632 242 2HE2 GLN 38 2HE2 GLN 38 2.249 -3.891 -9.683 243 1HE2 GLN 38 1HE2 GLN 38 1.069 -3.165 -10.663 244 H ASN 39 H ASN 39 4.558 -1.708 -5.486 245 HA ASN 39 HA ASN 39 6.756 -3.703 -5.343 246 1HB ASN 39 1HB ASN 39 6.506 -0.729 -5.830 247 2HB ASN 39 2HB ASN 39 8.078 -1.485 -5.568 248 2HD2 ASN 39 2HD2 ASN 39 8.084 -0.504 -8.000 249 1HD2 ASN 39 1HD2 ASN 39 7.695 -1.637 -9.203 250 H LEU 40 H LEU 40 4.835 -2.998 -3.070 251 HA LEU 40 HA LEU 40 4.958 -2.654 -0.750 252 1HB LEU 40 1HB LEU 40 7.703 -3.574 -1.591 253 2HB LEU 40 2HB LEU 40 7.373 -3.196 0.100 254 HG LEU 40 HG LEU 40 5.205 -4.732 -0.506 255 1HD1 LEU 40 1HD1 LEU 40 6.937 -5.103 -2.686 256 2HD1 LEU 40 2HD1 LEU 40 7.157 -6.534 -1.678 257 3HD1 LEU 40 3HD1 LEU 40 5.549 -6.105 -2.261 258 1HD2 LEU 40 1HD2 LEU 40 7.274 -4.844 1.235 259 2HD2 LEU 40 2HD2 LEU 40 6.110 -6.155 1.050 260 3HD2 LEU 40 3HD2 LEU 40 7.666 -6.235 0.224 261 H GLU 41 H GLU 41 5.166 -0.287 -2.364 262 HA GLU 41 HA GLU 41 7.040 1.370 -0.701 263 1HB GLU 41 1HB GLU 41 6.402 1.205 -3.593 264 2HB GLU 41 2HB GLU 41 6.546 2.841 -2.949 265 1HG GLU 41 1HG GLU 41 8.624 0.729 -2.370 266 2HG GLU 41 2HG GLU 41 8.705 1.732 -3.818 267 H PHE 42 H PHE 42 4.003 0.551 -0.579 268 HA PHE 42 HA PHE 42 2.371 2.807 -1.032 269 1HB PHE 42 1HB PHE 42 0.899 1.650 0.657 270 2HB PHE 42 2HB PHE 42 1.472 0.611 -0.643 271 HD1 PHE 42 HD1 PHE 42 2.529 1.752 2.798 272 HD2 PHE 42 HD2 PHE 42 2.392 -1.471 -0.077 273 HE1 PHE 42 HE1 PHE 42 3.533 0.210 4.471 274 HE2 PHE 42 HE2 PHE 42 3.384 -3.004 1.597 275 HZ PHE 42 HZ PHE 42 3.955 -2.167 3.873 276 H GLU 43 H GLU 43 4.877 2.508 1.318 277 HA GLU 43 HA GLU 43 3.884 3.832 3.587 278 1HB GLU 43 1HB GLU 43 6.154 2.939 3.379 279 2HB GLU 43 2HB GLU 43 6.531 4.119 2.122 280 1HG GLU 43 1HG GLU 43 5.954 5.920 3.853 281 2HG GLU 43 2HG GLU 43 6.008 4.630 5.054 282 H GLU 44 H GLU 44 5.631 5.489 0.953 283 HA GLU 44 HA GLU 44 4.380 8.066 1.615 284 1HB GLU 44 2HB GLU 44 5.854 8.842 -0.216 285 2HB GLU 44 1HB GLU 44 6.745 7.814 0.908 286 1HG GLU 44 1HG GLU 44 7.345 6.582 -0.886 287 2HG GLU 44 2HG GLU 44 5.675 6.016 -0.933 288 H ALA 45 H ALA 45 3.755 5.393 -0.501 289 HA ALA 45 HA ALA 45 2.255 6.873 -2.523 290 1HB ALA 45 1HB ALA 45 1.623 4.136 -2.590 291 2HB ALA 45 3HB ALA 45 3.273 4.207 -1.971 292 3HB ALA 45 2HB ALA 45 2.879 4.947 -3.524 293 H ALA 46 H ALA 46 1.340 4.679 0.153 294 HA ALA 46 HA ALA 46 -1.423 4.573 -0.282 295 1HB ALA 46 1HB ALA 46 0.296 4.516 2.195 296 2HB ALA 46 3HB ALA 46 -0.424 3.156 1.328 297 3HB ALA 46 2HB ALA 46 -1.444 4.244 2.269 298 H GLN 47 H GLN 47 0.403 7.146 1.429 299 HA GLN 47 HA GLN 47 -1.744 8.559 2.570 300 1HB GLN 47 1HB GLN 47 -0.267 10.560 2.220 301 2HB GLN 47 2HB GLN 47 0.590 9.172 2.895 302 1HG GLN 47 2HG GLN 47 2.023 9.256 1.171 303 2HG GLN 47 1HG GLN 47 0.689 8.910 0.070 304 2HE2 GLN 47 2HE2 GLN 47 -0.595 10.885 -0.683 305 1HE2 GLN 47 1HE2 GLN 47 0.227 12.361 -0.840 306 H ILE 48 H ILE 48 -0.898 8.186 -0.799 307 HA ILE 48 HA ILE 48 -2.204 10.405 -1.976 308 HB ILE 48 HB ILE 48 -1.931 7.503 -2.835 309 1HG1 ILE 48 1HG1 ILE 48 0.197 8.681 -2.397 310 2HG1 ILE 48 2HG1 ILE 48 -0.005 8.370 -4.122 311 1HG2 ILE 48 1HG2 ILE 48 -2.910 9.957 -4.276 312 2HG2 ILE 48 2HG2 ILE 48 -2.092 8.675 -5.168 313 3HG2 ILE 48 3HG2 ILE 48 -3.579 8.325 -4.286 314 1HD1 ILE 48 1HD1 ILE 48 -1.248 10.830 -3.758 315 2HD1 ILE 48 2HD1 ILE 48 0.165 10.921 -2.706 316 3HD1 ILE 48 3HD1 ILE 48 0.365 10.579 -4.424 317 H ARG 49 H ARG 49 -3.490 7.434 -0.570 318 HA ARG 49 HA ARG 49 -6.119 7.403 -1.585 319 1HB ARG 49 2HB ARG 49 -6.647 6.248 0.527 320 2HB ARG 49 1HB ARG 49 -5.071 5.730 -0.066 321 1HG ARG 49 2HG ARG 49 -4.459 6.184 2.098 322 2HG ARG 49 1HG ARG 49 -4.286 7.813 1.448 323 1HD ARG 49 1HD ARG 49 -6.895 7.932 2.049 324 2HD ARG 49 2HD ARG 49 -6.407 6.711 3.240 325 HE ARG 49 HE ARG 49 -4.721 9.142 3.020 326 1HH1 ARG 49 1HH1 ARG 49 -7.639 8.182 4.405 327 2HH1 ARG 49 2HH1 ARG 49 -7.204 8.600 6.028 328 1HH2 ARG 49 1HH2 ARG 49 -3.898 9.295 5.243 329 2HH2 ARG 49 2HH2 ARG 49 -5.086 9.231 6.502 330 H ASP 50 H ASP 50 -4.621 9.574 0.734 331 HA ASP 50 HA ASP 50 -7.036 10.758 1.785 332 1HB ASP 50 1HB ASP 50 -4.271 10.883 2.183 333 2HB ASP 50 2HB ASP 50 -4.686 12.493 1.595 334 H GLN 51 H GLN 51 -4.804 11.626 -0.868 335 HA GLN 51 HA GLN 51 -6.248 13.986 -1.703 336 1HB GLN 51 1HB GLN 51 -4.338 12.077 -3.091 337 2HB GLN 51 2HB GLN 51 -4.853 13.619 -3.776 338 1HG GLN 51 1HG GLN 51 -3.973 14.767 -1.736 339 2HG GLN 51 2HG GLN 51 -3.355 13.215 -1.171 340 2HE2 GLN 51 2HE2 GLN 51 -3.353 14.640 -4.482 341 1HE2 GLN 51 1HE2 GLN 51 -1.670 14.548 -4.680 342 H LEU 52 H LEU 52 -6.507 10.547 -2.434 343 HA LEU 52 HA LEU 52 -8.228 10.759 -4.738 344 1HB LEU 52 1HB LEU 52 -7.150 8.752 -2.889 345 2HB LEU 52 2HB LEU 52 -8.774 8.352 -3.448 346 HG LEU 52 HG LEU 52 -7.044 7.430 -4.961 347 1HD1 LEU 52 1HD1 LEU 52 -9.331 8.375 -5.736 348 2HD1 LEU 52 2HD1 LEU 52 -8.397 9.724 -6.382 349 3HD1 LEU 52 3HD1 LEU 52 -8.105 8.087 -6.969 350 1HD2 LEU 52 1HD2 LEU 52 -5.601 9.631 -4.423 351 2HD2 LEU 52 2HD2 LEU 52 -5.375 8.707 -5.908 352 3HD2 LEU 52 3HD2 LEU 52 -6.357 10.172 -5.922 353 H HIS 53 H HIS 53 -8.862 10.335 -1.250 354 HA HIS 53 HA HIS 53 -11.764 10.311 -1.586 355 1HB HIS 53 1HB HIS 53 -10.261 9.237 0.227 356 2HB HIS 53 2HB HIS 53 -10.190 10.849 0.938 357 HD1 HIS 53 HD1 HIS 53 -12.974 11.885 0.711 358 HD2 HIS 53 HD2 HIS 53 -12.211 7.896 1.647 359 HE1 HIS 53 HE1 HIS 53 -15.052 11.010 1.863 360 H GLN 54 H GLN 54 -9.296 12.708 -0.721 361 HA GLN 54 HA GLN 54 -11.064 14.790 0.155 362 1HB GLN 54 1HB GLN 54 -8.645 14.733 0.571 363 2HB GLN 54 2HB GLN 54 -8.328 14.844 -1.161 364 1HG GLN 54 1HG GLN 54 -9.618 17.032 -1.143 365 2HG GLN 54 2HG GLN 54 -9.590 16.941 0.618 366 2HE2 GLN 54 2HE2 GLN 54 -7.797 17.964 -2.118 367 1HE2 GLN 54 1HE2 GLN 54 -6.317 18.241 -1.333 368 H LEU 55 H LEU 55 -9.735 13.976 -3.055 369 HA LEU 55 HA LEU 55 -10.801 16.234 -4.461 370 1HB LEU 55 1HB LEU 55 -9.590 13.604 -4.998 371 2HB LEU 55 2HB LEU 55 -10.684 14.151 -6.269 372 HG LEU 55 HG LEU 55 -9.432 16.414 -6.086 373 1HD1 LEU 55 1HD1 LEU 55 -8.270 15.632 -3.940 374 2HD1 LEU 55 2HD1 LEU 55 -7.266 14.618 -4.976 375 3HD1 LEU 55 3HD1 LEU 55 -7.234 16.372 -5.161 376 1HD2 LEU 55 1HD2 LEU 55 -9.242 14.468 -7.853 377 2HD2 LEU 55 2HD2 LEU 55 -8.040 15.759 -7.846 378 3HD2 LEU 55 3HD2 LEU 55 -7.668 14.203 -7.103 379 H ARG 56 H ARG 56 -12.295 13.353 -3.218 380 HA ARG 56 HA ARG 56 -14.486 12.991 -4.968 381 1HB ARG 56 1HB ARG 56 -13.734 11.584 -3.011 382 2HB ARG 56 2HB ARG 56 -14.466 12.782 -1.942 383 1HG ARG 56 1HG ARG 56 -16.560 12.383 -3.557 384 2HG ARG 56 2HG ARG 56 -15.776 10.816 -3.766 385 1HD ARG 56 1HD ARG 56 -15.626 11.187 -1.027 386 2HD ARG 56 2HD ARG 56 -17.214 11.870 -1.431 387 HE ARG 56 HE ARG 56 -17.232 9.581 -2.902 388 1HH1 ARG 56 1HH1 ARG 56 -15.089 8.654 -0.905 389 2HH1 ARG 56 2HH1 ARG 56 -16.065 7.791 0.237 390 1HH2 ARG 56 1HH2 ARG 56 -19.050 9.152 -0.886 391 2HH2 ARG 56 2HH2 ARG 56 -18.308 8.073 0.247 392 H GLU 57 H GLU 57 -14.530 14.856 -1.894 393 HA GLU 57 HA GLU 57 -17.082 16.049 -2.308 394 1HB GLU 57 1HB GLU 57 -16.338 17.561 -0.520 395 2HB GLU 57 2HB GLU 57 -15.797 15.918 -0.176 396 1HG GLU 57 1HG GLU 57 -13.731 16.969 -1.710 397 2HG GLU 57 2HG GLU 57 -14.213 18.321 -0.687 398 H LEU 58 H LEU 58 -13.947 16.820 -3.637 399 HA LEU 58 HA LEU 58 -14.297 19.559 -4.314 400 1HB LEU 58 1HB LEU 58 -12.351 17.712 -4.547 401 2HB LEU 58 2HB LEU 58 -12.937 17.701 -6.211 402 HG LEU 58 HG LEU 58 -12.609 20.394 -5.054 403 1HD1 LEU 58 1HD1 LEU 58 -10.623 18.684 -4.336 404 2HD1 LEU 58 2HD1 LEU 58 -10.045 19.186 -5.926 405 3HD1 LEU 58 3HD1 LEU 58 -10.354 20.394 -4.678 406 1HD2 LEU 58 1HD2 LEU 58 -12.172 18.931 -7.624 407 2HD2 LEU 58 2HD2 LEU 58 -13.001 20.460 -7.331 408 3HD2 LEU 58 3HD2 LEU 58 -11.239 20.403 -7.353 409 H PHE 59 H PHE 59 -15.810 16.704 -5.599 410 HA PHE 59 HA PHE 59 -16.427 17.377 -8.247 411 1HB PHE 59 1HB PHE 59 -16.992 15.266 -7.115 412 2HB PHE 59 2HB PHE 59 -18.165 16.110 -6.104 413 HD1 PHE 59 HD1 PHE 59 -20.178 17.214 -7.175 414 HD2 PHE 59 HD2 PHE 59 -17.529 14.590 -9.351 415 HE1 PHE 59 HE1 PHE 59 -21.911 16.934 -8.945 416 HE2 PHE 59 HE2 PHE 59 -19.262 14.309 -11.122 417 HZ PHE 59 HZ PHE 59 -21.452 15.481 -10.918 418 H ILE 60 H ILE 60 -18.200 18.358 -5.293 419 HA ILE 60 HA ILE 60 -20.249 19.865 -6.579 420 HB ILE 60 HB ILE 60 -18.883 20.170 -3.884 421 1HG1 ILE 60 1HG1 ILE 60 -21.564 18.964 -4.081 422 2HG1 ILE 60 2HG1 ILE 60 -20.299 18.026 -4.877 423 1HG2 ILE 60 1HG2 ILE 60 -21.075 21.629 -5.184 424 2HG2 ILE 60 2HG2 ILE 60 -21.519 20.956 -3.616 425 3HG2 ILE 60 3HG2 ILE 60 -20.142 22.050 -3.747 426 1HD1 ILE 60 1HD1 ILE 60 -19.870 19.121 -2.105 427 2HD1 ILE 60 2HD1 ILE 60 -20.740 17.605 -2.344 428 3HD1 ILE 60 3HD1 ILE 60 -19.070 17.760 -2.892 429 H ALA 61 H ALA 61 -16.999 20.810 -5.455 430 HA ALA 61 HA ALA 61 -17.245 23.618 -5.994 431 1HB ALA 61 1HB ALA 61 -15.448 21.950 -4.811 432 2HB ALA 61 3HB ALA 61 -14.621 22.274 -6.334 433 3HB ALA 61 2HB ALA 61 -15.068 23.609 -5.272 434 H ALA 62 H ALA 62 -16.754 20.863 -8.069 435 HA ALA 62 HA ALA 62 -15.808 22.562 -10.321 436 1HB ALA 62 1HB ALA 62 -15.410 19.912 -9.412 437 2HB ALA 62 3HB ALA 62 -14.755 20.642 -10.877 438 3HB ALA 62 2HB ALA 62 -16.292 19.777 -10.934 439 H SER 63 H SER 63 -18.247 19.948 -10.006 440 HA SER 63 HA SER 63 -19.775 20.654 -12.287 441 1HB SER 63 1HB SER 63 -19.754 18.654 -10.486 442 2HB SER 63 2HB SER 63 -21.125 19.564 -9.858 443 HG SER 63 HG SER 63 -22.217 19.201 -11.678 444 H LEU 8 H LEU 8 19.310 -28.631 -2.394 445 HA LEU 8 HA LEU 8 19.413 -30.369 -0.055 446 1HB LEU 8 1HB LEU 8 20.254 -30.428 -2.679 447 2HB LEU 8 2HB LEU 8 21.770 -30.166 -1.815 448 HG LEU 8 HG LEU 8 19.928 -32.213 -0.686 449 1HD1 LEU 8 1HD1 LEU 8 20.876 -32.272 -3.444 450 2HD1 LEU 8 2HD1 LEU 8 21.491 -33.638 -2.511 451 3HD1 LEU 8 3HD1 LEU 8 19.753 -33.359 -2.625 452 1HD2 LEU 8 1HD2 LEU 8 22.917 -31.921 -1.108 453 2HD2 LEU 8 2HD2 LEU 8 22.035 -31.810 0.415 454 3HD2 LEU 8 3HD2 LEU 8 22.174 -33.361 -0.411 455 H GLU 9 H GLU 9 19.923 -29.222 1.835 456 HA GLU 9 HA GLU 9 21.249 -27.988 3.355 457 1HB GLU 9 1HB GLU 9 22.757 -29.855 1.974 458 2HB GLU 9 2HB GLU 9 23.696 -28.375 1.772 459 1HG GLU 9 1HG GLU 9 23.105 -28.152 4.392 460 2HG GLU 9 2HG GLU 9 23.088 -29.910 4.248 461 HA PRO 10 HA PRO 10 21.333 -24.317 0.582 462 1HB PRO 10 1HB PRO 10 20.029 -22.652 2.319 463 2HB PRO 10 2HB PRO 10 19.181 -23.732 1.195 464 1HG PRO 10 2HG PRO 10 19.698 -24.057 4.105 465 2HG PRO 10 1HG PRO 10 18.271 -24.498 3.154 466 1HD PRO 10 1HD PRO 10 20.168 -26.290 3.973 467 2HD PRO 10 2HD PRO 10 19.144 -26.515 2.538 468 H ASP 11 H ASP 11 21.643 -24.084 4.151 469 HA ASP 11 HA ASP 11 23.333 -23.128 5.489 470 1HB ASP 11 1HB ASP 11 24.545 -24.347 3.157 471 2HB ASP 11 2HB ASP 11 25.486 -22.947 3.670 472 H ASN 12 H ASN 12 24.525 -21.817 2.417 473 HA ASN 12 HA ASN 12 23.456 -19.126 3.135 474 1HB ASN 12 1HB ASN 12 25.768 -18.217 2.816 475 2HB ASN 12 2HB ASN 12 25.660 -19.331 4.180 476 2HD2 ASN 12 2HD2 ASN 12 27.058 -18.860 0.995 477 1HD2 ASN 12 1HD2 ASN 12 27.975 -20.288 0.976 478 H VAL 13 H VAL 13 22.993 -21.173 0.952 479 HA VAL 13 HA VAL 13 24.152 -19.930 -1.451 480 HB VAL 13 HB VAL 13 22.568 -22.351 -0.703 481 1HG1 VAL 13 1HG1 VAL 13 22.405 -20.995 -3.384 482 2HG1 VAL 13 2HG1 VAL 13 22.398 -22.757 -3.294 483 3HG1 VAL 13 3HG1 VAL 13 21.137 -21.827 -2.482 484 1HG2 VAL 13 1HG2 VAL 13 25.048 -21.662 -2.247 485 2HG2 VAL 13 2HG2 VAL 13 24.862 -22.744 -0.867 486 3HG2 VAL 13 3HG2 VAL 13 24.287 -23.239 -2.459 487 HA PRO 14 HA PRO 14 19.640 -18.613 -2.039 488 1HB PRO 14 1HB PRO 14 17.816 -19.080 -0.054 489 2HB PRO 14 2HB PRO 14 18.174 -20.251 -1.336 490 1HG PRO 14 1HG PRO 14 18.953 -20.282 1.500 491 2HG PRO 14 2HG PRO 14 18.759 -21.618 0.362 492 1HD PRO 14 1HD PRO 14 21.187 -20.453 1.207 493 2HD PRO 14 2HD PRO 14 20.957 -21.641 -0.086 494 H MET 15 H MET 15 19.362 -18.424 1.515 495 HA MET 15 HA MET 15 20.593 -15.844 1.791 496 1HB MET 15 1HB MET 15 18.039 -15.916 0.554 497 2HB MET 15 2HB MET 15 17.793 -15.266 2.175 498 1HG MET 15 1HG MET 15 19.030 -13.381 1.757 499 2HG MET 15 2HG MET 15 20.140 -14.224 0.677 500 1HE MET 15 1HE MET 15 19.330 -11.493 0.215 501 2HE MET 15 2HE MET 15 20.081 -12.210 -1.208 502 3HE MET 15 3HE MET 15 18.587 -11.291 -1.378 503 H ASP 16 H ASP 16 21.146 -15.869 3.932 504 HA ASP 16 HA ASP 16 19.507 -17.465 5.835 505 1HB ASP 16 1HB ASP 16 21.964 -17.797 5.610 506 2HB ASP 16 2HB ASP 16 22.218 -16.119 6.089 507 H MET 17 H MET 17 18.551 -14.834 4.866 508 HA MET 17 HA MET 17 19.040 -12.712 6.695 509 1HB MET 17 1HB MET 17 16.857 -11.894 5.829 510 2HB MET 17 2HB MET 17 17.875 -12.519 4.532 511 1HG MET 17 1HG MET 17 16.617 -14.792 5.124 512 2HG MET 17 2HG MET 17 15.383 -13.676 5.709 513 1HE MET 17 1HE MET 17 15.669 -11.198 4.037 514 2HE MET 17 2HE MET 17 14.580 -11.468 2.679 515 3HE MET 17 3HE MET 17 14.108 -11.968 4.309 516 H SER 18 H SER 18 16.901 -15.523 6.911 517 HA SER 18 HA SER 18 16.391 -14.831 9.770 518 1HB SER 18 1HB SER 18 13.977 -15.565 9.264 519 2HB SER 18 2HB SER 18 14.470 -13.997 8.630 520 HG SER 18 HG SER 18 14.079 -14.760 6.723 521 HA PRO 19 HA PRO 19 17.352 -19.144 10.087 522 1HB PRO 19 1HB PRO 19 16.619 -19.537 12.691 523 2HB PRO 19 2HB PRO 19 18.106 -18.692 12.221 524 1HG PRO 19 2HG PRO 19 15.518 -17.587 13.159 525 2HG PRO 19 1HG PRO 19 17.164 -17.017 13.462 526 1HD PRO 19 1HD PRO 19 15.441 -15.887 11.643 527 2HD PRO 19 2HD PRO 19 17.212 -15.759 11.567 528 H LYS 20 H LYS 20 15.171 -19.075 8.611 529 HA LYS 20 HA LYS 20 13.208 -20.244 8.048 530 1HB LYS 20 1HB LYS 20 13.522 -21.881 10.552 531 2HB LYS 20 2HB LYS 20 13.018 -22.394 8.951 532 1HG LYS 20 2HG LYS 20 15.126 -23.151 8.680 533 2HG LYS 20 1HG LYS 20 15.608 -21.460 8.539 534 1HD LYS 20 1HD LYS 20 16.698 -21.548 10.505 535 2HD LYS 20 2HD LYS 20 15.257 -22.159 11.322 536 1HE LYS 20 1HE LYS 20 15.859 -24.404 10.986 537 2HE LYS 20 2HE LYS 20 16.915 -24.015 9.614 538 1HZ LYS 20 1HZ LYS 20 18.297 -22.713 11.196 539 2HZ LYS 20 2HZ LYS 20 17.369 -23.344 12.471 540 3HZ LYS 20 3HZ LYS 20 18.300 -24.384 11.506 541 H ALA 21 H ALA 21 13.079 -20.385 11.630 542 HA ALA 21 HA ALA 21 10.358 -20.034 12.031 543 1HB ALA 21 1HB ALA 21 12.631 -18.741 13.573 544 2HB ALA 21 3HB ALA 21 11.025 -19.097 14.210 545 3HB ALA 21 2HB ALA 21 12.105 -20.415 13.753 546 H LEU 22 H LEU 22 12.735 -17.386 11.676 547 HA LEU 22 HA LEU 22 10.641 -15.330 11.657 548 1HB LEU 22 1HB LEU 22 13.632 -15.404 11.165 549 2HB LEU 22 2HB LEU 22 12.694 -13.916 11.059 550 HG LEU 22 HG LEU 22 11.851 -14.443 13.414 551 1HD1 LEU 22 1HD1 LEU 22 13.886 -16.594 12.984 552 2HD1 LEU 22 2HD1 LEU 22 13.743 -15.887 14.594 553 3HD1 LEU 22 3HD1 LEU 22 12.350 -16.668 13.845 554 1HD2 LEU 22 1HD2 LEU 22 13.863 -12.906 12.628 555 2HD2 LEU 22 2HD2 LEU 22 13.609 -13.230 14.343 556 3HD2 LEU 22 3HD2 LEU 22 14.836 -14.129 13.448 557 H GLN 23 H GLN 23 12.548 -17.176 9.356 558 HA GLN 23 HA GLN 23 12.170 -15.654 6.991 559 1HB GLN 23 1HB GLN 23 13.548 -17.784 7.506 560 2HB GLN 23 2HB GLN 23 12.066 -18.671 7.147 561 1HG GLN 23 1HG GLN 23 11.977 -17.416 4.942 562 2HG GLN 23 2HG GLN 23 13.603 -16.833 5.298 563 2HE2 GLN 23 2HE2 GLN 23 15.368 -18.358 5.174 564 1HE2 GLN 23 1HE2 GLN 23 15.167 -19.925 4.552 565 H GLN 24 H GLN 24 10.095 -18.224 8.376 566 HA GLN 24 HA GLN 24 8.060 -17.980 6.315 567 1HB GLN 24 1HB GLN 24 8.747 -19.875 8.056 568 2HB GLN 24 2HB GLN 24 7.535 -19.074 9.056 569 1HG GLN 24 1HG GLN 24 6.452 -19.309 6.432 570 2HG GLN 24 2HG GLN 24 7.119 -20.882 6.873 571 2HE2 GLN 24 2HE2 GLN 24 4.278 -19.225 7.005 572 1HE2 GLN 24 1HE2 GLN 24 3.613 -19.886 8.421 573 H LYS 25 H LYS 25 8.454 -16.714 9.622 574 HA LYS 25 HA LYS 25 5.856 -15.526 9.870 575 1HB LYS 25 1HB LYS 25 8.465 -15.547 11.203 576 2HB LYS 25 2HB LYS 25 7.640 -13.996 11.359 577 1HG LYS 25 2HG LYS 25 6.674 -15.088 13.143 578 2HG LYS 25 1HG LYS 25 5.557 -15.596 11.875 579 1HD LYS 25 1HD LYS 25 7.472 -17.497 11.603 580 2HD LYS 25 2HD LYS 25 7.604 -17.171 13.332 581 1HE LYS 25 1HE LYS 25 4.818 -17.291 12.693 582 2HE LYS 25 2HE LYS 25 5.606 -18.724 12.000 583 1HZ LYS 25 1HZ LYS 25 6.034 -17.729 14.768 584 2HZ LYS 25 2HZ LYS 25 5.015 -19.026 14.359 585 3HZ LYS 25 3HZ LYS 25 6.690 -19.140 14.092 586 H ILE 26 H ILE 26 8.996 -14.117 8.869 587 HA ILE 26 HA ILE 26 8.017 -11.486 8.324 588 HB ILE 26 HB ILE 26 10.313 -13.085 7.145 589 1HG1 ILE 26 1HG1 ILE 26 10.395 -11.057 9.387 590 2HG1 ILE 26 2HG1 ILE 26 10.146 -12.776 9.693 591 1HG2 ILE 26 1HG2 ILE 26 9.369 -10.700 6.207 592 2HG2 ILE 26 2HG2 ILE 26 10.507 -10.148 7.435 593 3HG2 ILE 26 3HG2 ILE 26 11.062 -11.189 6.124 594 1HD1 ILE 26 1HD1 ILE 26 12.478 -11.699 8.091 595 2HD1 ILE 26 2HD1 ILE 26 12.560 -12.018 9.823 596 3HD1 ILE 26 3HD1 ILE 26 12.262 -13.341 8.695 597 H HIS 27 H HIS 27 8.490 -14.306 6.172 598 HA HIS 27 HA HIS 27 7.559 -13.006 3.779 599 1HB HIS 27 1HB HIS 27 8.943 -15.132 4.076 600 2HB HIS 27 2HB HIS 27 7.435 -15.950 4.485 601 HD1 HIS 27 HD1 HIS 27 5.456 -15.533 2.563 602 HD2 HIS 27 HD2 HIS 27 9.426 -15.132 1.360 603 HE1 HIS 27 HE1 HIS 27 5.462 -15.725 0.038 604 H GLU 28 H GLU 28 5.914 -14.414 6.510 605 HA GLU 28 HA GLU 28 3.386 -14.959 5.196 606 1HB GLU 28 1HB GLU 28 4.587 -14.944 7.888 607 2HB GLU 28 2HB GLU 28 2.863 -14.572 7.874 608 1HG GLU 28 1HG GLU 28 3.537 -16.784 6.085 609 2HG GLU 28 2HG GLU 28 3.973 -17.119 7.761 610 H LEU 29 H LEU 29 4.557 -12.268 7.255 611 HA LEU 29 HA LEU 29 2.121 -10.720 7.013 612 1HB LEU 29 1HB LEU 29 4.967 -10.226 7.896 613 2HB LEU 29 2HB LEU 29 3.781 -8.922 7.879 614 HG LEU 29 HG LEU 29 3.288 -11.562 9.273 615 1HD1 LEU 29 1HD1 LEU 29 5.295 -10.059 10.088 616 2HD1 LEU 29 2HD1 LEU 29 4.009 -9.034 10.726 617 3HD1 LEU 29 3HD1 LEU 29 4.151 -10.708 11.264 618 1HD2 LEU 29 1HD2 LEU 29 1.525 -9.633 8.540 619 2HD2 LEU 29 2HD2 LEU 29 1.326 -10.619 9.989 620 3HD2 LEU 29 3HD2 LEU 29 2.028 -9.006 10.110 621 H GLU 30 H GLU 30 5.278 -10.652 5.348 622 HA GLU 30 HA GLU 30 4.944 -8.322 3.789 623 1HB GLU 30 1HB GLU 30 6.875 -10.101 4.108 624 2HB GLU 30 2HB GLU 30 6.167 -10.825 2.665 625 1HG GLU 30 1HG GLU 30 6.291 -8.498 1.609 626 2HG GLU 30 2HG GLU 30 7.314 -8.044 2.974 627 H GLY 31 H GLY 31 3.989 -11.684 2.995 628 1HA GLY 31 2HA GLY 31 2.391 -12.483 1.474 629 2HA GLY 31 1HA GLY 31 2.878 -11.139 0.441 630 H LEU 32 H LEU 32 1.669 -10.489 3.643 631 HA LEU 32 HA LEU 32 -1.127 -10.204 2.953 632 1HB LEU 32 1HB LEU 32 0.223 -10.442 5.228 633 2HB LEU 32 2HB LEU 32 0.217 -8.679 5.161 634 HG LEU 32 HG LEU 32 -2.275 -8.766 4.845 635 1HD1 LEU 32 1HD1 LEU 32 -1.637 -11.649 4.853 636 2HD1 LEU 32 2HD1 LEU 32 -3.012 -11.200 5.862 637 3HD1 LEU 32 3HD1 LEU 32 -3.012 -10.803 4.144 638 1HD2 LEU 32 1HD2 LEU 32 -0.803 -9.661 7.270 639 2HD2 LEU 32 2HD2 LEU 32 -1.868 -8.272 7.050 640 3HD2 LEU 32 3HD2 LEU 32 -2.553 -9.878 7.294 641 H MET 33 H MET 33 1.650 -7.989 3.017 642 HA MET 33 HA MET 33 0.218 -5.538 2.648 643 1HB MET 33 1HB MET 33 2.964 -6.606 2.410 644 2HB MET 33 2HB MET 33 2.643 -5.186 1.415 645 1HG MET 33 1HG MET 33 2.232 -3.823 3.248 646 2HG MET 33 2HG MET 33 1.726 -5.171 4.266 647 1HE MET 33 1HE MET 33 4.439 -4.609 1.852 648 2HE MET 33 2HE MET 33 5.123 -3.295 2.803 649 3HE MET 33 3HE MET 33 5.971 -4.844 2.693 650 H MET 34 H MET 34 1.835 -7.647 0.237 651 HA MET 34 HA MET 34 1.237 -6.261 -2.114 652 1HB MET 34 2HB MET 34 1.149 -9.253 -1.612 653 2HB MET 34 1HB MET 34 1.437 -8.477 -3.169 654 1HG MET 34 1HG MET 34 3.299 -7.259 -1.522 655 2HG MET 34 2HG MET 34 3.288 -8.922 -0.939 656 1HE MET 34 1HE MET 34 3.602 -6.446 -3.455 657 2HE MET 34 2HE MET 34 4.886 -6.984 -4.535 658 3HE MET 34 3HE MET 34 3.206 -7.335 -4.933 659 H GLN 35 H GLN 35 -0.819 -8.767 -0.571 660 HA GLN 35 HA GLN 35 -2.983 -8.796 -2.333 661 1HB GLN 35 1HB GLN 35 -2.767 -10.272 -0.421 662 2HB GLN 35 2HB GLN 35 -2.870 -8.912 0.697 663 1HG GLN 35 2HG GLN 35 -5.107 -9.135 0.734 664 2HG GLN 35 1HG GLN 35 -5.155 -8.785 -0.994 665 2HE2 GLN 35 2HE2 GLN 35 -4.271 -11.582 1.124 666 1HE2 GLN 35 1HE2 GLN 35 -5.029 -12.744 0.146 667 H HIS 36 H HIS 36 -3.392 -7.046 0.732 668 HA HIS 36 HA HIS 36 -5.444 -5.324 -0.068 669 1HB HIS 36 1HB HIS 36 -3.140 -4.904 1.855 670 2HB HIS 36 2HB HIS 36 -4.615 -3.940 1.849 671 HD1 HIS 36 HD1 HIS 36 -6.797 -5.964 1.561 672 HD2 HIS 36 HD2 HIS 36 -3.455 -6.678 3.948 673 HE1 HIS 36 HE1 HIS 36 -7.473 -7.751 3.225 674 H ALA 37 H ALA 37 -1.950 -4.497 0.010 675 HA ALA 37 HA ALA 37 -1.968 -1.926 -1.050 676 1HB ALA 37 1HB ALA 37 -0.013 -3.275 -0.265 677 2HB ALA 37 3HB ALA 37 -0.089 -4.207 -1.760 678 3HB ALA 37 2HB ALA 37 0.299 -2.488 -1.811 679 H GLN 38 H GLN 38 -2.417 -4.987 -2.787 680 HA GLN 38 HA GLN 38 -2.374 -3.739 -5.440 681 1HB GLN 38 1HB GLN 38 -2.737 -6.421 -4.201 682 2HB GLN 38 2HB GLN 38 -3.489 -6.189 -5.779 683 1HG GLN 38 1HG GLN 38 -1.430 -5.707 -6.826 684 2HG GLN 38 2HG GLN 38 -0.629 -5.369 -5.291 685 2HE2 GLN 38 2HE2 GLN 38 -2.613 -8.176 -6.404 686 1HE2 GLN 38 1HE2 GLN 38 -1.442 -9.341 -6.016 687 H ASN 39 H ASN 39 -4.791 -4.741 -3.060 688 HA ASN 39 HA ASN 39 -7.021 -3.999 -4.880 689 1HB ASN 39 1HB ASN 39 -6.728 -5.320 -2.176 690 2HB ASN 39 2HB ASN 39 -8.307 -4.828 -2.788 691 2HD2 ASN 39 2HD2 ASN 39 -8.349 -7.439 -2.544 692 1HD2 ASN 39 1HD2 ASN 39 -8.006 -8.273 -3.981 693 H LEU 40 H LEU 40 -5.038 -2.054 -3.600 694 HA LEU 40 HA LEU 40 -5.102 0.073 -2.605 695 1HB LEU 40 1HB LEU 40 -7.881 -0.426 -3.663 696 2HB LEU 40 2HB LEU 40 -7.508 1.081 -2.826 697 HG LEU 40 HG LEU 40 -5.380 0.905 -4.520 698 1HD1 LEU 40 1HD1 LEU 40 -7.168 -1.048 -5.458 699 2HD1 LEU 40 2HD1 LEU 40 -7.390 0.331 -6.535 700 3HD1 LEU 40 3HD1 LEU 40 -5.788 -0.377 -6.329 701 1HD2 LEU 40 1HD2 LEU 40 -7.408 2.641 -4.080 702 2HD2 LEU 40 2HD2 LEU 40 -6.275 2.817 -5.420 703 3HD2 LEU 40 3HD2 LEU 40 -7.852 2.075 -5.690 704 H GLU 41 H GLU 41 -5.305 -2.148 -0.793 705 HA GLU 41 HA GLU 41 -7.112 -0.999 1.312 706 1HB GLU 41 1HB GLU 41 -6.540 -3.732 0.313 707 2HB GLU 41 2HB GLU 41 -6.642 -3.580 2.068 708 1HG GLU 41 1HG GLU 41 -8.744 -2.388 0.258 709 2HG GLU 41 2HG GLU 41 -8.839 -4.062 0.807 710 H PHE 42 H PHE 42 -4.089 -0.694 0.493 711 HA PHE 42 HA PHE 42 -2.427 -1.800 2.487 712 1HB PHE 42 1HB PHE 42 -0.939 0.124 1.827 713 2HB PHE 42 2HB PHE 42 -1.559 -0.815 0.474 714 HD1 PHE 42 HD1 PHE 42 -2.518 2.173 2.573 715 HD2 PHE 42 HD2 PHE 42 -2.502 0.339 -1.338 716 HE1 PHE 42 HE1 PHE 42 -3.512 4.235 1.596 717 HE2 PHE 42 HE2 PHE 42 -3.481 2.396 -2.307 718 HZ PHE 42 HZ PHE 42 -3.986 4.349 -0.842 719 H GLU 43 H GLU 43 -4.886 0.576 2.931 720 HA GLU 43 HA GLU 43 -3.821 2.356 4.824 721 1HB GLU 43 1HB GLU 43 -6.109 2.448 3.962 722 2HB GLU 43 2HB GLU 43 -6.494 0.913 4.742 723 1HG GLU 43 1HG GLU 43 -5.848 2.046 6.948 724 2HG GLU 43 2HG GLU 43 -5.898 3.566 6.057 725 H GLU 44 H GLU 44 -5.596 -0.614 5.699 726 HA GLU 44 HA GLU 44 -4.287 -0.738 8.329 727 1HB GLU 44 2HB GLU 44 -5.786 -2.690 8.582 728 2HB GLU 44 1HB GLU 44 -6.671 -1.306 7.939 729 1HG GLU 44 1HG GLU 44 -7.330 -2.663 6.260 730 2HG GLU 44 2HG GLU 44 -5.671 -2.572 5.666 731 H ALA 45 H ALA 45 -3.754 -2.011 5.149 732 HA ALA 45 HA ALA 45 -2.273 -4.395 5.956 733 1HB ALA 45 1HB ALA 45 -3.324 -3.086 3.581 734 2HB ALA 45 3HB ALA 45 -1.691 -3.689 3.299 735 3HB ALA 45 2HB ALA 45 -2.955 -4.793 3.840 736 H ALA 46 H ALA 46 -1.339 -1.218 4.595 737 HA ALA 46 HA ALA 46 1.411 -1.648 4.305 738 1HB ALA 46 1HB ALA 46 1.483 0.888 4.719 739 2HB ALA 46 3HB ALA 46 0.423 0.314 3.432 740 3HB ALA 46 2HB ALA 46 -0.253 0.768 4.999 741 H GLN 47 H GLN 47 -0.329 -0.717 7.302 742 HA GLN 47 HA GLN 47 1.867 -0.061 8.932 743 1HB GLN 47 1HB GLN 47 0.418 -0.945 10.782 744 2HB GLN 47 2HB GLN 47 -0.447 0.110 9.666 745 1HG GLN 47 2HG GLN 47 -1.916 -1.541 9.287 746 2HG GLN 47 1HG GLN 47 -0.613 -2.519 8.610 747 2HE2 GLN 47 2HE2 GLN 47 0.689 -3.824 10.258 748 1HE2 GLN 47 1HE2 GLN 47 -0.111 -4.385 11.645 749 H ILE 48 H ILE 48 0.941 -3.169 7.631 750 HA ILE 48 HA ILE 48 2.259 -4.954 9.390 751 HB ILE 48 HB ILE 48 1.917 -4.941 6.371 752 1HG1 ILE 48 2HG1 ILE 48 -0.180 -4.823 7.674 753 2HG1 ILE 48 1HG1 ILE 48 -0.021 -6.391 6.878 754 1HG2 ILE 48 1HG2 ILE 48 2.909 -7.038 8.289 755 2HG2 ILE 48 2HG2 ILE 48 2.045 -7.514 6.826 756 3HG2 ILE 48 3HG2 ILE 48 3.545 -6.595 6.705 757 1HD1 ILE 48 1HD1 ILE 48 1.273 -6.764 9.311 758 2HD1 ILE 48 2HD1 ILE 48 -0.115 -5.761 9.731 759 3HD1 ILE 48 3HD1 ILE 48 -0.359 -7.306 8.917 760 H ARG 49 H ARG 49 3.523 -2.775 6.917 761 HA ARG 49 HA ARG 49 6.129 -3.781 6.537 762 1HB ARG 49 2HB ARG 49 6.682 -1.436 6.020 763 2HB ARG 49 1HB ARG 49 5.084 -1.830 5.391 764 1HG ARG 49 2HG ARG 49 4.529 0.122 6.459 765 2HG ARG 49 1HG ARG 49 4.370 -0.964 7.838 766 1HD ARG 49 1HD ARG 49 6.993 -0.464 8.066 767 2HD ARG 49 2HD ARG 49 6.511 1.034 7.246 768 HE ARG 49 HE ARG 49 4.862 0.157 9.551 769 1HH1 ARG 49 1HH1 ARG 49 7.793 1.711 8.959 770 2HH1 ARG 49 2HH1 ARG 49 7.401 3.154 9.833 771 1HH2 ARG 49 1HH2 ARG 49 4.092 2.256 10.351 772 2HH2 ARG 49 2HH2 ARG 49 5.305 3.462 10.621 773 H ASP 50 H ASP 50 4.720 -2.156 9.313 774 HA ASP 50 HA ASP 50 7.178 -1.527 10.692 775 1HB ASP 50 1HB ASP 50 4.425 -1.137 10.989 776 2HB ASP 50 2HB ASP 50 4.856 -2.168 12.355 777 H GLN 51 H GLN 51 4.904 -4.282 10.817 778 HA GLN 51 HA GLN 51 6.370 -5.779 12.807 779 1HB GLN 51 1HB GLN 51 4.397 -6.533 10.624 780 2HB GLN 51 2HB GLN 51 4.924 -7.638 11.893 781 1HG GLN 51 1HG GLN 51 4.110 -5.999 13.598 782 2HG GLN 51 2HG GLN 51 3.477 -5.004 12.286 783 2HE2 GLN 51 2HE2 GLN 51 3.428 -8.584 12.705 784 1HE2 GLN 51 1HE2 GLN 51 1.739 -8.720 12.598 785 H LEU 52 H LEU 52 6.552 -5.500 9.297 786 HA LEU 52 HA LEU 52 8.226 -7.795 8.801 787 1HB LEU 52 1HB LEU 52 7.153 -5.432 7.433 788 2HB LEU 52 2HB LEU 52 8.757 -5.878 6.852 789 HG LEU 52 HG LEU 52 6.979 -7.036 5.576 790 1HD1 LEU 52 1HD1 LEU 52 9.265 -8.084 6.206 791 2HD1 LEU 52 2HD1 LEU 52 8.342 -9.076 7.335 792 3HD1 LEU 52 3HD1 LEU 52 8.007 -9.165 5.606 793 1HD2 LEU 52 1HD2 LEU 52 5.586 -7.129 7.872 794 2HD2 LEU 52 2HD2 LEU 52 5.312 -8.283 6.568 795 3HD2 LEU 52 3HD2 LEU 52 6.320 -8.731 7.944 796 H HIS 53 H HIS 53 8.930 -4.341 9.376 797 HA HIS 53 HA HIS 53 11.823 -4.703 9.190 798 1HB HIS 53 1HB HIS 53 10.341 -2.635 8.714 799 2HB HIS 53 2HB HIS 53 10.314 -2.414 10.464 800 HD1 HIS 53 HD1 HIS 53 13.110 -2.973 11.327 801 HD2 HIS 53 HD2 HIS 53 12.298 -0.923 7.789 802 HE1 HIS 53 HE1 HIS 53 15.197 -1.652 10.770 803 H GLN 54 H GLN 54 9.417 -4.520 11.792 804 HA GLN 54 HA GLN 54 11.240 -4.306 13.995 805 1HB GLN 54 1HB GLN 54 8.830 -3.852 14.115 806 2HB GLN 54 2HB GLN 54 8.476 -5.538 13.734 807 1HG GLN 54 1HG GLN 54 9.806 -6.169 15.806 808 2HG GLN 54 2HG GLN 54 9.816 -4.454 16.222 809 2HE2 GLN 54 2HE2 GLN 54 7.980 -7.340 16.462 810 1HE2 GLN 54 1HE2 GLN 54 6.524 -6.643 16.987 811 H LEU 55 H LEU 55 9.827 -7.128 12.328 812 HA LEU 55 HA LEU 55 10.901 -9.138 14.067 813 1HB LEU 55 1HB LEU 55 9.633 -8.880 11.422 814 2HB LEU 55 2HB LEU 55 10.708 -10.272 11.556 815 HG LEU 55 HG LEU 55 9.500 -10.725 13.806 816 1HD1 LEU 55 1HD1 LEU 55 8.372 -8.427 13.697 817 2HD1 LEU 55 2HD1 LEU 55 7.328 -9.113 12.452 818 3HD1 LEU 55 3HD1 LEU 55 7.322 -9.791 14.080 819 1HD2 LEU 55 1HD2 LEU 55 9.238 -11.857 11.441 820 2HD2 LEU 55 2HD2 LEU 55 8.059 -12.201 12.707 821 3HD2 LEU 55 3HD2 LEU 55 7.676 -11.039 11.437 822 H ARG 56 H ARG 56 12.371 -7.147 11.627 823 HA ARG 56 HA ARG 56 14.517 -8.755 10.730 824 1HB ARG 56 1HB ARG 56 13.781 -6.467 9.957 825 2HB ARG 56 2HB ARG 56 14.557 -5.795 11.392 826 1HG ARG 56 1HG ARG 56 16.609 -7.261 10.501 827 2HG ARG 56 2HG ARG 56 15.793 -7.001 8.958 828 1HD ARG 56 1HD ARG 56 15.709 -4.481 10.100 829 2HD ARG 56 2HD ARG 56 17.299 -5.089 10.602 830 HE ARG 56 HE ARG 56 17.246 -5.843 7.988 831 1HH1 ARG 56 1HH1 ARG 56 15.132 -3.630 7.720 832 2HH1 ARG 56 2HH1 ARG 56 16.118 -2.306 7.198 833 1HH2 ARG 56 1HH2 ARG 56 19.101 -3.818 8.112 834 2HH2 ARG 56 2HH2 ARG 56 18.364 -2.411 7.419 835 H GLU 57 H GLU 57 14.658 -6.344 13.396 836 HA GLU 57 HA GLU 57 17.224 -7.122 14.359 837 1HB GLU 57 2HB GLU 57 16.545 -5.830 16.336 838 2HB GLU 57 1HB GLU 57 15.984 -5.022 14.872 839 1HG GLU 57 1HG GLU 57 13.903 -6.758 15.487 840 2HG GLU 57 2HG GLU 57 14.430 -6.174 17.065 841 H LEU 58 H LEU 58 14.074 -8.566 14.791 842 HA LEU 58 HA LEU 58 14.458 -10.004 17.213 843 1HB LEU 58 1HB LEU 58 12.475 -9.668 15.422 844 2HB LEU 58 2HB LEU 58 13.024 -11.268 14.922 845 HG LEU 58 HG LEU 58 12.768 -10.925 17.841 846 1HD1 LEU 58 1HD1 LEU 58 10.769 -9.716 16.452 847 2HD1 LEU 58 2HD1 LEU 58 10.165 -11.373 16.492 848 3HD1 LEU 58 3HD1 LEU 58 10.523 -10.528 17.999 849 1HD2 LEU 58 1HD2 LEU 58 12.249 -12.962 15.715 850 2HD2 LEU 58 2HD2 LEU 58 13.112 -13.132 17.242 851 3HD2 LEU 58 3HD2 LEU 58 11.349 -13.108 17.224 852 H PHE 59 H PHE 59 15.892 -10.441 14.076 853 HA PHE 59 HA PHE 59 16.462 -13.182 13.951 854 1HB PHE 59 1HB PHE 59 17.012 -11.506 12.236 855 2HB PHE 59 2HB PHE 59 18.222 -10.793 13.304 856 HD1 PHE 59 HD1 PHE 59 20.230 -12.167 14.012 857 HD2 PHE 59 HD2 PHE 59 17.490 -13.461 10.937 858 HE1 PHE 59 HE1 PHE 59 21.920 -13.810 13.199 859 HE2 PHE 59 HE2 PHE 59 19.179 -15.104 10.123 860 HZ PHE 59 HZ PHE 59 21.394 -15.278 11.254 861 H ILE 60 H ILE 60 18.314 -10.659 15.694 862 HA ILE 60 HA ILE 60 20.362 -12.356 16.720 863 HB ILE 60 HB ILE 60 19.063 -9.839 17.816 864 1HG1 ILE 60 1HG1 ILE 60 21.718 -9.725 16.543 865 2HG1 ILE 60 2HG1 ILE 60 20.421 -10.200 15.446 866 1HG2 ILE 60 1HG2 ILE 60 21.251 -11.539 18.790 867 2HG2 ILE 60 2HG2 ILE 60 21.719 -9.851 18.584 868 3HG2 ILE 60 3HG2 ILE 60 20.358 -10.269 19.627 869 1HD1 ILE 60 1HD1 ILE 60 20.069 -7.849 17.296 870 2HD1 ILE 60 2HD1 ILE 60 20.907 -7.660 15.756 871 3HD1 ILE 60 3HD1 ILE 60 19.229 -8.202 15.786 872 H ALA 61 H ALA 61 17.156 -11.497 18.022 873 HA ALA 61 HA ALA 61 17.439 -12.820 20.552 874 1HB ALA 61 1HB ALA 61 15.640 -11.181 19.334 875 2HB ALA 61 3HB ALA 61 14.785 -12.720 19.228 876 3HB ALA 61 2HB ALA 61 15.278 -12.092 20.800 877 H ALA 62 H ALA 62 16.855 -14.013 17.331 878 HA ALA 62 HA ALA 62 15.890 -16.640 18.339 879 1HB ALA 62 1HB ALA 62 14.791 -16.608 16.364 880 2HB ALA 62 2HB ALA 62 16.311 -16.439 15.484 881 3HB ALA 62 3HB ALA 62 15.466 -15.005 16.068 882 H SER 63 H SER 63 18.288 -15.632 15.867 883 HA SER 63 HA SER 63 19.778 -18.043 15.858 884 1HB SER 63 1HB SER 63 19.762 -15.745 14.456 885 2HB SER 63 2HB SER 63 21.162 -15.425 15.476 886 HG SER 63 HG SER 63 22.207 -17.083 14.583 No H/Q in entry = 886 Start of MODEL 4 1 H LEU 8 H LEU 8 -23.376 2.424 -26.528 2 HA LEU 8 HA LEU 8 -22.352 1.805 -29.117 3 1HB LEU 8 1HB LEU 8 -24.780 0.446 -28.295 4 2HB LEU 8 2HB LEU 8 -25.082 1.450 -29.713 5 HG LEU 8 HG LEU 8 -24.342 -0.814 -30.369 6 1HD1 LEU 8 1HD1 LEU 8 -22.898 1.671 -31.017 7 2HD1 LEU 8 2HD1 LEU 8 -22.004 0.200 -31.402 8 3HD1 LEU 8 3HD1 LEU 8 -23.604 0.466 -32.095 9 1HD2 LEU 8 1HD2 LEU 8 -22.478 -0.362 -28.223 10 2HD2 LEU 8 2HD2 LEU 8 -22.770 -1.848 -29.129 11 3HD2 LEU 8 3HD2 LEU 8 -21.580 -0.682 -29.708 12 H GLU 9 H GLU 9 -22.337 3.755 -30.175 13 HA GLU 9 HA GLU 9 -22.857 6.009 -30.667 14 1HB GLU 9 1HB GLU 9 -24.911 4.494 -31.326 15 2HB GLU 9 2HB GLU 9 -25.695 5.301 -29.968 16 1HG GLU 9 1HG GLU 9 -25.210 7.493 -30.960 17 2HG GLU 9 2HG GLU 9 -24.369 6.714 -32.301 18 HA PRO 10 HA PRO 10 -23.170 7.033 -26.164 19 1HB PRO 10 1HB PRO 10 -20.940 8.617 -26.091 20 2HB PRO 10 2HB PRO 10 -20.882 6.857 -25.863 21 1HG PRO 10 2HG PRO 10 -20.241 8.477 -28.274 22 2HG PRO 10 1HG PRO 10 -19.449 7.024 -27.646 23 1HD PRO 10 1HD PRO 10 -21.192 7.010 -29.748 24 2HD PRO 10 2HD PRO 10 -20.921 5.615 -28.680 25 H ASP 11 H ASP 11 -22.022 9.271 -28.720 26 HA ASP 11 HA ASP 11 -22.787 11.413 -29.346 27 1HB ASP 11 1HB ASP 11 -25.042 9.813 -28.512 28 2HB ASP 11 2HB ASP 11 -25.318 11.498 -28.069 29 H ASN 12 H ASN 12 -24.586 11.229 -26.287 30 HA ASN 12 HA ASN 12 -22.684 13.204 -25.088 31 1HB ASN 12 1HB ASN 12 -24.709 14.492 -24.365 32 2HB ASN 12 2HB ASN 12 -24.538 14.421 -26.119 33 2HD2 ASN 12 2HD2 ASN 12 -26.275 12.872 -23.386 34 1HD2 ASN 12 1HD2 ASN 12 -27.595 12.351 -24.319 35 H VAL 13 H VAL 13 -23.362 10.259 -24.663 36 HA VAL 13 HA VAL 13 -24.844 10.006 -22.209 37 HB VAL 13 HB VAL 13 -23.035 8.368 -23.940 38 1HG1 VAL 13 1HG1 VAL 13 -23.702 7.698 -21.065 39 2HG1 VAL 13 2HG1 VAL 13 -23.372 6.445 -22.260 40 3HG1 VAL 13 3HG1 VAL 13 -22.129 7.630 -21.861 41 1HG2 VAL 13 1HG2 VAL 13 -25.859 8.468 -23.065 42 2HG2 VAL 13 2HG2 VAL 13 -25.175 8.008 -24.625 43 3HG2 VAL 13 3HG2 VAL 13 -25.192 6.851 -23.294 44 HA PRO 14 HA PRO 14 -20.626 9.968 -19.988 45 1HB PRO 14 1HB PRO 14 -18.356 10.464 -21.429 46 2HB PRO 14 2HB PRO 14 -19.026 8.833 -21.221 47 1HG PRO 14 2HG PRO 14 -19.212 10.674 -23.548 48 2HG PRO 14 1HG PRO 14 -19.039 8.912 -23.508 49 1HD PRO 14 1HD PRO 14 -21.401 10.204 -24.001 50 2HD PRO 14 2HD PRO 14 -21.275 8.567 -23.324 51 H MET 15 H MET 15 -20.409 12.176 -22.792 52 HA MET 15 HA MET 15 -20.135 14.518 -22.882 53 1HB MET 15 1HB MET 15 -22.276 13.887 -21.389 54 2HB MET 15 2HB MET 15 -21.320 14.697 -20.148 55 1HG MET 15 1HG MET 15 -21.037 16.397 -22.298 56 2HG MET 15 2HG MET 15 -22.698 15.831 -22.485 57 1HE MET 15 1HE MET 15 -21.534 18.418 -22.212 58 2HE MET 15 2HE MET 15 -22.860 19.219 -21.373 59 3HE MET 15 3HE MET 15 -21.265 19.155 -20.625 60 H ASP 16 H ASP 16 -19.818 16.233 -20.509 61 HA ASP 16 HA ASP 16 -17.202 15.289 -19.408 62 1HB ASP 16 1HB ASP 16 -17.774 17.437 -21.311 63 2HB ASP 16 2HB ASP 16 -16.893 18.016 -19.896 64 H MET 17 H MET 17 -19.557 15.240 -17.929 65 HA MET 17 HA MET 17 -20.343 17.562 -16.539 66 1HB MET 17 1HB MET 17 -21.029 15.932 -14.797 67 2HB MET 17 2HB MET 17 -21.418 15.344 -16.413 68 1HG MET 17 1HG MET 17 -19.240 14.077 -16.393 69 2HG MET 17 2HG MET 17 -19.053 14.538 -14.701 70 1HE MET 17 1HE MET 17 -20.520 12.829 -17.365 71 2HE MET 17 2HE MET 17 -20.467 11.237 -16.611 72 3HE MET 17 3HE MET 17 -22.018 12.036 -16.861 73 H SER 18 H SER 18 -17.598 15.373 -15.894 74 HA SER 18 HA SER 18 -16.753 16.607 -13.442 75 1HB SER 18 1HB SER 18 -15.017 15.237 -15.507 76 2HB SER 18 2HB SER 18 -14.808 15.249 -13.758 77 HG SER 18 HG SER 18 -16.056 13.457 -15.154 78 HA PRO 19 HA PRO 19 -14.699 20.149 -15.071 79 1HB PRO 19 1HB PRO 19 -12.961 20.677 -13.033 80 2HB PRO 19 2HB PRO 19 -14.711 20.938 -12.909 81 1HG PRO 19 1HG PRO 19 -13.043 18.860 -11.694 82 2HG PRO 19 2HG PRO 19 -14.628 19.463 -11.204 83 1HD PRO 19 1HD PRO 19 -14.036 17.056 -12.610 84 2HD PRO 19 2HD PRO 19 -15.635 17.709 -12.192 85 H LYS 20 H LYS 20 -13.392 17.337 -15.532 86 HA LYS 20 HA LYS 20 -11.483 16.575 -16.681 87 1HB LYS 20 1HB LYS 20 -12.020 18.861 -17.788 88 2HB LYS 20 2HB LYS 20 -10.648 19.469 -16.863 89 1HG LYS 20 1HG LYS 20 -10.211 16.935 -18.354 90 2HG LYS 20 2HG LYS 20 -10.381 18.397 -19.326 91 1HD LYS 20 1HD LYS 20 -8.710 19.147 -17.206 92 2HD LYS 20 2HD LYS 20 -8.146 17.544 -17.677 93 1HE LYS 20 1HE LYS 20 -8.308 18.466 -20.122 94 2HE LYS 20 2HE LYS 20 -8.268 20.056 -19.335 95 1HZ LYS 20 1HZ LYS 20 -6.350 19.090 -17.991 96 2HZ LYS 20 2HZ LYS 20 -6.273 17.877 -19.174 97 3HZ LYS 20 3HZ LYS 20 -6.029 19.503 -19.608 98 H ALA 21 H ALA 21 -10.225 19.472 -14.970 99 HA ALA 21 HA ALA 21 -7.720 18.527 -14.239 100 1HB ALA 21 1HB ALA 21 -7.940 20.670 -13.523 101 2HB ALA 21 2HB ALA 21 -9.679 20.496 -13.293 102 3HB ALA 21 3HB ALA 21 -8.566 19.969 -12.031 103 H LEU 22 H LEU 22 -10.743 18.056 -12.386 104 HA LEU 22 HA LEU 22 -9.420 16.372 -10.379 105 1HB LEU 22 1HB LEU 22 -12.237 17.244 -11.038 106 2HB LEU 22 2HB LEU 22 -11.930 16.050 -9.777 107 HG LEU 22 HG LEU 22 -10.342 17.683 -8.711 108 1HD1 LEU 22 1HD1 LEU 22 -11.292 19.284 -11.054 109 2HD1 LEU 22 2HD1 LEU 22 -10.955 20.128 -9.544 110 3HD1 LEU 22 3HD1 LEU 22 -9.684 19.198 -10.339 111 1HD2 LEU 22 1HD2 LEU 22 -13.281 18.120 -9.039 112 2HD2 LEU 22 2HD2 LEU 22 -12.362 17.722 -7.587 113 3HD2 LEU 22 3HD2 LEU 22 -12.359 19.373 -8.208 114 H GLN 23 H GLN 23 -11.661 15.929 -13.090 115 HA GLN 23 HA GLN 23 -12.196 13.175 -12.906 116 1HB GLN 23 1HB GLN 23 -13.018 14.994 -14.537 117 2HB GLN 23 2HB GLN 23 -11.575 14.630 -15.484 118 1HG GLN 23 1HG GLN 23 -12.276 12.224 -15.531 119 2HG GLN 23 2HG GLN 23 -13.778 12.690 -14.729 120 2HE2 GLN 23 2HE2 GLN 23 -11.840 13.869 -17.552 121 1HE2 GLN 23 1HE2 GLN 23 -13.184 14.068 -18.569 122 H GLN 24 H GLN 24 -9.502 14.695 -14.733 123 HA GLN 24 HA GLN 24 -8.225 12.171 -15.354 124 1HB GLN 24 1HB GLN 24 -8.040 14.376 -16.578 125 2HB GLN 24 2HB GLN 24 -7.053 14.968 -15.241 126 1HG GLN 24 1HG GLN 24 -6.158 12.363 -16.225 127 2HG GLN 24 2HG GLN 24 -6.103 13.613 -17.469 128 2HE2 GLN 24 2HE2 GLN 24 -4.058 12.232 -15.389 129 1HE2 GLN 24 1HE2 GLN 24 -3.125 13.566 -14.907 130 H LYS 25 H LYS 25 -7.897 14.539 -12.740 131 HA LYS 25 HA LYS 25 -5.455 13.497 -11.617 132 1HB LYS 25 1HB LYS 25 -7.723 15.273 -10.804 133 2HB LYS 25 2HB LYS 25 -6.627 14.702 -9.544 134 1HG LYS 25 1HG LYS 25 -4.717 15.641 -10.681 135 2HG LYS 25 2HG LYS 25 -5.688 16.029 -12.101 136 1HD LYS 25 1HD LYS 25 -6.345 17.983 -11.197 137 2HD LYS 25 2HD LYS 25 -6.877 17.174 -9.722 138 1HE LYS 25 1HE LYS 25 -3.984 17.225 -9.814 139 2HE LYS 25 2HE LYS 25 -4.634 18.867 -9.992 140 1HZ LYS 25 1HZ LYS 25 -5.717 16.966 -7.999 141 2HZ LYS 25 2HZ LYS 25 -4.402 17.978 -7.634 142 3HZ LYS 25 3HZ LYS 25 -5.904 18.651 -8.055 143 H ILE 26 H ILE 26 -8.884 13.043 -10.661 144 HA ILE 26 HA ILE 26 -8.427 11.164 -8.575 145 HB ILE 26 HB ILE 26 -10.734 11.529 -10.515 146 1HG1 ILE 26 1HG1 ILE 26 -10.417 12.558 -7.683 147 2HG1 ILE 26 2HG1 ILE 26 -9.972 13.509 -9.100 148 1HG2 ILE 26 1HG2 ILE 26 -10.666 9.332 -9.220 149 2HG2 ILE 26 2HG2 ILE 26 -10.810 10.297 -7.751 150 3HG2 ILE 26 3HG2 ILE 26 -12.098 10.328 -8.955 151 1HD1 ILE 26 1HD1 ILE 26 -12.697 12.254 -8.956 152 2HD1 ILE 26 2HD1 ILE 26 -12.384 13.758 -8.089 153 3HD1 ILE 26 3HD1 ILE 26 -12.180 13.689 -9.839 154 H HIS 27 H HIS 27 -9.278 10.565 -12.009 155 HA HIS 27 HA HIS 27 -9.130 7.714 -11.888 156 1HB HIS 27 1HB HIS 27 -9.985 9.479 -13.672 157 2HB HIS 27 2HB HIS 27 -8.361 9.282 -14.328 158 HD1 HIS 27 HD1 HIS 27 -8.889 7.855 -16.361 159 HD2 HIS 27 HD2 HIS 27 -10.494 6.285 -12.848 160 HE1 HIS 27 HE1 HIS 27 -9.770 5.553 -16.942 161 H GLU 28 H GLU 28 -6.648 10.190 -12.404 162 HA GLU 28 HA GLU 28 -4.568 8.263 -13.133 163 1HB GLU 28 1HB GLU 28 -4.712 10.643 -13.900 164 2HB GLU 28 2HB GLU 28 -4.411 11.161 -12.241 165 1HG GLU 28 1HG GLU 28 -2.266 11.204 -13.212 166 2HG GLU 28 2HG GLU 28 -2.302 9.648 -12.384 167 H LEU 29 H LEU 29 -5.460 10.111 -10.215 168 HA LEU 29 HA LEU 29 -3.212 9.219 -8.625 169 1HB LEU 29 1HB LEU 29 -5.925 10.441 -8.084 170 2HB LEU 29 2HB LEU 29 -4.803 10.062 -6.777 171 HG LEU 29 HG LEU 29 -3.931 11.693 -9.160 172 1HD1 LEU 29 1HD1 LEU 29 -5.953 12.723 -8.039 173 2HD1 LEU 29 2HD1 LEU 29 -5.007 12.802 -6.553 174 3HD1 LEU 29 3HD1 LEU 29 -4.497 13.716 -7.972 175 1HD2 LEU 29 1HD2 LEU 29 -2.846 10.862 -6.540 176 2HD2 LEU 29 2HD2 LEU 29 -1.996 11.316 -8.017 177 3HD2 LEU 29 3HD2 LEU 29 -2.598 12.565 -6.928 178 H GLU 30 H GLU 30 -6.506 8.009 -9.151 179 HA GLU 30 HA GLU 30 -6.609 6.101 -7.034 180 1HB GLU 30 1HB GLU 30 -8.438 6.955 -8.591 181 2HB GLU 30 2HB GLU 30 -7.802 5.847 -9.807 182 1HG GLU 30 1HG GLU 30 -8.002 4.231 -7.577 183 2HG GLU 30 2HG GLU 30 -9.417 5.273 -7.424 184 H GLY 31 H GLY 31 -5.389 5.819 -10.379 185 1HA GLY 31 2HA GLY 31 -4.286 4.001 -11.421 186 2HA GLY 31 1HA GLY 31 -4.662 3.009 -10.012 187 H LEU 32 H LEU 32 -3.150 6.100 -9.514 188 HA LEU 32 HA LEU 32 -0.395 5.331 -9.695 189 1HB LEU 32 1HB LEU 32 -1.676 7.630 -9.436 190 2HB LEU 32 2HB LEU 32 -1.429 7.338 -7.714 191 HG LEU 32 HG LEU 32 1.044 6.866 -8.388 192 1HD1 LEU 32 1HD1 LEU 32 -0.161 7.979 -10.872 193 2HD1 LEU 32 2HD1 LEU 32 1.425 8.603 -10.416 194 3HD1 LEU 32 3HD1 LEU 32 1.201 6.874 -10.679 195 1HD2 LEU 32 1HD2 LEU 32 -0.433 9.332 -7.863 196 2HD2 LEU 32 2HD2 LEU 32 1.105 8.788 -7.195 197 3HD2 LEU 32 3HD2 LEU 32 1.065 9.633 -8.743 198 H MET 33 H MET 33 -2.837 4.719 -7.281 199 HA MET 33 HA MET 33 -1.152 4.299 -4.996 200 1HB MET 33 1HB MET 33 -3.888 3.473 -5.920 201 2HB MET 33 2HB MET 33 -3.229 2.763 -4.446 202 1HG MET 33 1HG MET 33 -3.474 4.689 -3.276 203 2HG MET 33 2HG MET 33 -2.855 5.671 -4.604 204 1HE MET 33 1HE MET 33 -5.760 4.126 -2.782 205 2HE MET 33 2HE MET 33 -7.151 4.267 -3.853 206 3HE MET 33 3HE MET 33 -5.862 3.131 -4.241 207 H MET 34 H MET 34 -2.633 1.880 -7.200 208 HA MET 34 HA MET 34 -1.377 -0.430 -6.219 209 1HB MET 34 1HB MET 34 -3.035 0.274 -8.289 210 2HB MET 34 2HB MET 34 -1.574 -0.196 -9.158 211 1HG MET 34 1HG MET 34 -2.309 -2.324 -8.922 212 2HG MET 34 2HG MET 34 -1.808 -2.176 -7.238 213 1HE MET 34 1HE MET 34 -2.935 -1.702 -5.442 214 2HE MET 34 2HE MET 34 -4.068 -0.369 -5.660 215 3HE MET 34 3HE MET 34 -4.660 -1.942 -5.129 216 H GLN 35 H GLN 35 -0.089 2.046 -8.405 217 HA GLN 35 HA GLN 35 2.267 0.698 -9.270 218 1HB GLN 35 1HB GLN 35 1.410 2.755 -10.262 219 2HB GLN 35 2HB GLN 35 1.642 3.622 -8.745 220 1HG GLN 35 2HG GLN 35 3.680 4.190 -9.539 221 2HG GLN 35 1HG GLN 35 4.144 2.514 -9.246 222 2HE2 GLN 35 2HE2 GLN 35 2.421 4.430 -11.782 223 1HE2 GLN 35 1HE2 GLN 35 3.102 3.582 -13.086 224 H HIS 36 H HIS 36 2.370 3.413 -6.958 225 HA HIS 36 HA HIS 36 4.852 2.814 -5.801 226 1HB HIS 36 1HB HIS 36 2.339 4.112 -4.720 227 2HB HIS 36 2HB HIS 36 3.880 4.156 -3.865 228 HD1 HIS 36 HD1 HIS 36 5.941 4.860 -5.778 229 HD2 HIS 36 HD2 HIS 36 2.095 6.410 -6.212 230 HE1 HIS 36 HE1 HIS 36 6.159 6.922 -7.231 231 H ALA 37 H ALA 37 1.618 1.729 -4.686 232 HA ALA 37 HA ALA 37 2.372 0.294 -2.371 233 1HB ALA 37 1HB ALA 37 0.274 -0.216 -4.515 234 2HB ALA 37 2HB ALA 37 0.308 -1.058 -2.965 235 3HB ALA 37 3HB ALA 37 0.061 0.687 -3.014 236 H GLN 38 H GLN 38 2.439 -0.672 -5.804 237 HA GLN 38 HA GLN 38 3.236 -3.411 -5.385 238 1HB GLN 38 1HB GLN 38 2.971 -1.435 -7.561 239 2HB GLN 38 2HB GLN 38 4.220 -2.648 -7.849 240 1HG GLN 38 1HG GLN 38 2.704 -4.413 -7.827 241 2HG GLN 38 2HG GLN 38 1.535 -3.532 -6.843 242 2HE2 GLN 38 2HE2 GLN 38 0.349 -4.616 -8.990 243 1HE2 GLN 38 1HE2 GLN 38 0.099 -3.490 -10.235 244 H ASN 39 H ASN 39 4.988 -0.356 -5.686 245 HA ASN 39 HA ASN 39 7.629 -1.666 -5.674 246 1HB ASN 39 1HB ASN 39 6.709 1.225 -5.487 247 2HB ASN 39 2HB ASN 39 8.382 0.712 -5.711 248 2HD2 ASN 39 2HD2 ASN 39 8.061 2.057 -7.810 249 1HD2 ASN 39 1HD2 ASN 39 7.433 1.239 -9.158 250 H LEU 40 H LEU 40 5.374 -1.345 -3.346 251 HA LEU 40 HA LEU 40 5.442 -1.422 -1.020 252 1HB LEU 40 1HB LEU 40 7.931 -2.405 -2.016 253 2HB LEU 40 2HB LEU 40 8.271 -1.444 -0.576 254 HG LEU 40 HG LEU 40 5.991 -3.397 -0.542 255 1HD1 LEU 40 1HD1 LEU 40 8.323 -4.377 -1.352 256 2HD1 LEU 40 2HD1 LEU 40 8.713 -4.261 0.364 257 3HD1 LEU 40 3HD1 LEU 40 7.347 -5.242 -0.165 258 1HD2 LEU 40 1HD2 LEU 40 7.318 -1.643 1.291 259 2HD2 LEU 40 2HD2 LEU 40 5.947 -2.707 1.603 260 3HD2 LEU 40 3HD2 LEU 40 7.592 -3.301 1.827 261 H GLU 41 H GLU 41 6.013 1.169 -2.673 262 HA GLU 41 HA GLU 41 7.604 2.892 -0.990 263 1HB GLU 41 1HB GLU 41 5.384 3.271 -3.017 264 2HB GLU 41 2HB GLU 41 6.143 4.647 -2.215 265 1HG GLU 41 1HG GLU 41 7.768 2.527 -3.630 266 2HG GLU 41 2HG GLU 41 7.142 3.944 -4.475 267 H PHE 42 H PHE 42 4.102 2.373 -1.296 268 HA PHE 42 HA PHE 42 2.342 2.580 0.217 269 1HB PHE 42 1HB PHE 42 4.765 1.914 1.792 270 2HB PHE 42 2HB PHE 42 3.402 2.535 2.720 271 HD1 PHE 42 HD1 PHE 42 1.065 1.532 1.270 272 HD2 PHE 42 HD2 PHE 42 4.823 -0.419 2.115 273 HE1 PHE 42 HE1 PHE 42 -0.055 -0.690 1.118 274 HE2 PHE 42 HE2 PHE 42 3.702 -2.640 1.966 275 HZ PHE 42 HZ PHE 42 1.261 -2.771 1.472 276 H GLU 43 H GLU 43 5.020 4.558 1.604 277 HA GLU 43 HA GLU 43 3.518 6.502 2.909 278 1HB GLU 43 1HB GLU 43 5.951 6.413 2.925 279 2HB GLU 43 2HB GLU 43 6.012 6.757 1.196 280 1HG GLU 43 1HG GLU 43 4.767 8.933 1.749 281 2HG GLU 43 2HG GLU 43 5.172 8.604 3.436 282 H GLU 44 H GLU 44 4.677 6.836 -0.451 283 HA GLU 44 HA GLU 44 2.743 8.965 -1.007 284 1HB GLU 44 2HB GLU 44 3.870 8.984 -3.175 285 2HB GLU 44 1HB GLU 44 5.080 8.845 -1.901 286 1HG GLU 44 1HG GLU 44 5.201 6.415 -2.254 287 2HG GLU 44 2HG GLU 44 3.951 6.523 -3.493 288 H ALA 45 H ALA 45 2.819 5.490 -1.277 289 HA ALA 45 HA ALA 45 0.853 5.317 -3.438 290 1HB ALA 45 1HB ALA 45 1.315 3.049 -1.591 291 2HB ALA 45 3HB ALA 45 2.760 3.698 -2.363 292 3HB ALA 45 2HB ALA 45 1.424 3.104 -3.348 293 H ALA 46 H ALA 46 0.756 4.592 0.072 294 HA ALA 46 HA ALA 46 -2.133 4.174 -0.015 295 1HB ALA 46 1HB ALA 46 -0.267 3.115 1.455 296 2HB ALA 46 3HB ALA 46 -0.459 4.557 2.455 297 3HB ALA 46 2HB ALA 46 -1.825 3.470 2.200 298 H GLN 47 H GLN 47 -0.062 6.926 0.494 299 HA GLN 47 HA GLN 47 -1.891 8.490 2.104 300 1HB GLN 47 1HB GLN 47 0.544 8.937 0.418 301 2HB GLN 47 2HB GLN 47 -0.400 10.345 0.902 302 1HG GLN 47 1HG GLN 47 0.240 8.332 3.011 303 2HG GLN 47 2HG GLN 47 1.550 9.372 2.454 304 2HE2 GLN 47 2HE2 GLN 47 -1.861 10.400 2.544 305 1HE2 GLN 47 1HE2 GLN 47 -1.649 11.565 3.759 306 H ILE 48 H ILE 48 -1.751 7.671 -1.278 307 HA ILE 48 HA ILE 48 -3.181 9.934 -2.344 308 HB ILE 48 HB ILE 48 -2.888 7.047 -3.230 309 1HG1 ILE 48 1HG1 ILE 48 -1.454 9.504 -4.257 310 2HG1 ILE 48 2HG1 ILE 48 -0.821 8.541 -2.922 311 1HG2 ILE 48 1HG2 ILE 48 -4.817 8.170 -4.313 312 2HG2 ILE 48 2HG2 ILE 48 -3.756 9.487 -4.811 313 3HG2 ILE 48 3HG2 ILE 48 -3.515 7.866 -5.462 314 1HD1 ILE 48 1HD1 ILE 48 -1.615 7.253 -5.531 315 2HD1 ILE 48 2HD1 ILE 48 -0.013 7.957 -5.313 316 3HD1 ILE 48 3HD1 ILE 48 -0.540 6.628 -4.280 317 H ARG 49 H ARG 49 -4.225 6.985 -0.714 318 HA ARG 49 HA ARG 49 -6.908 6.795 -1.549 319 1HB ARG 49 2HB ARG 49 -7.232 5.665 0.598 320 2HB ARG 49 1HB ARG 49 -5.645 5.244 -0.045 321 1HG ARG 49 2HG ARG 49 -4.952 5.827 2.054 322 2HG ARG 49 1HG ARG 49 -4.996 7.455 1.380 323 1HD ARG 49 1HD ARG 49 -7.480 7.490 2.141 324 2HD ARG 49 2HD ARG 49 -7.029 6.109 3.160 325 HE ARG 49 HE ARG 49 -5.170 8.373 3.316 326 1HH1 ARG 49 1HH1 ARG 49 -8.357 7.736 4.252 327 2HH1 ARG 49 2HH1 ARG 49 -8.107 8.078 5.932 328 1HH2 ARG 49 1HH2 ARG 49 -4.671 8.428 5.619 329 2HH2 ARG 49 2HH2 ARG 49 -6.019 8.469 6.705 330 H ASP 50 H ASP 50 -5.388 9.167 0.544 331 HA ASP 50 HA ASP 50 -7.900 10.223 1.613 332 1HB ASP 50 1HB ASP 50 -5.222 10.290 2.273 333 2HB ASP 50 2HB ASP 50 -5.485 11.912 1.630 334 H GLN 51 H GLN 51 -5.642 11.055 -1.002 335 HA GLN 51 HA GLN 51 -6.953 13.557 -1.692 336 1HB GLN 51 2HB GLN 51 -5.123 11.720 -3.275 337 2HB GLN 51 1HB GLN 51 -5.436 13.421 -3.626 338 1HG GLN 51 1HG GLN 51 -4.401 14.115 -1.561 339 2HG GLN 51 2HG GLN 51 -4.276 12.446 -1.003 340 2HE2 GLN 51 2HE2 GLN 51 -3.440 14.005 -4.154 341 1HE2 GLN 51 1HE2 GLN 51 -1.842 13.432 -4.176 342 H LEU 52 H LEU 52 -7.259 10.184 -2.714 343 HA LEU 52 HA LEU 52 -8.898 10.665 -5.039 344 1HB LEU 52 1HB LEU 52 -7.736 8.503 -3.568 345 2HB LEU 52 2HB LEU 52 -9.447 8.142 -3.799 346 HG LEU 52 HG LEU 52 -8.088 7.302 -5.689 347 1HD1 LEU 52 1HD1 LEU 52 -10.060 9.535 -6.118 348 2HD1 LEU 52 2HD1 LEU 52 -9.308 8.740 -7.499 349 3HD1 LEU 52 3HD1 LEU 52 -10.278 7.803 -6.363 350 1HD2 LEU 52 1HD2 LEU 52 -6.943 9.973 -5.446 351 2HD2 LEU 52 2HD2 LEU 52 -6.308 8.561 -6.289 352 3HD2 LEU 52 3HD2 LEU 52 -7.449 9.632 -7.100 353 H HIS 53 H HIS 53 -9.729 9.633 -1.705 354 HA HIS 53 HA HIS 53 -12.581 9.750 -2.107 355 1HB HIS 53 1HB HIS 53 -10.687 9.704 0.241 356 2HB HIS 53 2HB HIS 53 -12.427 9.838 0.494 357 HD1 HIS 53 HD1 HIS 53 -13.470 7.968 -1.693 358 HD2 HIS 53 HD2 HIS 53 -10.248 7.011 0.774 359 HE1 HIS 53 HE1 HIS 53 -13.286 5.442 -1.702 360 H GLN 54 H GLN 54 -10.185 12.083 -0.898 361 HA GLN 54 HA GLN 54 -12.103 14.085 -0.074 362 1HB GLN 54 1HB GLN 54 -9.691 13.812 0.641 363 2HB GLN 54 2HB GLN 54 -9.217 14.409 -0.951 364 1HG GLN 54 1HG GLN 54 -10.299 16.528 -0.562 365 2HG GLN 54 2HG GLN 54 -11.035 15.936 0.928 366 2HE2 GLN 54 2HE2 GLN 54 -8.989 14.757 2.309 367 1HE2 GLN 54 1HE2 GLN 54 -7.721 15.850 2.584 368 H LEU 55 H LEU 55 -10.199 13.577 -3.053 369 HA LEU 55 HA LEU 55 -10.892 15.946 -4.438 370 1HB LEU 55 1HB LEU 55 -10.086 13.145 -5.112 371 2HB LEU 55 2HB LEU 55 -10.657 14.171 -6.429 372 HG LEU 55 HG LEU 55 -8.624 15.254 -4.503 373 1HD1 LEU 55 1HD1 LEU 55 -8.244 12.934 -6.175 374 2HD1 LEU 55 2HD1 LEU 55 -7.260 14.267 -6.780 375 3HD1 LEU 55 3HD1 LEU 55 -7.084 13.728 -5.110 376 1HD2 LEU 55 1HD2 LEU 55 -9.704 16.713 -6.197 377 2HD2 LEU 55 2HD2 LEU 55 -7.973 16.545 -6.493 378 3HD2 LEU 55 3HD2 LEU 55 -9.128 15.640 -7.472 379 H ARG 56 H ARG 56 -12.728 12.971 -3.926 380 HA ARG 56 HA ARG 56 -14.739 13.247 -5.895 381 1HB ARG 56 1HB ARG 56 -14.433 11.282 -4.473 382 2HB ARG 56 2HB ARG 56 -14.840 12.225 -3.039 383 1HG ARG 56 1HG ARG 56 -16.972 12.660 -4.804 384 2HG ARG 56 2HG ARG 56 -16.613 10.939 -4.949 385 1HD ARG 56 1HD ARG 56 -16.447 11.370 -2.210 386 2HD ARG 56 2HD ARG 56 -17.816 12.386 -2.704 387 HE ARG 56 HE ARG 56 -18.013 9.888 -4.066 388 1HH1 ARG 56 1HH1 ARG 56 -17.209 9.295 -1.106 389 2HH1 ARG 56 2HH1 ARG 56 -18.774 8.987 -0.432 390 1HH2 ARG 56 1HH2 ARG 56 -20.492 10.341 -3.122 391 2HH2 ARG 56 2HH2 ARG 56 -20.634 9.579 -1.573 392 H GLU 57 H GLU 57 -14.827 14.412 -2.501 393 HA GLU 57 HA GLU 57 -17.294 15.787 -2.619 394 1HB GLU 57 2HB GLU 57 -14.762 16.540 -1.118 395 2HB GLU 57 1HB GLU 57 -16.412 16.970 -0.663 396 1HG GLU 57 1HG GLU 57 -16.822 14.384 -0.716 397 2HG GLU 57 2HG GLU 57 -15.068 14.283 -0.571 398 H LEU 58 H LEU 58 -14.006 16.977 -3.362 399 HA LEU 58 HA LEU 58 -14.654 19.680 -3.926 400 1HB LEU 58 1HB LEU 58 -12.573 17.747 -4.972 401 2HB LEU 58 2HB LEU 58 -12.558 19.462 -5.383 402 HG LEU 58 HG LEU 58 -12.484 18.328 -2.571 403 1HD1 LEU 58 1HD1 LEU 58 -10.416 18.278 -4.261 404 2HD1 LEU 58 2HD1 LEU 58 -10.293 19.968 -3.770 405 3HD1 LEU 58 3HD1 LEU 58 -10.202 18.688 -2.559 406 1HD2 LEU 58 1HD2 LEU 58 -13.051 20.981 -3.675 407 2HD2 LEU 58 2HD2 LEU 58 -13.280 20.379 -2.033 408 3HD2 LEU 58 3HD2 LEU 58 -11.705 20.996 -2.534 409 H PHE 59 H PHE 59 -15.231 16.771 -5.780 410 HA PHE 59 HA PHE 59 -15.435 17.736 -8.414 411 1HB PHE 59 1HB PHE 59 -15.656 15.381 -7.619 412 2HB PHE 59 2HB PHE 59 -17.245 15.777 -6.963 413 HD1 PHE 59 HD1 PHE 59 -19.130 16.387 -8.474 414 HD2 PHE 59 HD2 PHE 59 -15.302 15.102 -10.003 415 HE1 PHE 59 HE1 PHE 59 -20.156 15.990 -10.711 416 HE2 PHE 59 HE2 PHE 59 -16.328 14.705 -12.239 417 HZ PHE 59 HZ PHE 59 -18.755 15.149 -12.593 418 H ILE 60 H ILE 60 -17.796 17.955 -5.758 419 HA ILE 60 HA ILE 60 -19.852 19.206 -7.412 420 HB ILE 60 HB ILE 60 -19.439 18.911 -4.419 421 1HG1 ILE 60 1HG1 ILE 60 -19.638 16.778 -5.643 422 2HG1 ILE 60 2HG1 ILE 60 -21.081 17.072 -4.671 423 1HG2 ILE 60 1HG2 ILE 60 -21.392 20.407 -5.956 424 2HG2 ILE 60 2HG2 ILE 60 -22.175 19.124 -5.032 425 3HG2 ILE 60 3HG2 ILE 60 -21.181 20.326 -4.207 426 1HD1 ILE 60 1HD1 ILE 60 -21.745 18.310 -7.027 427 2HD1 ILE 60 2HD1 ILE 60 -20.782 16.948 -7.602 428 3HD1 ILE 60 3HD1 ILE 60 -22.207 16.663 -6.602 429 H ALA 61 H ALA 61 -17.359 20.326 -5.138 430 HA ALA 61 HA ALA 61 -18.184 23.053 -4.936 431 1HB ALA 61 1HB ALA 61 -15.935 23.366 -4.082 432 2HB ALA 61 2HB ALA 61 -16.491 21.777 -3.556 433 3HB ALA 61 3HB ALA 61 -15.371 21.915 -4.912 434 H ALA 62 H ALA 62 -16.581 21.292 -7.492 435 HA ALA 62 HA ALA 62 -15.862 23.834 -8.887 436 1HB ALA 62 1HB ALA 62 -14.743 21.201 -8.596 437 2HB ALA 62 3HB ALA 62 -14.038 22.605 -9.397 438 3HB ALA 62 2HB ALA 62 -15.065 21.495 -10.305 439 H SER 63 H SER 63 -17.091 20.632 -9.938 440 HA SER 63 HA SER 63 -19.000 22.083 -11.744 441 1HB SER 63 1HB SER 63 -17.257 19.650 -12.045 442 2HB SER 63 2HB SER 63 -18.701 19.817 -13.038 443 HG SER 63 HG SER 63 -16.639 21.757 -12.781 444 H LEU 8 H LEU 8 22.723 -26.562 -5.743 445 HA LEU 8 HA LEU 8 21.627 -28.849 -7.051 446 1HB LEU 8 1HB LEU 8 24.052 -27.715 -8.174 447 2HB LEU 8 2HB LEU 8 24.338 -29.366 -7.623 448 HG LEU 8 HG LEU 8 23.545 -29.335 -9.963 449 1HD1 LEU 8 1HD1 LEU 8 22.129 -30.641 -7.734 450 2HD1 LEU 8 2HD1 LEU 8 21.200 -30.575 -9.233 451 3HD1 LEU 8 3HD1 LEU 8 22.788 -31.341 -9.212 452 1HD2 LEU 8 1HD2 LEU 8 21.738 -27.376 -8.876 453 2HD2 LEU 8 2HD2 LEU 8 21.984 -27.825 -10.563 454 3HD2 LEU 8 3HD2 LEU 8 20.801 -28.692 -9.583 455 H GLU 9 H GLU 9 21.621 -30.418 -5.483 456 HA GLU 9 HA GLU 9 22.168 -31.543 -3.476 457 1HB GLU 9 1HB GLU 9 24.180 -31.778 -5.162 458 2HB GLU 9 2HB GLU 9 25.009 -30.721 -4.019 459 1HG GLU 9 1HG GLU 9 24.537 -32.289 -2.191 460 2HG GLU 9 2HG GLU 9 23.653 -33.338 -3.301 461 HA PRO 10 HA PRO 10 22.602 -27.527 -1.219 462 1HB PRO 10 1HB PRO 10 20.402 -27.870 0.372 463 2HB PRO 10 2HB PRO 10 20.320 -27.149 -1.248 464 1HG PRO 10 2HG PRO 10 19.650 -29.911 -0.370 465 2HG PRO 10 1HG PRO 10 18.847 -28.879 -1.564 466 1HD PRO 10 1HD PRO 10 20.542 -30.920 -2.217 467 2HD PRO 10 2HD PRO 10 20.272 -29.494 -3.243 468 H ASP 11 H ASP 11 21.433 -30.595 0.224 469 HA ASP 11 HA ASP 11 22.219 -31.820 2.080 470 1HB ASP 11 1HB ASP 11 24.465 -30.603 0.734 471 2HB ASP 11 2HB ASP 11 24.780 -30.664 2.468 472 H ASN 12 H ASN 12 24.085 -28.868 2.736 473 HA ASN 12 HA ASN 12 22.245 -28.249 5.013 474 1HB ASN 12 1HB ASN 12 24.308 -27.960 6.409 475 2HB ASN 12 2HB ASN 12 24.095 -29.618 5.843 476 2HD2 ASN 12 2HD2 ASN 12 25.869 -26.587 5.099 477 1HD2 ASN 12 1HD2 ASN 12 27.157 -27.355 4.304 478 H VAL 13 H VAL 13 22.882 -27.013 2.298 479 HA VAL 13 HA VAL 13 24.418 -24.615 2.721 480 HB VAL 13 HB VAL 13 22.541 -25.774 0.699 481 1HG1 VAL 13 1HG1 VAL 13 23.263 -22.840 0.862 482 2HG1 VAL 13 2HG1 VAL 13 22.885 -23.622 -0.673 483 3HG1 VAL 13 3HG1 VAL 13 21.671 -23.556 0.606 484 1HG2 VAL 13 1HG2 VAL 13 25.387 -25.014 0.980 485 2HG2 VAL 13 2HG2 VAL 13 24.660 -26.365 0.110 486 3HG2 VAL 13 3HG2 VAL 13 24.688 -24.760 -0.619 487 HA PRO 14 HA PRO 14 20.252 -22.403 3.414 488 1HB PRO 14 1HB PRO 14 17.957 -23.884 3.530 489 2HB PRO 14 2HB PRO 14 18.605 -23.233 2.012 490 1HG PRO 14 2HG PRO 14 18.768 -25.990 3.106 491 2HG PRO 14 1HG PRO 14 18.566 -25.447 1.435 492 1HD PRO 14 1HD PRO 14 20.938 -26.328 2.478 493 2HD PRO 14 2HD PRO 14 20.800 -25.211 1.105 494 H MET 15 H MET 15 20.006 -25.717 4.734 495 HA MET 15 HA MET 15 19.771 -26.467 6.959 496 1HB MET 15 1HB MET 15 21.934 -24.893 6.732 497 2HB MET 15 2HB MET 15 21.021 -23.919 7.884 498 1HG MET 15 1HG MET 15 20.717 -26.460 8.906 499 2HG MET 15 2HG MET 15 22.363 -26.506 8.273 500 1HE MET 15 1HE MET 15 21.249 -26.963 10.856 501 2HE MET 15 2HE MET 15 22.608 -26.411 11.832 502 3HE MET 15 3HE MET 15 21.030 -25.649 12.020 503 H ASP 16 H ASP 16 19.536 -24.677 9.287 504 HA ASP 16 HA ASP 16 16.932 -23.307 8.756 505 1HB ASP 16 1HB ASP 16 17.496 -25.754 10.257 506 2HB ASP 16 2HB ASP 16 16.658 -24.549 11.236 507 H MET 17 H MET 17 19.319 -21.918 9.076 508 HA MET 17 HA MET 17 20.176 -21.263 11.680 509 1HB MET 17 1HB MET 17 20.875 -19.140 10.600 510 2HB MET 17 2HB MET 17 21.217 -20.528 9.566 511 1HG MET 17 1HG MET 17 19.018 -20.107 8.408 512 2HG MET 17 2HG MET 17 18.878 -18.615 9.337 513 1HE MET 17 1HE MET 17 20.254 -20.705 6.906 514 2HE MET 17 2HE MET 17 20.193 -19.528 5.597 515 3HE MET 17 3HE MET 17 21.750 -20.022 6.256 516 H SER 18 H SER 18 17.412 -19.971 9.830 517 HA SER 18 HA SER 18 16.644 -17.959 11.730 518 1HB SER 18 1HB SER 18 14.838 -19.517 9.868 519 2HB SER 18 2HB SER 18 14.668 -17.840 10.383 520 HG SER 18 HG SER 18 15.855 -18.688 8.240 521 HA PRO 19 HA PRO 19 14.613 -20.496 14.706 522 1HB PRO 19 1HB PRO 19 12.931 -18.663 15.832 523 2HB PRO 19 2HB PRO 19 14.686 -18.650 16.079 524 1HG PRO 19 1HG PRO 19 13.013 -16.862 14.471 525 2HG PRO 19 2HG PRO 19 14.619 -16.594 15.154 526 1HD PRO 19 1HD PRO 19 13.955 -17.243 12.459 527 2HD PRO 19 2HD PRO 19 15.573 -17.056 13.168 528 H LYS 20 H LYS 20 13.248 -20.111 11.910 529 HA LYS 20 HA LYS 20 11.300 -20.962 10.895 530 1HB LYS 20 1HB LYS 20 11.849 -22.685 12.758 531 2HB LYS 20 2HB LYS 20 10.509 -21.948 13.635 532 1HG LYS 20 1HG LYS 20 9.996 -22.645 10.792 533 2HG LYS 20 2HG LYS 20 10.168 -23.997 11.911 534 1HD LYS 20 1HD LYS 20 8.560 -22.151 13.273 535 2HD LYS 20 2HD LYS 20 7.957 -22.134 11.615 536 1HE LYS 20 1HE LYS 20 8.077 -24.745 11.798 537 2HE LYS 20 2HE LYS 20 8.083 -24.443 13.547 538 1HZ LYS 20 1HZ LYS 20 6.181 -22.846 13.048 539 2HZ LYS 20 2HZ LYS 20 6.056 -23.632 11.551 540 3HZ LYS 20 3HZ LYS 20 5.830 -24.507 12.990 541 H ALA 21 H ALA 21 10.133 -20.128 14.187 542 HA ALA 21 HA ALA 21 7.629 -19.114 13.548 543 1HB ALA 21 1HB ALA 21 9.642 -18.804 15.659 544 2HB ALA 21 3HB ALA 21 7.901 -19.044 15.801 545 3HB ALA 21 2HB ALA 21 8.550 -17.425 15.540 546 H LEU 22 H LEU 22 10.684 -17.255 13.556 547 HA LEU 22 HA LEU 22 9.381 -14.829 12.545 548 1HB LEU 22 1HB LEU 22 12.196 -15.759 13.129 549 2HB LEU 22 2HB LEU 22 11.899 -14.205 12.351 550 HG LEU 22 HG LEU 22 10.363 -13.621 14.256 551 1HD1 LEU 22 1HD1 LEU 22 11.285 -16.340 15.100 552 2HD1 LEU 22 2HD1 LEU 22 10.997 -15.129 16.347 553 3HD1 LEU 22 3HD1 LEU 22 9.694 -15.603 15.258 554 1HD2 LEU 22 1HD2 LEU 22 13.300 -14.112 14.514 555 2HD2 LEU 22 2HD2 LEU 22 12.409 -12.592 14.567 556 3HD2 LEU 22 3HD2 LEU 22 12.420 -13.657 15.973 557 H GLN 23 H GLN 23 11.551 -17.339 11.297 558 HA GLN 23 HA GLN 23 12.043 -16.386 8.698 559 1HB GLN 23 1HB GLN 23 12.858 -18.482 9.956 560 2HB GLN 23 2HB GLN 23 11.387 -19.260 9.372 561 1HG GLN 23 1HG GLN 23 12.047 -18.630 7.037 562 2HG GLN 23 2HG GLN 23 13.574 -18.023 7.677 563 2HE2 GLN 23 2HE2 GLN 23 11.592 -21.030 8.046 564 1HE2 GLN 23 1HE2 GLN 23 12.915 -22.086 7.916 565 H GLN 24 H GLN 24 9.333 -18.523 9.694 566 HA GLN 24 HA GLN 24 8.001 -18.376 7.129 567 1HB GLN 24 1HB GLN 24 7.824 -20.174 8.896 568 2HB GLN 24 2HB GLN 24 6.880 -19.046 9.867 569 1HG GLN 24 1HG GLN 24 5.917 -19.229 7.110 570 2HG GLN 24 2HG GLN 24 5.854 -20.777 7.954 571 2HE2 GLN 24 2HE2 GLN 24 3.835 -18.355 7.271 572 1HE2 GLN 24 1HE2 GLN 24 2.935 -18.258 8.707 573 H LYS 25 H LYS 25 7.772 -16.541 10.149 574 HA LYS 25 HA LYS 25 5.340 -15.126 9.526 575 1HB LYS 25 1HB LYS 25 7.657 -14.892 11.409 576 2HB LYS 25 2HB LYS 25 6.580 -13.504 11.247 577 1HG LYS 25 1HG LYS 25 4.660 -14.828 11.865 578 2HG LYS 25 2HG LYS 25 5.605 -16.316 11.809 579 1HD LYS 25 1HD LYS 25 6.315 -16.020 13.925 580 2HD LYS 25 2HD LYS 25 6.867 -14.385 13.558 581 1HE LYS 25 1HE LYS 25 3.974 -14.437 13.646 582 2HE LYS 25 2HE LYS 25 4.648 -15.086 15.155 583 1HZ LYS 25 1HZ LYS 25 5.745 -12.654 13.877 584 2HZ LYS 25 2HZ LYS 25 4.455 -12.570 14.981 585 3HZ LYS 25 3HZ LYS 25 5.959 -13.192 15.471 586 H ILE 26 H ILE 26 8.782 -14.140 9.287 587 HA ILE 26 HA ILE 26 8.343 -11.596 8.092 588 HB ILE 26 HB ILE 26 10.610 -13.599 7.837 589 1HG1 ILE 26 1HG1 ILE 26 10.377 -11.174 9.637 590 2HG1 ILE 26 2HG1 ILE 26 9.915 -12.796 10.153 591 1HG2 ILE 26 1HG2 ILE 26 10.535 -11.730 6.102 592 2HG2 ILE 26 2HG2 ILE 26 10.729 -10.600 7.442 593 3HG2 ILE 26 3HG2 ILE 26 11.989 -11.785 7.098 594 1HD1 ILE 26 1HD1 ILE 26 12.621 -12.347 8.930 595 2HD1 ILE 26 2HD1 ILE 26 12.352 -11.940 10.625 596 3HD1 ILE 26 3HD1 ILE 26 12.107 -13.595 10.066 597 H HIS 27 H HIS 27 9.105 -14.729 6.519 598 HA HIS 27 HA HIS 27 8.910 -13.797 3.826 599 1HB HIS 27 1HB HIS 27 9.754 -16.026 4.988 600 2HB HIS 27 2HB HIS 27 8.111 -16.570 4.650 601 HD1 HIS 27 HD1 HIS 27 8.568 -18.119 2.690 602 HD2 HIS 27 HD2 HIS 27 10.228 -14.333 2.151 603 HE1 HIS 27 HE1 HIS 27 9.396 -18.034 0.298 604 H GLU 28 H GLU 28 6.460 -14.956 6.106 605 HA GLU 28 HA GLU 28 4.331 -15.067 4.099 606 1HB GLU 28 1HB GLU 28 4.497 -16.484 6.158 607 2HB GLU 28 2HB GLU 28 4.243 -15.037 7.134 608 1HG GLU 28 2HG GLU 28 2.077 -15.943 6.949 609 2HG GLU 28 1HG GLU 28 2.107 -14.705 5.692 610 H LEU 29 H LEU 29 5.320 -12.815 6.684 611 HA LEU 29 HA LEU 29 3.096 -10.998 6.331 612 1HB LEU 29 1HB LEU 29 5.840 -10.875 7.595 613 2HB LEU 29 2HB LEU 29 4.743 -9.495 7.630 614 HG LEU 29 HG LEU 29 3.845 -12.229 8.534 615 1HD1 LEU 29 1HD1 LEU 29 5.908 -11.484 9.794 616 2HD1 LEU 29 2HD1 LEU 29 4.998 -10.066 10.315 617 3HD1 LEU 29 3HD1 LEU 29 4.471 -11.678 10.797 618 1HD2 LEU 29 1HD2 LEU 29 2.806 -9.463 8.509 619 2HD2 LEU 29 2HD2 LEU 29 1.929 -10.993 8.542 620 3HD2 LEU 29 3HD2 LEU 29 2.578 -10.316 10.036 621 H GLU 30 H GLU 30 6.356 -11.213 4.947 622 HA GLU 30 HA GLU 30 6.476 -8.641 3.721 623 1HB GLU 30 1HB GLU 30 8.283 -10.409 4.053 624 2HB GLU 30 2HB GLU 30 7.600 -11.247 2.659 625 1HG GLU 30 1HG GLU 30 7.825 -8.652 1.743 626 2HG GLU 30 2HG GLU 30 9.261 -8.828 2.753 627 H GLY 31 H GLY 31 5.174 -11.744 2.524 628 1HA GLY 31 2HA GLY 31 4.017 -12.205 0.510 629 2HA GLY 31 1HA GLY 31 4.408 -10.578 -0.046 630 H LEU 32 H LEU 32 2.961 -10.957 3.091 631 HA LEU 32 HA LEU 32 0.191 -10.862 2.365 632 1HB LEU 32 1HB LEU 32 1.516 -11.293 4.613 633 2HB LEU 32 2HB LEU 32 1.303 -9.555 4.830 634 HG LEU 32 HG LEU 32 -1.192 -10.023 4.242 635 1HD1 LEU 32 1HD1 LEU 32 -0.027 -12.742 4.572 636 2HD1 LEU 32 2HD1 LEU 32 -1.590 -12.457 5.336 637 3HD1 LEU 32 3HD1 LEU 32 -1.402 -12.219 3.599 638 1HD2 LEU 32 1HD2 LEU 32 0.339 -10.251 6.721 639 2HD2 LEU 32 2HD2 LEU 32 -1.194 -9.429 6.425 640 3HD2 LEU 32 3HD2 LEU 32 -1.175 -11.154 6.792 641 H MET 33 H MET 33 2.677 -8.417 2.412 642 HA MET 33 HA MET 33 1.038 -6.078 2.700 643 1HB MET 33 1HB MET 33 3.738 -6.776 1.582 644 2HB MET 33 2HB MET 33 3.102 -5.149 1.337 645 1HG MET 33 1HG MET 33 3.406 -4.582 3.510 646 2HG MET 33 2HG MET 33 2.774 -6.124 4.087 647 1HE MET 33 1HE MET 33 5.691 -3.984 3.059 648 2HE MET 33 2HE MET 33 7.061 -5.076 2.858 649 3HE MET 33 3HE MET 33 5.743 -5.101 1.687 650 H MET 34 H MET 34 2.428 -7.526 -0.281 651 HA MET 34 HA MET 34 1.155 -5.904 -2.186 652 1HB MET 34 1HB MET 34 2.777 -8.117 -2.139 653 2HB MET 34 2HB MET 34 1.288 -8.790 -2.804 654 1HG MET 34 1HG MET 34 1.994 -7.969 -4.792 655 2HG MET 34 2HG MET 34 1.533 -6.389 -4.160 656 1HE MET 34 1HE MET 34 2.710 -4.824 -3.217 657 2HE MET 34 2HE MET 34 3.860 -5.432 -2.029 658 3HE MET 34 3HE MET 34 4.437 -4.485 -3.398 659 H GLN 35 H GLN 35 -0.141 -8.684 -0.408 660 HA GLN 35 HA GLN 35 -2.538 -9.086 -1.893 661 1HB GLN 35 1HB GLN 35 -1.671 -10.639 -0.224 662 2HB GLN 35 2HB GLN 35 -1.853 -9.429 1.045 663 1HG GLN 35 2HG GLN 35 -3.899 -10.317 1.409 664 2HG GLN 35 1HG GLN 35 -4.383 -9.548 -0.103 665 2HE2 GLN 35 2HE2 GLN 35 -2.689 -12.557 0.970 666 1HE2 GLN 35 1HE2 GLN 35 -3.413 -13.552 -0.198 667 H HIS 36 H HIS 36 -2.542 -7.644 1.371 668 HA HIS 36 HA HIS 36 -5.007 -6.322 1.183 669 1HB HIS 36 1HB HIS 36 -2.448 -5.701 2.679 670 2HB HIS 36 2HB HIS 36 -3.968 -4.866 3.000 671 HD1 HIS 36 HD1 HIS 36 -6.060 -6.864 3.175 672 HD2 HIS 36 HD2 HIS 36 -2.201 -7.791 4.449 673 HE1 HIS 36 HE1 HIS 36 -6.278 -8.842 4.742 674 H ALA 37 H ALA 37 -1.766 -4.999 0.389 675 HA ALA 37 HA ALA 37 -2.490 -2.359 -0.310 676 1HB ALA 37 1HB ALA 37 -0.189 -3.128 -0.169 677 2HB ALA 37 3HB ALA 37 -0.452 -4.304 -1.456 678 3HB ALA 37 2HB ALA 37 -0.463 -2.578 -1.821 679 H GLN 38 H GLN 38 -2.654 -5.372 -2.213 680 HA GLN 38 HA GLN 38 -3.486 -4.173 -4.699 681 1HB GLN 38 1HB GLN 38 -3.239 -6.827 -3.433 682 2HB GLN 38 2HB GLN 38 -4.514 -6.734 -4.649 683 1HG GLN 38 1HG GLN 38 -3.028 -6.236 -6.368 684 2HG GLN 38 2HG GLN 38 -1.822 -5.566 -5.269 685 2HE2 GLN 38 2HE2 GLN 38 -0.704 -7.334 -6.948 686 1HE2 GLN 38 1HE2 GLN 38 -0.465 -8.852 -6.230 687 H ASN 39 H ASN 39 -5.193 -5.304 -1.818 688 HA ASN 39 HA ASN 39 -7.855 -4.873 -3.010 689 1HB ASN 39 1HB ASN 39 -6.883 -5.534 -0.208 690 2HB ASN 39 2HB ASN 39 -8.569 -5.573 -0.724 691 2HD2 ASN 39 2HD2 ASN 39 -8.274 -7.974 -0.043 692 1HD2 ASN 39 1HD2 ASN 39 -7.691 -9.044 -1.225 693 H LEU 40 H LEU 40 -5.541 -2.773 -2.090 694 HA LEU 40 HA LEU 40 -5.558 -0.521 -1.499 695 1HB LEU 40 1HB LEU 40 -8.084 -1.151 -2.669 696 2HB LEU 40 2HB LEU 40 -8.375 -0.040 -1.329 697 HG LEU 40 HG LEU 40 -6.127 0.512 -3.241 698 1HD1 LEU 40 1HD1 LEU 40 -8.494 0.057 -4.359 699 2HD1 LEU 40 2HD1 LEU 40 -8.842 1.674 -3.750 700 3HD1 LEU 40 3HD1 LEU 40 -7.505 1.424 -4.872 701 1HD2 LEU 40 1HD2 LEU 40 -7.383 1.788 -1.007 702 2HD2 LEU 40 2HD2 LEU 40 -6.023 2.368 -1.970 703 3HD2 LEU 40 3HD2 LEU 40 -7.672 2.781 -2.437 704 H GLU 41 H GLU 41 -6.122 -2.834 0.526 705 HA GLU 41 HA GLU 41 -7.644 -1.687 2.692 706 1HB GLU 41 1HB GLU 41 -5.467 -3.776 2.427 707 2HB GLU 41 2HB GLU 41 -6.184 -3.388 3.991 708 1HG GLU 41 1HG GLU 41 -7.875 -4.109 1.594 709 2HG GLU 41 2HG GLU 41 -7.246 -5.335 2.697 710 H PHE 42 H PHE 42 -4.161 -1.892 2.029 711 HA PHE 42 HA PHE 42 -2.363 -0.532 2.619 712 1HB PHE 42 1HB PHE 42 -4.759 1.208 2.485 713 2HB PHE 42 2HB PHE 42 -3.365 1.898 3.313 714 HD1 PHE 42 HD1 PHE 42 -1.079 0.754 1.887 715 HD2 PHE 42 HD2 PHE 42 -4.848 2.186 0.343 716 HE1 PHE 42 HE1 PHE 42 0.000 1.226 -0.310 717 HE2 PHE 42 HE2 PHE 42 -3.767 2.659 -1.854 718 HZ PHE 42 HZ PHE 42 -1.342 2.181 -2.174 719 H GLU 43 H GLU 43 -4.973 0.279 4.971 720 HA GLU 43 HA GLU 43 -3.409 0.948 7.171 721 1HB GLU 43 1HB GLU 43 -5.842 1.031 7.145 722 2HB GLU 43 2HB GLU 43 -5.938 -0.722 6.984 723 1HG GLU 43 1HG GLU 43 -4.644 -0.836 9.198 724 2HG GLU 43 2HG GLU 43 -5.015 0.881 9.373 725 H GLU 44 H GLU 44 -4.641 -2.347 6.559 726 HA GLU 44 HA GLU 44 -2.684 -3.522 8.398 727 1HB GLU 44 2HB GLU 44 -3.861 -5.585 7.823 728 2HB GLU 44 1HB GLU 44 -5.043 -4.304 8.080 729 1HG GLU 44 1HG GLU 44 -5.213 -3.945 5.654 730 2HG GLU 44 2HG GLU 44 -3.991 -5.185 5.374 731 H ALA 45 H ALA 45 -2.825 -2.786 4.991 732 HA ALA 45 HA ALA 45 -0.913 -4.841 4.165 733 1HB ALA 45 1HB ALA 45 -1.369 -2.416 2.529 734 2HB ALA 45 2HB ALA 45 -2.821 -3.317 2.964 735 3HB ALA 45 3HB ALA 45 -1.518 -4.114 2.083 736 H ALA 46 H ALA 46 -0.746 -1.273 4.471 737 HA ALA 46 HA ALA 46 2.132 -1.287 3.978 738 1HB ALA 46 1HB ALA 46 1.864 1.042 3.943 739 2HB ALA 46 3HB ALA 46 0.282 0.457 3.426 740 3HB ALA 46 2HB ALA 46 0.522 0.999 5.089 741 H GLN 47 H GLN 47 0.121 -1.550 6.808 742 HA GLN 47 HA GLN 47 2.012 -0.485 8.724 743 1HB GLN 47 1HB GLN 47 -0.453 -2.186 8.727 744 2HB GLN 47 2HB GLN 47 0.525 -2.141 10.192 745 1HG GLN 47 1HG GLN 47 -0.099 0.466 8.879 746 2HG GLN 47 2HG GLN 47 -1.404 -0.342 9.747 747 2HE2 GLN 47 2HE2 GLN 47 2.024 -0.609 10.680 748 1HE2 GLN 47 1HE2 GLN 47 1.860 0.226 12.147 749 H ILE 48 H ILE 48 1.780 -3.490 6.977 750 HA ILE 48 HA ILE 48 3.222 -5.183 8.809 751 HB ILE 48 HB ILE 48 2.860 -5.202 5.796 752 1HG1 ILE 48 1HG1 ILE 48 1.445 -6.863 7.892 753 2HG1 ILE 48 2HG1 ILE 48 0.826 -5.298 7.363 754 1HG2 ILE 48 1HG2 ILE 48 4.782 -6.593 6.521 755 2HG2 ILE 48 2HG2 ILE 48 3.732 -7.429 7.664 756 3HG2 ILE 48 3HG2 ILE 48 3.449 -7.586 5.931 757 1HD1 ILE 48 1HD1 ILE 48 1.539 -7.443 5.366 758 2HD1 ILE 48 2HD1 ILE 48 -0.046 -7.408 6.139 759 3HD1 ILE 48 3HD1 ILE 48 0.483 -6.047 5.150 760 H ARG 49 H ARG 49 4.254 -2.797 6.425 761 HA ARG 49 HA ARG 49 6.913 -3.590 5.943 762 1HB ARG 49 2HB ARG 49 7.269 -1.215 5.465 763 2HB ARG 49 1HB ARG 49 5.661 -1.684 4.915 764 1HG ARG 49 2HG ARG 49 5.026 0.174 6.088 765 2HG ARG 49 1HG ARG 49 5.082 -0.938 7.455 766 1HD ARG 49 1HD ARG 49 7.583 -0.262 7.650 767 2HD ARG 49 2HD ARG 49 7.133 1.117 6.626 768 HE ARG 49 HE ARG 49 5.316 0.652 8.882 769 1HH1 ARG 49 1HH1 ARG 49 8.513 1.675 8.467 770 2HH1 ARG 49 2HH1 ARG 49 8.307 3.191 9.278 771 1HH2 ARG 49 1HH2 ARG 49 4.871 2.852 9.604 772 2HH2 ARG 49 2HH2 ARG 49 6.245 3.858 9.922 773 H ASP 50 H ASP 50 5.483 -2.234 8.848 774 HA ASP 50 HA ASP 50 8.036 -1.556 10.108 775 1HB ASP 50 1HB ASP 50 5.376 -0.896 10.421 776 2HB ASP 50 2HB ASP 50 5.651 -1.980 11.785 777 H GLN 51 H GLN 51 5.732 -4.260 10.211 778 HA GLN 51 HA GLN 51 7.069 -5.659 12.381 779 1HB GLN 51 2HB GLN 51 5.172 -6.619 10.212 780 2HB GLN 51 1HB GLN 51 5.505 -7.446 11.734 781 1HG GLN 51 1HG GLN 51 4.531 -5.648 13.010 782 2HG GLN 51 2HG GLN 51 4.390 -4.634 11.573 783 2HE2 GLN 51 2HE2 GLN 51 3.508 -8.084 12.188 784 1HE2 GLN 51 1HE2 GLN 51 1.901 -7.914 11.669 785 H LEU 52 H LEU 52 7.294 -5.679 8.850 786 HA LEU 52 HA LEU 52 8.887 -8.074 8.611 787 1HB LEU 52 1HB LEU 52 7.722 -6.027 6.985 788 2HB LEU 52 2HB LEU 52 9.421 -6.174 6.534 789 HG LEU 52 HG LEU 52 8.006 -7.722 5.222 790 1HD1 LEU 52 1HD1 LEU 52 10.005 -8.804 7.194 791 2HD1 LEU 52 2HD1 LEU 52 9.208 -9.889 6.055 792 3HD1 LEU 52 3HD1 LEU 52 10.188 -8.549 5.459 793 1HD2 LEU 52 1HD2 LEU 52 6.912 -8.232 7.876 794 2HD2 LEU 52 2HD2 LEU 52 6.234 -8.624 6.297 795 3HD2 LEU 52 3HD2 LEU 52 7.374 -9.729 7.067 796 H HIS 53 H HIS 53 9.778 -4.598 8.555 797 HA HIS 53 HA HIS 53 12.622 -5.067 8.487 798 1HB HIS 53 1HB HIS 53 10.782 -2.771 9.156 799 2HB HIS 53 2HB HIS 53 12.530 -2.597 9.317 800 HD1 HIS 53 HD1 HIS 53 13.489 -4.176 6.877 801 HD2 HIS 53 HD2 HIS 53 10.310 -1.483 6.737 802 HE1 HIS 53 HE1 HIS 53 13.263 -3.460 4.458 803 H GLN 54 H GLN 54 10.294 -4.532 11.122 804 HA GLN 54 HA GLN 54 12.263 -4.349 13.232 805 1HB GLN 54 1HB GLN 54 9.864 -3.544 13.229 806 2HB GLN 54 2HB GLN 54 9.364 -5.231 13.357 807 1HG GLN 54 1HG GLN 54 10.490 -5.482 15.474 808 2HG GLN 54 2HG GLN 54 11.250 -3.898 15.316 809 2HE2 GLN 54 2HE2 GLN 54 9.218 -2.203 14.625 810 1HE2 GLN 54 1HE2 GLN 54 7.974 -2.229 15.779 811 H LEU 55 H LEU 55 10.283 -7.025 11.939 812 HA LEU 55 HA LEU 55 10.983 -9.040 13.798 813 1HB LEU 55 1HB LEU 55 10.114 -8.873 10.940 814 2HB LEU 55 2HB LEU 55 10.671 -10.437 11.535 815 HG LEU 55 HG LEU 55 8.703 -8.865 13.167 816 1HD1 LEU 55 1HD1 LEU 55 8.245 -9.798 10.476 817 2HD1 LEU 55 2HD1 LEU 55 7.270 -10.742 11.604 818 3HD1 LEU 55 3HD1 LEU 55 7.124 -8.984 11.567 819 1HD2 LEU 55 1HD2 LEU 55 9.767 -10.924 14.058 820 2HD2 LEU 55 2HD2 LEU 55 8.028 -11.130 13.851 821 3HD2 LEU 55 3HD2 LEU 55 9.144 -11.829 12.678 822 H ARG 56 H ARG 56 12.779 -7.732 11.052 823 HA ARG 56 HA ARG 56 14.749 -9.734 10.708 824 1HB ARG 56 1HB ARG 56 14.443 -7.803 9.238 825 2HB ARG 56 2HB ARG 56 14.899 -6.706 10.542 826 1HG ARG 56 1HG ARG 56 16.997 -8.559 10.407 827 2HG ARG 56 2HG ARG 56 16.605 -8.201 8.725 828 1HD ARG 56 1HD ARG 56 16.510 -5.696 9.922 829 2HD ARG 56 2HD ARG 56 17.885 -6.483 10.724 830 HE ARG 56 HE ARG 56 18.009 -7.078 7.936 831 1HH1 ARG 56 1HH1 ARG 56 17.264 -4.059 8.231 832 2HH1 ARG 56 2HH1 ARG 56 18.839 -3.352 8.092 833 1HH2 ARG 56 1HH2 ARG 56 20.516 -6.346 8.584 834 2HH2 ARG 56 2HH2 ARG 56 20.680 -4.647 8.293 835 H GLU 57 H GLU 57 14.935 -6.815 12.792 836 HA GLU 57 HA GLU 57 17.421 -7.364 14.018 837 1HB GLU 57 2HB GLU 57 14.939 -6.097 15.226 838 2HB GLU 57 1HB GLU 57 16.605 -5.812 15.731 839 1HG GLU 57 1HG GLU 57 16.972 -5.132 13.228 840 2HG GLU 57 2HG GLU 57 15.219 -4.933 13.212 841 H LEU 58 H LEU 58 14.138 -8.359 15.022 842 HA LEU 58 HA LEU 58 14.819 -9.681 17.436 843 1HB LEU 58 1HB LEU 58 12.681 -10.097 15.332 844 2HB LEU 58 2HB LEU 58 12.686 -10.980 16.860 845 HG LEU 58 HG LEU 58 12.658 -7.960 16.576 846 1HD1 LEU 58 1HD1 LEU 58 10.550 -9.529 16.094 847 2HD1 LEU 58 2HD1 LEU 58 10.467 -9.539 17.855 848 3HD1 LEU 58 3HD1 LEU 58 10.384 -8.012 16.978 849 1HD2 LEU 58 1HD2 LEU 58 13.242 -9.785 18.790 850 2HD2 LEU 58 2HD2 LEU 58 13.500 -8.043 18.677 851 3HD2 LEU 58 3HD2 LEU 58 11.925 -8.673 19.161 852 H PHE 59 H PHE 59 15.303 -10.638 14.106 853 HA PHE 59 HA PHE 59 15.461 -13.441 14.276 854 1HB PHE 59 1HB PHE 59 15.662 -12.011 12.241 855 2HB PHE 59 2HB PHE 59 17.271 -11.523 12.771 856 HD1 PHE 59 HD1 PHE 59 19.130 -13.178 12.882 857 HD2 PHE 59 HD2 PHE 59 15.247 -14.209 11.302 858 HE1 PHE 59 HE1 PHE 59 20.098 -15.226 11.840 859 HE2 PHE 59 HE2 PHE 59 16.215 -16.255 10.259 860 HZ PHE 59 HZ PHE 59 18.641 -16.764 10.529 861 H ILE 60 H ILE 60 17.887 -10.999 15.189 862 HA ILE 60 HA ILE 60 19.925 -12.978 15.870 863 HB ILE 60 HB ILE 60 19.576 -10.018 16.450 864 1HG1 ILE 60 2HG1 ILE 60 19.711 -10.585 14.053 865 2HG1 ILE 60 1HG1 ILE 60 21.181 -9.764 14.579 866 1HG2 ILE 60 1HG2 ILE 60 21.518 -11.953 17.400 867 2HG2 ILE 60 2HG2 ILE 60 22.300 -10.715 16.418 868 3HG2 ILE 60 3HG2 ILE 60 21.346 -10.250 17.826 869 1HD1 ILE 60 1HD1 ILE 60 21.811 -12.386 15.078 870 2HD1 ILE 60 2HD1 ILE 60 20.813 -12.531 13.631 871 3HD1 ILE 60 3HD1 ILE 60 22.256 -11.517 13.609 872 H ALA 61 H ALA 61 17.505 -11.074 17.648 873 HA ALA 61 HA ALA 61 18.379 -11.675 20.299 874 1HB ALA 61 1HB ALA 61 16.698 -9.958 19.509 875 2HB ALA 61 3HB ALA 61 15.550 -11.277 19.281 876 3HB ALA 61 2HB ALA 61 16.157 -10.906 20.895 877 H ALA 62 H ALA 62 16.689 -13.593 17.920 878 HA ALA 62 HA ALA 62 15.981 -15.643 19.974 879 1HB ALA 62 1HB ALA 62 15.111 -16.320 17.347 880 2HB ALA 62 3HB ALA 62 14.825 -14.592 17.560 881 3HB ALA 62 2HB ALA 62 14.125 -15.750 18.693 882 H SER 63 H SER 63 17.130 -15.757 16.578 883 HA SER 63 HA SER 63 19.021 -17.936 17.411 884 1HB SER 63 1HB SER 63 17.231 -17.498 15.032 885 2HB SER 63 2HB SER 63 18.655 -18.523 14.878 886 HG SER 63 HG SER 63 16.632 -18.795 16.855 No H/Q in entry = 886 Start of MODEL 5 1 H LEU 8 H LEU 8 -9.876 15.752 -36.629 2 HA LEU 8 HA LEU 8 -12.099 14.042 -35.876 3 1HB LEU 8 1HB LEU 8 -9.291 13.110 -35.704 4 2HB LEU 8 2HB LEU 8 -10.257 12.844 -34.253 5 HG LEU 8 HG LEU 8 -12.053 11.902 -35.857 6 1HD1 LEU 8 1HD1 LEU 8 -9.589 11.887 -37.622 7 2HD1 LEU 8 2HD1 LEU 8 -11.023 10.908 -37.935 8 3HD1 LEU 8 3HD1 LEU 8 -11.134 12.669 -37.959 9 1HD2 LEU 8 1HD2 LEU 8 -9.411 10.561 -35.254 10 2HD2 LEU 8 2HD2 LEU 8 -10.939 10.391 -34.392 11 3HD2 LEU 8 3HD2 LEU 8 -10.749 9.687 -35.997 12 H GLU 9 H GLU 9 -12.914 14.728 -33.882 13 HA GLU 9 HA GLU 9 -11.289 16.013 -31.850 14 1HB GLU 9 1HB GLU 9 -11.682 17.593 -33.983 15 2HB GLU 9 2HB GLU 9 -13.197 17.919 -33.138 16 1HG GLU 9 1HG GLU 9 -11.903 18.467 -31.084 17 2HG GLU 9 2HG GLU 9 -10.407 18.221 -31.987 18 HA PRO 10 HA PRO 10 -15.661 14.601 -30.846 19 1HB PRO 10 1HB PRO 10 -14.993 12.478 -29.254 20 2HB PRO 10 2HB PRO 10 -15.233 12.332 -31.007 21 1HG PRO 10 2HG PRO 10 -12.704 12.498 -29.453 22 2HG PRO 10 1HG PRO 10 -13.088 11.530 -30.883 23 1HD PRO 10 1HD PRO 10 -11.639 13.844 -30.966 24 2HD PRO 10 2HD PRO 10 -12.608 13.237 -32.327 25 H ASP 11 H ASP 11 -12.813 14.351 -28.693 26 HA ASP 11 HA ASP 11 -12.409 15.238 -26.550 27 1HB ASP 11 1HB ASP 11 -14.215 17.155 -27.971 28 2HB ASP 11 2HB ASP 11 -13.919 17.422 -26.253 29 H ASN 12 H ASN 12 -15.796 16.263 -26.621 30 HA ASN 12 HA ASN 12 -16.451 14.107 -24.647 31 1HB ASN 12 2HB ASN 12 -17.536 15.823 -23.262 32 2HB ASN 12 1HB ASN 12 -15.853 16.263 -23.545 33 2HD2 ASN 12 2HD2 ASN 12 -15.432 17.985 -25.175 34 1HD2 ASN 12 1HD2 ASN 12 -16.654 19.091 -25.576 35 H VAL 13 H VAL 13 -17.149 14.098 -27.425 36 HA VAL 13 HA VAL 13 -19.829 15.168 -27.767 37 HB VAL 13 HB VAL 13 -18.094 14.828 -29.549 38 1HG1 VAL 13 1HG1 VAL 13 -18.758 11.935 -28.980 39 2HG1 VAL 13 2HG1 VAL 13 -18.112 12.456 -30.535 40 3HG1 VAL 13 3HG1 VAL 13 -17.170 12.695 -29.065 41 1HG2 VAL 13 1HG2 VAL 13 -20.810 13.525 -29.860 42 2HG2 VAL 13 2HG2 VAL 13 -20.381 15.198 -30.215 43 3HG2 VAL 13 3HG2 VAL 13 -19.747 13.893 -31.217 44 HA PRO 14 HA PRO 14 -21.134 10.679 -26.978 45 1HB PRO 14 1HB PRO 14 -19.595 9.137 -25.334 46 2HB PRO 14 2HB PRO 14 -19.357 9.202 -27.091 47 1HG PRO 14 2HG PRO 14 -17.742 10.369 -24.934 48 2HG PRO 14 1HG PRO 14 -17.278 9.918 -26.579 49 1HD PRO 14 1HD PRO 14 -17.831 12.519 -25.598 50 2HD PRO 14 2HD PRO 14 -17.514 12.043 -27.274 51 H MET 15 H MET 15 -19.151 11.483 -24.097 52 HA MET 15 HA MET 15 -21.340 12.610 -22.604 53 1HB MET 15 1HB MET 15 -21.634 10.654 -21.059 54 2HB MET 15 2HB MET 15 -22.154 10.309 -22.709 55 1HG MET 15 1HG MET 15 -20.266 8.990 -23.164 56 2HG MET 15 2HG MET 15 -19.333 9.704 -21.848 57 1HE MET 15 1HE MET 15 -20.478 7.005 -23.178 58 2HE MET 15 2HE MET 15 -20.754 5.805 -21.918 59 3HE MET 15 3HE MET 15 -22.114 6.710 -22.598 60 H ASP 16 H ASP 16 -20.687 12.864 -20.236 61 HA ASP 16 HA ASP 16 -17.964 12.282 -19.419 62 1HB ASP 16 1HB ASP 16 -18.516 14.581 -21.083 63 2HB ASP 16 2HB ASP 16 -17.926 15.112 -19.509 64 H MET 17 H MET 17 -19.638 11.616 -17.708 65 HA MET 17 HA MET 17 -21.175 13.472 -16.207 66 1HB MET 17 1HB MET 17 -21.052 11.685 -14.477 67 2HB MET 17 2HB MET 17 -21.359 11.023 -16.084 68 1HG MET 17 1HG MET 17 -19.068 10.352 -16.339 69 2HG MET 17 2HG MET 17 -18.582 11.249 -14.900 70 1HE MET 17 1HE MET 17 -18.936 8.076 -16.288 71 2HE MET 17 2HE MET 17 -17.641 8.316 -15.116 72 3HE MET 17 3HE MET 17 -18.848 7.048 -14.860 73 H SER 18 H SER 18 -17.728 12.775 -16.152 74 HA SER 18 HA SER 18 -17.360 14.359 -13.662 75 1HB SER 18 1HB SER 18 -15.138 13.166 -15.282 76 2HB SER 18 2HB SER 18 -15.311 13.271 -13.533 77 HG SER 18 HG SER 18 -16.176 11.351 -15.293 78 HA PRO 19 HA PRO 19 -15.990 17.858 -15.952 79 1HB PRO 19 1HB PRO 19 -14.402 19.086 -14.103 80 2HB PRO 19 2HB PRO 19 -16.169 19.016 -13.968 81 1HG PRO 19 2HG PRO 19 -14.117 17.551 -12.463 82 2HG PRO 19 1HG PRO 19 -15.783 17.942 -12.019 83 1HD PRO 19 1HD PRO 19 -14.787 15.456 -12.965 84 2HD PRO 19 2HD PRO 19 -16.478 15.894 -12.648 85 H LYS 20 H LYS 20 -14.083 15.307 -15.757 86 HA LYS 20 HA LYS 20 -12.043 14.726 -16.789 87 1HB LYS 20 1HB LYS 20 -13.028 16.482 -18.412 88 2HB LYS 20 2HB LYS 20 -11.883 17.609 -17.682 89 1HG LYS 20 1HG LYS 20 -11.018 14.930 -18.780 90 2HG LYS 20 2HG LYS 20 -11.078 16.381 -19.781 91 1HD LYS 20 1HD LYS 20 -9.751 17.305 -17.569 92 2HD LYS 20 2HD LYS 20 -9.170 15.642 -17.656 93 1HE LYS 20 1HE LYS 20 -9.239 17.341 -20.148 94 2HE LYS 20 2HE LYS 20 -7.874 17.452 -19.019 95 1HZ LYS 20 1HZ LYS 20 -8.929 14.856 -19.978 96 2HZ LYS 20 2HZ LYS 20 -7.698 15.685 -20.803 97 3HZ LYS 20 3HZ LYS 20 -7.447 15.165 -19.209 98 H ALA 21 H ALA 21 -11.591 18.137 -15.738 99 HA ALA 21 HA ALA 21 -8.932 18.031 -14.922 100 1HB ALA 21 1HB ALA 21 -9.565 20.132 -14.399 101 2HB ALA 21 2HB ALA 21 -10.423 19.514 -12.987 102 3HB ALA 21 3HB ALA 21 -11.258 19.656 -14.535 103 H LEU 22 H LEU 22 -11.781 17.183 -12.929 104 HA LEU 22 HA LEU 22 -10.152 16.297 -10.673 105 1HB LEU 22 1HB LEU 22 -12.309 17.165 -10.189 106 2HB LEU 22 2HB LEU 22 -13.063 16.244 -11.485 107 HG LEU 22 HG LEU 22 -12.888 14.194 -10.257 108 1HD1 LEU 22 1HD1 LEU 22 -11.106 15.776 -8.391 109 2HD1 LEU 22 2HD1 LEU 22 -11.785 14.204 -7.966 110 3HD1 LEU 22 3HD1 LEU 22 -10.683 14.347 -9.336 111 1HD2 LEU 22 1HD2 LEU 22 -14.558 16.071 -9.499 112 2HD2 LEU 22 2HD2 LEU 22 -14.362 14.635 -8.494 113 3HD2 LEU 22 3HD2 LEU 22 -13.545 16.136 -8.057 114 H GLN 23 H GLN 23 -12.395 14.550 -12.842 115 HA GLN 23 HA GLN 23 -11.800 11.913 -12.202 116 1HB GLN 23 1HB GLN 23 -13.530 12.583 -13.766 117 2HB GLN 23 2HB GLN 23 -12.332 13.232 -14.885 118 1HG GLN 23 1HG GLN 23 -11.369 10.915 -15.084 119 2HG GLN 23 2HG GLN 23 -12.720 10.324 -14.115 120 2HE2 GLN 23 2HE2 GLN 23 -13.934 9.195 -15.696 121 1HE2 GLN 23 1HE2 GLN 23 -14.542 9.915 -17.107 122 H GLN 24 H GLN 24 -9.877 14.124 -14.202 123 HA GLN 24 HA GLN 24 -8.016 12.106 -15.149 124 1HB GLN 24 1HB GLN 24 -8.545 14.342 -16.192 125 2HB GLN 24 2HB GLN 24 -7.676 15.106 -14.860 126 1HG GLN 24 1HG GLN 24 -6.127 12.951 -16.068 127 2HG GLN 24 2HG GLN 24 -6.550 14.196 -17.244 128 2HE2 GLN 24 2HE2 GLN 24 -4.320 13.416 -14.794 129 1HE2 GLN 24 1HE2 GLN 24 -3.675 14.967 -14.551 130 H LYS 25 H LYS 25 -8.101 14.353 -12.400 131 HA LYS 25 HA LYS 25 -5.393 13.849 -11.510 132 1HB LYS 25 1HB LYS 25 -7.818 15.285 -10.685 133 2HB LYS 25 2HB LYS 25 -6.889 14.664 -9.320 134 1HG LYS 25 2HG LYS 25 -5.395 16.323 -9.577 135 2HG LYS 25 1HG LYS 25 -5.046 15.755 -11.210 136 1HD LYS 25 1HD LYS 25 -6.438 17.293 -12.195 137 2HD LYS 25 2HD LYS 25 -7.568 17.294 -10.840 138 1HE LYS 25 1HE LYS 25 -4.804 18.420 -10.441 139 2HE LYS 25 2HE LYS 25 -6.053 19.410 -11.224 140 1HZ LYS 25 1HZ LYS 25 -7.552 18.848 -9.377 141 2HZ LYS 25 2HZ LYS 25 -6.288 18.022 -8.605 142 3HZ LYS 25 3HZ LYS 25 -6.182 19.700 -8.845 143 H ILE 26 H ILE 26 -8.584 12.605 -10.463 144 HA ILE 26 HA ILE 26 -7.715 10.911 -8.370 145 HB ILE 26 HB ILE 26 -9.954 10.610 -10.399 146 1HG1 ILE 26 1HG1 ILE 26 -10.186 11.638 -7.575 147 2HG1 ILE 26 2HG1 ILE 26 -9.718 12.723 -8.885 148 1HG2 ILE 26 1HG2 ILE 26 -9.069 8.732 -8.544 149 2HG2 ILE 26 2HG2 ILE 26 -10.391 9.549 -7.711 150 3HG2 ILE 26 3HG2 ILE 26 -10.672 8.785 -9.276 151 1HD1 ILE 26 1HD1 ILE 26 -12.086 10.963 -9.336 152 2HD1 ILE 26 2HD1 ILE 26 -12.284 12.332 -8.242 153 3HD1 ILE 26 3HD1 ILE 26 -11.781 12.603 -9.910 154 H HIS 27 H HIS 27 -8.345 9.995 -11.786 155 HA HIS 27 HA HIS 27 -7.416 7.330 -11.653 156 1HB HIS 27 1HB HIS 27 -8.504 8.953 -13.516 157 2HB HIS 27 2HB HIS 27 -6.833 8.957 -14.079 158 HD1 HIS 27 HD1 HIS 27 -5.777 6.593 -14.671 159 HD2 HIS 27 HD2 HIS 27 -9.885 6.550 -13.962 160 HE1 HIS 27 HE1 HIS 27 -6.634 4.378 -15.552 161 H GLU 28 H GLU 28 -5.619 10.352 -11.862 162 HA GLU 28 HA GLU 28 -3.074 9.113 -12.568 163 1HB GLU 28 1HB GLU 28 -4.184 11.629 -12.605 164 2HB GLU 28 2HB GLU 28 -3.101 11.737 -11.216 165 1HG GLU 28 2HG GLU 28 -1.932 12.383 -13.289 166 2HG GLU 28 1HG GLU 28 -1.234 10.913 -12.608 167 H LEU 29 H LEU 29 -4.580 10.299 -9.558 168 HA LEU 29 HA LEU 29 -2.257 9.661 -7.909 169 1HB LEU 29 1HB LEU 29 -5.159 10.356 -7.362 170 2HB LEU 29 2HB LEU 29 -3.951 10.172 -6.091 171 HG LEU 29 HG LEU 29 -3.608 12.066 -8.426 172 1HD1 LEU 29 1HD1 LEU 29 -5.512 12.324 -6.431 173 2HD1 LEU 29 2HD1 LEU 29 -4.146 13.235 -5.791 174 3HD1 LEU 29 3HD1 LEU 29 -4.825 13.654 -7.364 175 1HD2 LEU 29 1HD2 LEU 29 -2.037 11.255 -6.065 176 2HD2 LEU 29 2HD2 LEU 29 -1.501 12.012 -7.565 177 3HD2 LEU 29 3HD2 LEU 29 -2.175 13.002 -6.271 178 H GLU 30 H GLU 30 -5.432 8.144 -8.527 179 HA GLU 30 HA GLU 30 -5.191 5.988 -6.673 180 1HB GLU 30 1HB GLU 30 -7.239 6.753 -7.890 181 2HB GLU 30 2HB GLU 30 -6.568 6.081 -9.377 182 1HG GLU 30 1HG GLU 30 -6.390 4.069 -7.363 183 2HG GLU 30 2HG GLU 30 -8.029 4.722 -7.326 184 H GLY 31 H GLY 31 -4.090 6.336 -10.037 185 1HA GLY 31 2HA GLY 31 -2.751 4.925 -11.361 186 2HA GLY 31 1HA GLY 31 -3.223 3.591 -10.307 187 H LEU 32 H LEU 32 -1.818 6.471 -8.931 188 HA LEU 32 HA LEU 32 0.947 5.614 -8.998 189 1HB LEU 32 1HB LEU 32 -0.374 7.918 -8.507 190 2HB LEU 32 2HB LEU 32 -0.087 7.398 -6.846 191 HG LEU 32 HG LEU 32 2.324 7.148 -7.348 192 1HD1 LEU 32 1HD1 LEU 32 1.311 7.609 -10.074 193 2HD1 LEU 32 2HD1 LEU 32 2.745 8.555 -9.675 194 3HD1 LEU 32 3HD1 LEU 32 2.785 6.797 -9.543 195 1HD2 LEU 32 1HD2 LEU 32 0.811 9.613 -7.306 196 2HD2 LEU 32 2HD2 LEU 32 2.388 9.272 -6.593 197 3HD2 LEU 32 3HD2 LEU 32 2.277 9.823 -8.264 198 H MET 33 H MET 33 -1.667 5.355 -6.583 199 HA MET 33 HA MET 33 -0.224 4.316 -4.397 200 1HB MET 33 1HB MET 33 -2.990 4.198 -5.486 201 2HB MET 33 2HB MET 33 -2.589 2.994 -4.261 202 1HG MET 33 1HG MET 33 -2.229 4.589 -2.611 203 2HG MET 33 2HG MET 33 -1.813 5.847 -3.775 204 1HE MET 33 1HE MET 33 -4.418 3.234 -3.636 205 2HE MET 33 2HE MET 33 -5.000 3.876 -2.103 206 3HE MET 33 3HE MET 33 -5.991 4.039 -3.551 207 H MET 34 H MET 34 -1.776 2.490 -7.065 208 HA MET 34 HA MET 34 -1.110 -0.125 -6.303 209 1HB MET 34 2HB MET 34 -1.125 1.146 -9.061 210 2HB MET 34 1HB MET 34 -1.286 -0.581 -8.735 211 1HG MET 34 1HG MET 34 -3.226 0.410 -7.104 212 2HG MET 34 2HG MET 34 -3.269 1.595 -8.409 213 1HE MET 34 1HE MET 34 -3.327 -2.093 -7.400 214 2HE MET 34 2HE MET 34 -4.915 -1.368 -7.164 215 3HE MET 34 3HE MET 34 -4.701 -2.676 -8.336 216 H GLN 35 H GLN 35 0.889 2.186 -8.167 217 HA GLN 35 HA GLN 35 3.085 0.565 -8.799 218 1HB GLN 35 1HB GLN 35 2.809 2.860 -9.556 219 2HB GLN 35 2HB GLN 35 2.927 3.461 -7.904 220 1HG GLN 35 2HG GLN 35 5.152 3.641 -8.188 221 2HG GLN 35 1HG GLN 35 5.230 1.883 -8.312 222 2HE2 GLN 35 2HE2 GLN 35 4.678 4.817 -10.317 223 1HE2 GLN 35 1HE2 GLN 35 5.261 4.129 -11.754 224 H HIS 36 H HIS 36 3.426 2.887 -6.123 225 HA HIS 36 HA HIS 36 5.497 1.538 -4.778 226 1HB HIS 36 1HB HIS 36 3.406 3.563 -4.153 227 2HB HIS 36 2HB HIS 36 4.248 2.849 -2.777 228 HD1 HIS 36 HD1 HIS 36 5.324 5.315 -2.505 229 HD2 HIS 36 HD2 HIS 36 6.501 3.185 -5.890 230 HE1 HIS 36 HE1 HIS 36 7.404 6.460 -3.385 231 H ALA 37 H ALA 37 1.990 1.411 -4.052 232 HA ALA 37 HA ALA 37 1.929 -0.351 -1.898 233 1HB ALA 37 1HB ALA 37 -0.304 -0.988 -2.853 234 2HB ALA 37 3HB ALA 37 -0.020 0.751 -2.887 235 3HB ALA 37 2HB ALA 37 0.155 -0.201 -4.361 236 H GLN 38 H GLN 38 2.491 -1.115 -5.315 237 HA GLN 38 HA GLN 38 2.409 -4.014 -4.915 238 1HB GLN 38 1HB GLN 38 2.912 -2.036 -7.084 239 2HB GLN 38 2HB GLN 38 3.646 -3.627 -7.294 240 1HG GLN 38 1HG GLN 38 1.086 -4.222 -6.405 241 2HG GLN 38 2HG GLN 38 0.833 -2.845 -7.477 242 2HE2 GLN 38 2HE2 GLN 38 1.152 -6.207 -7.466 243 1HE2 GLN 38 1HE2 GLN 38 1.563 -6.429 -9.098 244 H ASN 39 H ASN 39 4.866 -1.472 -5.051 245 HA ASN 39 HA ASN 39 7.062 -3.453 -4.768 246 1HB ASN 39 1HB ASN 39 6.756 -0.524 -5.362 247 2HB ASN 39 2HB ASN 39 8.314 -1.118 -4.786 248 2HD2 ASN 39 2HD2 ASN 39 7.619 -0.115 -7.532 249 1HD2 ASN 39 1HD2 ASN 39 7.987 -1.392 -8.588 250 H LEU 40 H LEU 40 4.967 -2.747 -2.631 251 HA LEU 40 HA LEU 40 4.928 -2.431 -0.303 252 1HB LEU 40 2HB LEU 40 7.860 -3.108 -0.710 253 2HB LEU 40 1HB LEU 40 6.987 -3.222 0.817 254 HG LEU 40 HG LEU 40 5.335 -4.729 -0.578 255 1HD1 LEU 40 1HD1 LEU 40 7.726 -4.427 -2.312 256 2HD1 LEU 40 2HD1 LEU 40 7.115 -6.070 -2.124 257 3HD1 LEU 40 3HD1 LEU 40 6.059 -4.803 -2.748 258 1HD2 LEU 40 1HD2 LEU 40 7.962 -5.354 0.699 259 2HD2 LEU 40 2HD2 LEU 40 6.338 -5.860 1.167 260 3HD2 LEU 40 3HD2 LEU 40 7.157 -6.656 -0.178 261 H GLU 41 H GLU 41 5.621 -0.109 -2.114 262 HA GLU 41 HA GLU 41 7.268 1.528 -0.224 263 1HB GLU 41 1HB GLU 41 6.500 1.765 -3.144 264 2HB GLU 41 2HB GLU 41 7.311 3.064 -2.270 265 1HG GLU 41 1HG GLU 41 8.472 0.310 -2.115 266 2HG GLU 41 2HG GLU 41 8.716 1.242 -3.594 267 H PHE 42 H PHE 42 4.224 0.757 -0.244 268 HA PHE 42 HA PHE 42 2.647 3.044 -0.747 269 1HB PHE 42 1HB PHE 42 1.085 1.893 0.870 270 2HB PHE 42 2HB PHE 42 1.686 0.867 -0.429 271 HD1 PHE 42 HD1 PHE 42 2.658 1.922 3.068 272 HD2 PHE 42 HD2 PHE 42 2.511 -1.250 0.138 273 HE1 PHE 42 HE1 PHE 42 3.564 0.324 4.746 274 HE2 PHE 42 HE2 PHE 42 3.400 -2.841 1.817 275 HZ PHE 42 HZ PHE 42 3.931 -2.056 4.126 276 H GLU 43 H GLU 43 5.054 2.702 1.691 277 HA GLU 43 HA GLU 43 3.991 3.976 3.950 278 1HB GLU 43 1HB GLU 43 6.277 3.102 3.765 279 2HB GLU 43 2HB GLU 43 6.674 4.339 2.571 280 1HG GLU 43 1HG GLU 43 5.954 6.033 4.401 281 2HG GLU 43 2HG GLU 43 6.129 4.678 5.516 282 H GLU 44 H GLU 44 5.820 5.725 1.434 283 HA GLU 44 HA GLU 44 4.490 8.259 2.112 284 1HB GLU 44 1HB GLU 44 6.017 9.101 0.329 285 2HB GLU 44 2HB GLU 44 6.877 8.127 1.522 286 1HG GLU 44 1HG GLU 44 7.179 6.353 0.064 287 2HG GLU 44 2HG GLU 44 5.745 6.751 -0.883 288 H ALA 45 H ALA 45 4.046 5.647 -0.130 289 HA ALA 45 HA ALA 45 2.611 7.133 -2.180 290 1HB ALA 45 1HB ALA 45 1.975 4.396 -2.292 291 2HB ALA 45 3HB ALA 45 3.598 4.458 -1.607 292 3HB ALA 45 2HB ALA 45 3.269 5.211 -3.169 293 H ALA 46 H ALA 46 1.563 4.858 0.385 294 HA ALA 46 HA ALA 46 -1.186 4.850 -0.116 295 1HB ALA 46 1HB ALA 46 0.454 4.741 2.419 296 2HB ALA 46 3HB ALA 46 -0.263 3.398 1.525 297 3HB ALA 46 2HB ALA 46 -1.291 4.507 2.433 298 H GLN 47 H GLN 47 0.774 7.453 1.161 299 HA GLN 47 HA GLN 47 -1.108 9.000 2.571 300 1HB GLN 47 1HB GLN 47 1.000 9.924 0.594 301 2HB GLN 47 2HB GLN 47 0.327 10.878 1.916 302 1HG GLN 47 1HG GLN 47 1.122 8.811 3.375 303 2HG GLN 47 2HG GLN 47 2.233 8.570 2.024 304 2HE2 GLN 47 2HE2 GLN 47 3.810 10.293 1.576 305 1HE2 GLN 47 1HE2 GLN 47 4.169 11.470 2.746 306 H ILE 48 H ILE 48 -0.710 8.565 -0.925 307 HA ILE 48 HA ILE 48 -2.340 10.639 -1.925 308 HB ILE 48 HB ILE 48 -1.998 7.746 -2.790 309 1HG1 ILE 48 1HG1 ILE 48 -0.684 10.202 -3.958 310 2HG1 ILE 48 2HG1 ILE 48 0.019 9.360 -2.576 311 1HG2 ILE 48 1HG2 ILE 48 -3.061 10.147 -4.312 312 2HG2 ILE 48 2HG2 ILE 48 -2.683 8.582 -5.034 313 3HG2 ILE 48 3HG2 ILE 48 -3.982 8.715 -3.849 314 1HD1 ILE 48 1HD1 ILE 48 -0.785 7.812 -5.025 315 2HD1 ILE 48 2HD1 ILE 48 0.756 8.666 -4.990 316 3HD1 ILE 48 3HD1 ILE 48 0.420 7.406 -3.803 317 H ARG 49 H ARG 49 -3.188 7.687 -0.245 318 HA ARG 49 HA ARG 49 -5.903 7.334 -0.882 319 1HB ARG 49 1HB ARG 49 -4.724 5.805 0.543 320 2HB ARG 49 2HB ARG 49 -4.306 7.080 1.680 321 1HG ARG 49 1HG ARG 49 -7.147 7.051 1.455 322 2HG ARG 49 2HG ARG 49 -6.615 5.386 1.683 323 1HD ARG 49 1HD ARG 49 -6.998 6.556 3.862 324 2HD ARG 49 2HD ARG 49 -5.305 6.061 3.668 325 HE ARG 49 HE ARG 49 -4.791 8.399 2.980 326 1HH1 ARG 49 1HH1 ARG 49 -8.123 8.219 3.218 327 2HH1 ARG 49 2HH1 ARG 49 -8.312 9.630 4.205 328 1HH2 ARG 49 1HH2 ARG 49 -4.912 10.019 4.764 329 2HH2 ARG 49 2HH2 ARG 49 -6.494 10.649 5.079 330 H ASP 50 H ASP 50 -4.386 9.753 1.219 331 HA ASP 50 HA ASP 50 -6.839 10.809 2.332 332 1HB ASP 50 1HB ASP 50 -4.268 11.005 2.965 333 2HB ASP 50 2HB ASP 50 -4.345 12.429 1.929 334 H GLN 51 H GLN 51 -4.918 11.507 -0.562 335 HA GLN 51 HA GLN 51 -6.447 13.898 -1.275 336 1HB GLN 51 2HB GLN 51 -4.587 12.123 -2.894 337 2HB GLN 51 1HB GLN 51 -5.046 13.781 -3.286 338 1HG GLN 51 1HG GLN 51 -3.920 14.636 -1.335 339 2HG GLN 51 2HG GLN 51 -3.641 13.007 -0.716 340 2HE2 GLN 51 2HE2 GLN 51 -3.142 14.431 -3.999 341 1HE2 GLN 51 1HE2 GLN 51 -1.509 13.979 -4.103 342 H LEU 52 H LEU 52 -6.380 10.482 -2.292 343 HA LEU 52 HA LEU 52 -8.253 10.658 -4.436 344 1HB LEU 52 1HB LEU 52 -6.906 8.674 -2.792 345 2HB LEU 52 2HB LEU 52 -8.554 8.167 -3.162 346 HG LEU 52 HG LEU 52 -6.979 7.407 -4.906 347 1HD1 LEU 52 1HD1 LEU 52 -9.403 8.300 -5.344 348 2HD1 LEU 52 2HD1 LEU 52 -8.575 9.644 -6.132 349 3HD1 LEU 52 3HD1 LEU 52 -8.340 7.998 -6.719 350 1HD2 LEU 52 1HD2 LEU 52 -5.638 9.712 -4.458 351 2HD2 LEU 52 2HD2 LEU 52 -5.484 8.797 -5.958 352 3HD2 LEU 52 3HD2 LEU 52 -6.565 10.189 -5.880 353 H HIS 53 H HIS 53 -8.737 10.070 -0.946 354 HA HIS 53 HA HIS 53 -11.570 9.636 -1.062 355 1HB HIS 53 1HB HIS 53 -9.657 9.359 0.787 356 2HB HIS 53 2HB HIS 53 -10.256 10.941 1.287 357 HD1 HIS 53 HD1 HIS 53 -12.085 7.819 0.052 358 HD2 HIS 53 HD2 HIS 53 -12.103 10.459 3.277 359 HE1 HIS 53 HE1 HIS 53 -13.991 7.099 1.557 360 H GLN 54 H GLN 54 -9.623 12.585 -0.558 361 HA GLN 54 HA GLN 54 -11.918 14.318 -0.158 362 1HB GLN 54 1HB GLN 54 -9.181 14.406 0.209 363 2HB GLN 54 2HB GLN 54 -9.413 15.496 -1.157 364 1HG GLN 54 1HG GLN 54 -10.908 16.884 0.064 365 2HG GLN 54 2HG GLN 54 -11.116 15.675 1.331 366 2HE2 GLN 54 2HE2 GLN 54 -7.971 16.553 -0.102 367 1HE2 GLN 54 1HE2 GLN 54 -7.329 17.233 1.314 368 H LEU 55 H LEU 55 -9.788 13.602 -2.936 369 HA LEU 55 HA LEU 55 -11.013 15.468 -4.752 370 1HB LEU 55 1HB LEU 55 -9.165 13.136 -4.817 371 2HB LEU 55 2HB LEU 55 -9.947 13.554 -6.342 372 HG LEU 55 HG LEU 55 -9.168 16.017 -5.297 373 1HD1 LEU 55 1HD1 LEU 55 -7.215 13.840 -4.606 374 2HD1 LEU 55 2HD1 LEU 55 -6.618 15.436 -5.053 375 3HD1 LEU 55 3HD1 LEU 55 -7.684 15.253 -3.661 376 1HD2 LEU 55 1HD2 LEU 55 -8.070 14.144 -7.387 377 2HD2 LEU 55 2HD2 LEU 55 -8.972 15.643 -7.611 378 3HD2 LEU 55 3HD2 LEU 55 -7.290 15.696 -7.084 379 H ARG 56 H ARG 56 -11.922 12.287 -3.640 380 HA ARG 56 HA ARG 56 -13.640 11.574 -5.860 381 1HB ARG 56 1HB ARG 56 -12.629 10.025 -4.177 382 2HB ARG 56 2HB ARG 56 -13.686 10.720 -2.947 383 1HG ARG 56 1HG ARG 56 -15.512 10.129 -4.867 384 2HG ARG 56 2HG ARG 56 -14.330 8.851 -5.157 385 1HD ARG 56 1HD ARG 56 -14.506 8.053 -2.891 386 2HD ARG 56 2HD ARG 56 -15.453 9.474 -2.405 387 HE ARG 56 HE ARG 56 -16.537 7.778 -4.590 388 1HH1 ARG 56 1HH1 ARG 56 -18.546 9.483 -3.740 389 2HH1 ARG 56 2HH1 ARG 56 -19.316 8.709 -2.395 390 1HH2 ARG 56 1HH2 ARG 56 -16.690 6.520 -1.811 391 2HH2 ARG 56 2HH2 ARG 56 -18.264 7.032 -1.303 392 H GLU 57 H GLU 57 -14.391 12.758 -2.554 393 HA GLU 57 HA GLU 57 -17.184 13.100 -2.924 394 1HB GLU 57 1HB GLU 57 -16.906 14.667 -0.984 395 2HB GLU 57 2HB GLU 57 -16.060 13.136 -0.757 396 1HG GLU 57 1HG GLU 57 -13.960 14.092 -1.087 397 2HG GLU 57 2HG GLU 57 -14.609 15.443 -2.018 398 H LEU 58 H LEU 58 -14.496 15.010 -4.058 399 HA LEU 58 HA LEU 58 -15.915 17.499 -4.461 400 1HB LEU 58 1HB LEU 58 -13.314 16.521 -4.596 401 2HB LEU 58 2HB LEU 58 -13.693 16.905 -6.275 402 HG LEU 58 HG LEU 58 -14.316 18.854 -4.060 403 1HD1 LEU 58 1HD1 LEU 58 -11.752 17.960 -4.543 404 2HD1 LEU 58 2HD1 LEU 58 -11.871 19.353 -5.618 405 3HD1 LEU 58 3HD1 LEU 58 -12.161 19.546 -3.890 406 1HD2 LEU 58 1HD2 LEU 58 -15.247 19.044 -6.436 407 2HD2 LEU 58 2HD2 LEU 58 -14.361 20.449 -5.844 408 3HD2 LEU 58 3HD2 LEU 58 -13.587 19.325 -6.961 409 H PHE 59 H PHE 59 -15.808 14.486 -6.193 410 HA PHE 59 HA PHE 59 -16.283 15.203 -8.859 411 1HB PHE 59 1HB PHE 59 -16.020 12.916 -7.831 412 2HB PHE 59 2HB PHE 59 -17.690 13.033 -7.274 413 HD1 PHE 59 HD1 PHE 59 -19.535 13.443 -9.024 414 HD2 PHE 59 HD2 PHE 59 -15.520 12.229 -10.048 415 HE1 PHE 59 HE1 PHE 59 -20.335 12.683 -11.259 416 HE2 PHE 59 HE2 PHE 59 -16.321 11.468 -12.282 417 HZ PHE 59 HZ PHE 59 -18.728 11.695 -12.889 418 H ILE 60 H ILE 60 -18.646 15.022 -6.184 419 HA ILE 60 HA ILE 60 -20.919 15.746 -7.841 420 HB ILE 60 HB ILE 60 -20.402 15.788 -4.849 421 1HG1 ILE 60 2HG1 ILE 60 -20.179 13.564 -5.884 422 2HG1 ILE 60 1HG1 ILE 60 -21.646 13.640 -4.906 423 1HG2 ILE 60 1HG2 ILE 60 -22.744 16.530 -6.496 424 2HG2 ILE 60 2HG2 ILE 60 -23.092 15.427 -5.164 425 3HG2 ILE 60 3HG2 ILE 60 -22.339 16.988 -4.842 426 1HD1 ILE 60 1HD1 ILE 60 -22.682 14.454 -7.244 427 2HD1 ILE 60 2HD1 ILE 60 -21.347 13.486 -7.869 428 3HD1 ILE 60 3HD1 ILE 60 -22.558 12.746 -6.821 429 H ALA 61 H ALA 61 -18.623 17.528 -5.810 430 HA ALA 61 HA ALA 61 -20.009 20.043 -5.783 431 1HB ALA 61 1HB ALA 61 -18.247 19.607 -4.224 432 2HB ALA 61 2HB ALA 61 -17.123 19.170 -5.512 433 3HB ALA 61 3HB ALA 61 -17.617 20.850 -5.305 434 H ALA 62 H ALA 62 -18.124 18.417 -8.224 435 HA ALA 62 HA ALA 62 -18.090 20.920 -9.877 436 1HB ALA 62 1HB ALA 62 -15.918 19.804 -9.211 437 2HB ALA 62 3HB ALA 62 -16.150 19.940 -10.955 438 3HB ALA 62 2HB ALA 62 -16.425 18.398 -10.147 439 H SER 63 H SER 63 -18.222 17.361 -10.343 440 HA SER 63 HA SER 63 -19.450 16.082 -11.908 441 1HB SER 63 1HB SER 63 -21.126 17.516 -10.398 442 2HB SER 63 2HB SER 63 -21.490 18.270 -11.948 443 HG SER 63 HG SER 63 -22.429 16.019 -11.041 444 H LEU 8 H LEU 8 8.685 -39.890 4.611 445 HA LEU 8 HA LEU 8 10.932 -38.763 3.154 446 1HB LEU 8 1HB LEU 8 8.129 -38.238 2.347 447 2HB LEU 8 2HB LEU 8 9.147 -36.804 2.489 448 HG LEU 8 HG LEU 8 10.880 -38.136 1.107 449 1HD1 LEU 8 1HD1 LEU 8 8.352 -39.738 0.626 450 2HD1 LEU 8 2HD1 LEU 8 9.770 -39.811 -0.419 451 3HD1 LEU 8 3HD1 LEU 8 9.885 -40.336 1.261 452 1HD2 LEU 8 1HD2 LEU 8 8.256 -37.088 0.028 453 2HD2 LEU 8 2HD2 LEU 8 9.815 -36.266 0.088 454 3HD2 LEU 8 3HD2 LEU 8 9.564 -37.599 -1.039 455 H GLU 9 H GLU 9 11.820 -37.073 4.363 456 HA GLU 9 HA GLU 9 10.277 -35.431 6.191 457 1HB GLU 9 1HB GLU 9 10.595 -37.936 7.101 458 2HB GLU 9 2HB GLU 9 12.140 -37.271 7.632 459 1HG GLU 9 1HG GLU 9 10.924 -35.410 8.753 460 2HG GLU 9 2HG GLU 9 9.396 -36.156 8.282 461 HA PRO 10 HA PRO 10 14.679 -34.221 5.063 462 1HB PRO 10 1HB PRO 10 14.063 -32.073 3.485 463 2HB PRO 10 2HB PRO 10 14.238 -33.719 2.847 464 1HG PRO 10 2HG PRO 10 11.767 -32.188 3.479 465 2HG PRO 10 1HG PRO 10 12.097 -33.300 2.141 466 1HD PRO 10 1HD PRO 10 10.653 -33.982 4.357 467 2HD PRO 10 2HD PRO 10 11.567 -35.148 3.377 468 H ASP 11 H ASP 11 11.911 -31.988 5.470 469 HA ASP 11 HA ASP 11 11.590 -30.172 6.930 470 1HB ASP 11 1HB ASP 11 13.347 -32.136 8.344 471 2HB ASP 11 2HB ASP 11 13.117 -30.555 9.089 472 H ASN 12 H ASN 12 14.974 -30.645 7.848 473 HA ASN 12 HA ASN 12 15.695 -28.165 6.329 474 1HB ASN 12 2HB ASN 12 16.835 -27.361 8.351 475 2HB ASN 12 1HB ASN 12 15.142 -27.697 8.715 476 2HD2 ASN 12 2HD2 ASN 12 14.667 -29.731 9.913 477 1HD2 ASN 12 1HD2 ASN 12 15.877 -30.471 10.845 478 H VAL 13 H VAL 13 16.290 -30.850 5.526 479 HA VAL 13 HA VAL 13 18.959 -31.573 6.421 480 HB VAL 13 HB VAL 13 17.157 -33.124 5.615 481 1HG1 VAL 13 1HG1 VAL 13 17.833 -31.784 2.991 482 2HG1 VAL 13 2HG1 VAL 13 17.132 -33.399 3.061 483 3HG1 VAL 13 3HG1 VAL 13 16.245 -32.026 3.719 484 1HG2 VAL 13 1HG2 VAL 13 19.856 -33.148 4.240 485 2HG2 VAL 13 2HG2 VAL 13 19.419 -33.946 5.751 486 3HG2 VAL 13 3HG2 VAL 13 18.744 -34.517 4.225 487 HA PRO 14 HA PRO 14 20.278 -29.591 2.322 488 1HB PRO 14 1HB PRO 14 18.797 -27.527 1.325 489 2HB PRO 14 2HB PRO 14 18.494 -29.221 0.896 490 1HG PRO 14 2HG PRO 14 16.963 -27.428 2.645 491 2HG PRO 14 1HG PRO 14 16.438 -28.862 1.755 492 1HD PRO 14 1HD PRO 14 17.033 -28.675 4.518 493 2HD PRO 14 2HD PRO 14 16.654 -30.137 3.594 494 H MET 15 H MET 15 18.404 -26.990 3.930 495 HA MET 15 HA MET 15 20.650 -25.952 5.405 496 1HB MET 15 1HB MET 15 20.995 -23.927 3.960 497 2HB MET 15 2HB MET 15 21.453 -25.430 3.157 498 1HG MET 15 1HG MET 15 19.546 -25.429 1.788 499 2HG MET 15 2HG MET 15 18.664 -24.337 2.857 500 1HE MET 15 1HE MET 15 19.750 -24.888 -0.122 501 2HE MET 15 2HE MET 15 20.069 -23.351 -0.921 502 3HE MET 15 3HE MET 15 21.407 -24.304 -0.264 503 H ASP 16 H ASP 16 20.086 -23.730 6.325 504 HA ASP 16 HA ASP 16 17.392 -22.688 6.033 505 1HB ASP 16 1HB ASP 16 17.889 -24.953 7.761 506 2HB ASP 16 2HB ASP 16 17.360 -23.573 8.724 507 H MET 17 H MET 17 19.127 -20.918 5.855 508 HA MET 17 HA MET 17 20.724 -20.056 8.038 509 1HB MET 17 1HB MET 17 20.659 -17.890 6.813 510 2HB MET 17 2HB MET 17 20.905 -19.253 5.722 511 1HG MET 17 1HG MET 17 18.604 -19.228 5.036 512 2HG MET 17 2HG MET 17 18.174 -18.086 6.310 513 1HE MET 17 1HE MET 17 18.467 -18.532 2.870 514 2HE MET 17 2HE MET 17 17.218 -17.432 3.448 515 3HE MET 17 3HE MET 17 18.430 -16.869 2.288 516 H SER 18 H SER 18 17.279 -19.689 7.431 517 HA SER 18 HA SER 18 17.007 -17.736 9.660 518 1HB SER 18 1HB SER 18 14.724 -18.876 8.087 519 2HB SER 18 2HB SER 18 14.961 -17.235 8.680 520 HG SER 18 HG SER 18 15.756 -18.409 6.330 521 HA PRO 19 HA PRO 19 15.564 -20.873 12.388 522 1HB PRO 19 1HB PRO 19 14.049 -19.392 14.108 523 2HB PRO 19 2HB PRO 19 15.821 -19.304 14.056 524 1HG PRO 19 2HG PRO 19 13.821 -17.377 13.102 525 2HG PRO 19 1HG PRO 19 15.503 -17.119 13.580 526 1HD PRO 19 1HD PRO 19 14.465 -17.290 10.943 527 2HD PRO 19 2HD PRO 19 16.168 -17.167 11.429 528 H LYS 20 H LYS 20 13.659 -19.898 10.019 529 HA LYS 20 HA LYS 20 11.579 -20.654 9.199 530 1HB LYS 20 1HB LYS 20 12.510 -22.740 10.412 531 2HB LYS 20 2HB LYS 20 11.396 -22.319 11.714 532 1HG LYS 20 1HG LYS 20 10.483 -22.584 8.845 533 2HG LYS 20 2HG LYS 20 10.510 -23.956 9.954 534 1HD LYS 20 1HD LYS 20 9.268 -22.051 11.483 535 2HD LYS 20 2HD LYS 20 8.680 -21.643 9.871 536 1HE LYS 20 1HE LYS 20 8.662 -24.515 10.796 537 2HE LYS 20 2HE LYS 20 7.341 -23.417 11.239 538 1HZ LYS 20 1HZ LYS 20 8.351 -23.639 8.465 539 2HZ LYS 20 2HZ LYS 20 7.093 -24.623 9.043 540 3HZ LYS 20 3HZ LYS 20 6.899 -22.938 8.998 541 H ALA 21 H ALA 21 11.177 -20.595 12.773 542 HA ALA 21 HA ALA 21 8.549 -19.692 12.936 543 1HB ALA 21 1HB ALA 21 10.894 -19.859 14.575 544 2HB ALA 21 3HB ALA 21 9.208 -19.805 15.092 545 3HB ALA 21 2HB ALA 21 10.116 -18.307 14.887 546 H LEU 22 H LEU 22 11.468 -17.638 12.648 547 HA LEU 22 HA LEU 22 9.920 -15.170 12.458 548 1HB LEU 22 1HB LEU 22 12.096 -15.025 13.398 549 2HB LEU 22 2HB LEU 22 12.799 -16.033 12.139 550 HG LEU 22 HG LEU 22 12.663 -14.270 10.520 551 1HD1 LEU 22 1HD1 LEU 22 10.956 -12.867 12.588 552 2HD1 LEU 22 2HD1 LEU 22 11.645 -12.039 11.191 553 3HD1 LEU 22 3HD1 LEU 22 10.494 -13.355 10.958 554 1HD2 LEU 22 1HD2 LEU 22 14.365 -14.133 12.513 555 2HD2 LEU 22 2HD2 LEU 22 14.203 -12.756 11.422 556 3HD2 LEU 22 3HD2 LEU 22 13.406 -12.734 12.996 557 H GLN 23 H GLN 23 12.078 -16.832 10.138 558 HA GLN 23 HA GLN 23 11.499 -15.452 7.798 559 1HB GLN 23 1HB GLN 23 13.172 -17.200 7.976 560 2HB GLN 23 2HB GLN 23 11.936 -18.414 8.299 561 1HG GLN 23 1HG GLN 23 10.958 -17.918 6.033 562 2HG GLN 23 2HG GLN 23 12.341 -16.869 5.721 563 2HE2 GLN 23 2HE2 GLN 23 13.494 -18.108 4.177 564 1HE2 GLN 23 1HE2 GLN 23 14.052 -19.686 4.462 565 H GLN 24 H GLN 24 9.509 -17.928 9.380 566 HA GLN 24 HA GLN 24 7.609 -18.201 7.201 567 1HB GLN 24 1HB GLN 24 8.105 -19.850 9.046 568 2HB GLN 24 2HB GLN 24 7.288 -18.760 10.165 569 1HG GLN 24 1HG GLN 24 5.689 -19.257 7.778 570 2HG GLN 24 2HG GLN 24 6.073 -20.750 8.634 571 2HE2 GLN 24 2HE2 GLN 24 3.932 -18.105 8.607 572 1HE2 GLN 24 1HE2 GLN 24 3.301 -18.288 10.173 573 H LYS 25 H LYS 25 7.801 -16.204 10.131 574 HA LYS 25 HA LYS 25 5.127 -15.114 9.934 575 1HB LYS 25 1HB LYS 25 7.585 -14.813 11.513 576 2HB LYS 25 2HB LYS 25 6.706 -13.297 11.315 577 1HG LYS 25 2HG LYS 25 5.208 -13.961 12.854 578 2HG LYS 25 1HG LYS 25 4.796 -15.353 11.852 579 1HD LYS 25 1HD LYS 25 6.157 -16.781 13.031 580 2HD LYS 25 2HD LYS 25 7.334 -15.520 13.399 581 1HE LYS 25 1HE LYS 25 4.592 -15.362 14.629 582 2HE LYS 25 2HE LYS 25 5.814 -16.435 15.341 583 1HZ LYS 25 1HZ LYS 25 7.378 -14.557 15.304 584 2HZ LYS 25 2HZ LYS 25 6.140 -13.540 14.747 585 3HZ LYS 25 3HZ LYS 25 6.031 -14.243 16.290 586 H ILE 26 H ILE 26 8.350 -13.868 8.996 587 HA ILE 26 HA ILE 26 7.554 -11.353 7.972 588 HB ILE 26 HB ILE 26 9.714 -13.292 7.081 589 1HG1 ILE 26 1HG1 ILE 26 10.054 -10.883 8.862 590 2HG1 ILE 26 2HG1 ILE 26 9.542 -12.429 9.539 591 1HG2 ILE 26 1HG2 ILE 26 8.895 -10.952 5.816 592 2HG2 ILE 26 2HG2 ILE 26 10.250 -10.431 6.819 593 3HG2 ILE 26 3HG2 ILE 26 10.471 -11.723 5.639 594 1HD1 ILE 26 1HD1 ILE 26 11.887 -12.447 7.692 595 2HD1 ILE 26 2HD1 ILE 26 12.130 -11.791 9.312 596 3HD1 ILE 26 3HD1 ILE 26 11.565 -13.450 9.107 597 H HIS 27 H HIS 27 8.055 -14.390 6.121 598 HA HIS 27 HA HIS 27 7.123 -13.478 3.614 599 1HB HIS 27 1HB HIS 27 8.146 -15.761 4.632 600 2HB HIS 27 2HB HIS 27 6.455 -16.242 4.498 601 HD1 HIS 27 HD1 HIS 27 5.373 -16.108 2.078 602 HD2 HIS 27 HD2 HIS 27 9.504 -15.557 2.183 603 HE1 HIS 27 HE1 HIS 27 6.189 -16.358 -0.307 604 H GLU 28 H GLU 28 5.329 -14.470 6.477 605 HA GLU 28 HA GLU 28 2.755 -14.709 5.124 606 1HB GLU 28 1HB GLU 28 3.872 -15.493 7.511 607 2HB GLU 28 2HB GLU 28 2.841 -14.156 8.021 608 1HG GLU 28 2HG GLU 28 1.598 -16.286 8.072 609 2HG GLU 28 1HG GLU 28 0.922 -15.193 6.864 610 H LEU 29 H LEU 29 4.376 -12.210 7.090 611 HA LEU 29 HA LEU 29 2.114 -10.369 6.976 612 1HB LEU 29 1HB LEU 29 5.035 -10.143 7.758 613 2HB LEU 29 2HB LEU 29 3.875 -8.830 7.957 614 HG LEU 29 HG LEU 29 3.451 -11.592 9.118 615 1HD1 LEU 29 1HD1 LEU 29 5.429 -9.819 9.904 616 2HD1 LEU 29 2HD1 LEU 29 4.089 -9.416 10.977 617 3HD1 LEU 29 3HD1 LEU 29 4.711 -11.065 10.925 618 1HD2 LEU 29 1HD2 LEU 29 1.967 -9.046 9.029 619 2HD2 LEU 29 2HD2 LEU 29 1.378 -10.680 9.337 620 3HD2 LEU 29 3HD2 LEU 29 2.102 -9.742 10.644 621 H GLU 30 H GLU 30 5.260 -10.641 5.304 622 HA GLU 30 HA GLU 30 5.082 -8.246 3.762 623 1HB GLU 30 1HB GLU 30 7.084 -9.701 4.125 624 2HB GLU 30 2HB GLU 30 6.357 -10.913 3.072 625 1HG GLU 30 1HG GLU 30 6.248 -8.409 1.710 626 2HG GLU 30 2HG GLU 30 7.888 -8.614 2.325 627 H GLY 31 H GLY 31 3.858 -11.531 3.160 628 1HA GLY 31 2HA GLY 31 2.469 -12.355 1.449 629 2HA GLY 31 1HA GLY 31 2.975 -10.982 0.461 630 H LEU 32 H LEU 32 1.629 -10.433 3.632 631 HA LEU 32 HA LEU 32 -1.139 -10.161 2.828 632 1HB LEU 32 1HB LEU 32 0.205 -10.388 5.159 633 2HB LEU 32 2HB LEU 32 -0.020 -8.639 5.133 634 HG LEU 32 HG LEU 32 -2.450 -8.965 4.784 635 1HD1 LEU 32 1HD1 LEU 32 -1.538 -11.745 4.444 636 2HD1 LEU 32 2HD1 LEU 32 -2.952 -11.579 5.485 637 3HD1 LEU 32 3HD1 LEU 32 -2.993 -10.956 3.835 638 1HD2 LEU 32 1HD2 LEU 32 -0.929 -9.673 7.140 639 2HD2 LEU 32 2HD2 LEU 32 -2.480 -8.839 7.035 640 3HD2 LEU 32 3HD2 LEU 32 -2.429 -10.600 7.089 641 H MET 33 H MET 33 1.560 -7.862 3.225 642 HA MET 33 HA MET 33 0.192 -5.425 2.867 643 1HB MET 33 1HB MET 33 2.917 -6.526 2.410 644 2HB MET 33 2HB MET 33 2.556 -4.999 1.607 645 1HG MET 33 1HG MET 33 2.258 -3.857 3.606 646 2HG MET 33 2HG MET 33 1.808 -5.315 4.490 647 1HE MET 33 1HE MET 33 4.396 -4.506 1.988 648 2HE MET 33 2HE MET 33 5.044 -3.248 3.036 649 3HE MET 33 3HE MET 33 5.977 -4.717 2.755 650 H MET 34 H MET 34 1.645 -7.516 0.342 651 HA MET 34 HA MET 34 0.998 -6.027 -1.943 652 1HB MET 34 2HB MET 34 0.916 -9.030 -1.500 653 2HB MET 34 1HB MET 34 1.083 -8.236 -3.067 654 1HG MET 34 1HG MET 34 3.083 -7.017 -1.684 655 2HG MET 34 2HG MET 34 3.084 -8.605 -0.916 656 1HE MET 34 1HE MET 34 3.165 -6.596 -4.171 657 2HE MET 34 2HE MET 34 4.763 -6.628 -3.429 658 3HE MET 34 3HE MET 34 4.504 -7.374 -5.012 659 H GLN 35 H GLN 35 -1.061 -8.398 -0.227 660 HA GLN 35 HA GLN 35 -3.283 -8.470 -1.930 661 1HB GLN 35 1HB GLN 35 -3.029 -9.854 0.052 662 2HB GLN 35 2HB GLN 35 -3.083 -8.436 1.098 663 1HG GLN 35 2HG GLN 35 -5.317 -8.682 1.220 664 2HG GLN 35 1HG GLN 35 -5.406 -8.301 -0.499 665 2HE2 GLN 35 2HE2 GLN 35 -4.920 -11.072 1.741 666 1HE2 GLN 35 1HE2 GLN 35 -5.560 -12.235 0.682 667 H HIS 36 H HIS 36 -3.517 -6.548 1.058 668 HA HIS 36 HA HIS 36 -5.540 -4.805 0.171 669 1HB HIS 36 1HB HIS 36 -3.424 -4.854 2.264 670 2HB HIS 36 2HB HIS 36 -4.214 -3.304 1.979 671 HD1 HIS 36 HD1 HIS 36 -5.276 -3.702 4.433 672 HD2 HIS 36 HD2 HIS 36 -6.580 -6.304 1.449 673 HE1 HIS 36 HE1 HIS 36 -7.385 -4.797 5.310 674 H ALA 37 H ALA 37 -2.007 -4.196 0.211 675 HA ALA 37 HA ALA 37 -1.873 -1.636 -0.873 676 1HB ALA 37 1HB ALA 37 0.046 -2.961 -0.117 677 2HB ALA 37 3HB ALA 37 -0.186 -4.099 -1.444 678 3HB ALA 37 2HB ALA 37 0.325 -2.447 -1.780 679 H GLN 38 H GLN 38 -2.568 -4.676 -2.560 680 HA GLN 38 HA GLN 38 -2.478 -3.476 -5.230 681 1HB GLN 38 1HB GLN 38 -3.055 -6.098 -3.941 682 2HB GLN 38 2HB GLN 38 -3.801 -5.823 -5.516 683 1HG GLN 38 1HG GLN 38 -1.210 -4.893 -5.869 684 2HG GLN 38 2HG GLN 38 -0.995 -6.320 -4.854 685 2HE2 GLN 38 2HE2 GLN 38 -1.322 -5.345 -8.072 686 1HE2 GLN 38 1HE2 GLN 38 -1.795 -6.832 -8.742 687 H ASN 39 H ASN 39 -4.933 -4.241 -2.799 688 HA ASN 39 HA ASN 39 -7.122 -3.334 -4.591 689 1HB ASN 39 1HB ASN 39 -6.830 -4.743 -1.953 690 2HB ASN 39 2HB ASN 39 -8.367 -3.968 -2.342 691 2HD2 ASN 39 2HD2 ASN 39 -7.771 -6.908 -2.164 692 1HD2 ASN 39 1HD2 ASN 39 -8.181 -7.546 -3.683 693 H LEU 40 H LEU 40 -4.948 -1.557 -3.337 694 HA LEU 40 HA LEU 40 -4.822 0.583 -2.376 695 1HB LEU 40 2HB LEU 40 -7.770 0.485 -3.103 696 2HB LEU 40 1HB LEU 40 -6.842 1.952 -2.793 697 HG LEU 40 HG LEU 40 -5.245 0.983 -4.653 698 1HD1 LEU 40 1HD1 LEU 40 -7.697 -0.682 -4.823 699 2HD1 LEU 40 2HD1 LEU 40 -7.083 -0.059 -6.354 700 3HD1 LEU 40 3HD1 LEU 40 -6.048 -1.051 -5.327 701 1HD2 LEU 40 1HD2 LEU 40 -7.824 2.475 -4.860 702 2HD2 LEU 40 2HD2 LEU 40 -6.186 3.010 -5.235 703 3HD2 LEU 40 3HD2 LEU 40 -7.056 1.974 -6.365 704 H GLU 41 H GLU 41 -5.575 -1.785 -0.651 705 HA GLU 41 HA GLU 41 -7.146 -0.382 1.476 706 1HB GLU 41 1HB GLU 41 -6.487 -3.274 0.867 707 2HB GLU 41 2HB GLU 41 -7.261 -2.775 2.370 708 1HG GLU 41 1HG GLU 41 -8.420 -1.807 -0.214 709 2HG GLU 41 2HG GLU 41 -8.718 -3.478 0.265 710 H PHE 42 H PHE 42 -4.107 -0.289 0.687 711 HA PHE 42 HA PHE 42 -2.537 -1.470 2.715 712 1HB PHE 42 1HB PHE 42 -0.929 0.363 2.048 713 2HB PHE 42 2HB PHE 42 -1.574 -0.576 0.707 714 HD1 PHE 42 HD1 PHE 42 -2.442 2.505 2.718 715 HD2 PHE 42 HD2 PHE 42 -2.389 0.588 -1.153 716 HE1 PHE 42 HE1 PHE 42 -3.314 4.586 1.672 717 HE2 PHE 42 HE2 PHE 42 -3.246 2.673 -2.193 718 HZ PHE 42 HZ PHE 42 -3.708 4.674 -0.780 719 H GLU 43 H GLU 43 -4.855 1.050 3.109 720 HA GLU 43 HA GLU 43 -3.706 2.816 4.955 721 1HB GLU 43 1HB GLU 43 -6.000 2.965 4.095 722 2HB GLU 43 2HB GLU 43 -6.439 1.485 4.949 723 1HG GLU 43 1HG GLU 43 -5.647 2.735 7.081 724 2HG GLU 43 2HG GLU 43 -5.783 4.192 6.098 725 H GLU 44 H GLU 44 -5.623 -0.027 5.946 726 HA GLU 44 HA GLU 44 -4.261 -0.139 8.552 727 1HB GLU 44 1HB GLU 44 -5.851 -2.034 8.875 728 2HB GLU 44 2HB GLU 44 -6.669 -0.585 8.291 729 1HG GLU 44 1HG GLU 44 -7.029 -1.469 6.179 730 2HG GLU 44 2HG GLU 44 -5.631 -2.540 6.275 731 H ALA 45 H ALA 45 -3.904 -1.561 5.406 732 HA ALA 45 HA ALA 45 -2.542 -3.998 6.233 733 1HB ALA 45 1HB ALA 45 -3.516 -2.657 3.842 734 2HB ALA 45 3HB ALA 45 -1.921 -3.358 3.567 735 3HB ALA 45 2HB ALA 45 -3.247 -4.379 4.121 736 H ALA 46 H ALA 46 -1.402 -0.934 4.752 737 HA ALA 46 HA ALA 46 1.330 -1.511 4.572 738 1HB ALA 46 1HB ALA 46 1.528 1.026 4.965 739 2HB ALA 46 2HB ALA 46 0.473 0.505 3.651 740 3HB ALA 46 3HB ALA 46 -0.218 1.007 5.196 741 H GLN 47 H GLN 47 -0.581 -0.945 7.452 742 HA GLN 47 HA GLN 47 1.352 -0.098 9.314 743 1HB GLN 47 2HB GLN 47 -0.827 -2.181 9.665 744 2HB GLN 47 1HB GLN 47 -0.104 -1.210 10.946 745 1HG GLN 47 1HG GLN 47 -0.848 0.803 9.388 746 2HG GLN 47 2HG GLN 47 -2.008 -0.383 8.790 747 2HE2 GLN 47 2HE2 GLN 47 -3.596 -1.248 10.338 748 1HE2 GLN 47 1HE2 GLN 47 -3.908 -0.447 11.802 749 H ILE 48 H ILE 48 0.823 -3.313 7.916 750 HA ILE 48 HA ILE 48 2.420 -4.914 9.602 751 HB ILE 48 HB ILE 48 2.038 -4.913 6.588 752 1HG1 ILE 48 1HG1 ILE 48 0.689 -6.681 8.630 753 2HG1 ILE 48 2HG1 ILE 48 0.035 -5.095 8.222 754 1HG2 ILE 48 1HG2 ILE 48 3.051 -7.088 8.444 755 2HG2 ILE 48 2HG2 ILE 48 2.642 -7.324 6.744 756 3HG2 ILE 48 3HG2 ILE 48 3.985 -6.271 7.191 757 1HD1 ILE 48 1HD1 ILE 48 0.745 -7.033 6.035 758 2HD1 ILE 48 2HD1 ILE 48 -0.793 -7.187 6.886 759 3HD1 ILE 48 3HD1 ILE 48 -0.416 -5.706 6.007 760 H ARG 49 H ARG 49 3.322 -2.498 7.234 761 HA ARG 49 HA ARG 49 6.011 -3.103 6.680 762 1HB ARG 49 1HB ARG 49 4.879 -1.265 5.631 763 2HB ARG 49 2HB ARG 49 4.508 -0.520 7.181 764 1HG ARG 49 1HG ARG 49 7.339 -0.826 7.051 765 2HG ARG 49 2HG ARG 49 6.811 -0.120 5.525 766 1HD ARG 49 1HD ARG 49 7.277 1.626 7.259 767 2HD ARG 49 2HD ARG 49 5.577 1.639 6.750 768 HE ARG 49 HE ARG 49 5.045 0.337 8.806 769 1HH1 ARG 49 1HH1 ARG 49 8.382 0.500 8.657 770 2HH1 ARG 49 2HH1 ARG 49 8.611 1.040 10.286 771 1HH2 ARG 49 1HH2 ARG 49 5.236 1.584 10.861 772 2HH2 ARG 49 2HH2 ARG 49 6.830 1.654 11.534 773 H ASP 50 H ASP 50 4.579 -1.720 9.612 774 HA ASP 50 HA ASP 50 7.074 -1.037 10.907 775 1HB ASP 50 1HB ASP 50 4.528 -0.395 11.308 776 2HB ASP 50 2HB ASP 50 4.570 -1.795 12.381 777 H GLN 51 H GLN 51 5.049 -3.942 10.785 778 HA GLN 51 HA GLN 51 6.558 -5.354 12.857 779 1HB GLN 51 1HB GLN 51 4.634 -6.340 10.723 780 2HB GLN 51 2HB GLN 51 5.083 -7.201 12.195 781 1HG GLN 51 1HG GLN 51 4.032 -5.533 13.582 782 2HG GLN 51 2HG GLN 51 3.773 -4.470 12.197 783 2HE2 GLN 51 2HE2 GLN 51 3.156 -8.002 12.643 784 1HE2 GLN 51 1HE2 GLN 51 1.519 -7.918 12.202 785 H LEU 52 H LEU 52 6.442 -5.360 9.294 786 HA LEU 52 HA LEU 52 8.235 -7.529 8.831 787 1HB LEU 52 1HB LEU 52 6.943 -5.345 7.412 788 2HB LEU 52 2HB LEU 52 8.576 -5.613 6.799 789 HG LEU 52 HG LEU 52 6.933 -7.013 5.597 790 1HD1 LEU 52 1HD1 LEU 52 9.342 -7.771 6.296 791 2HD1 LEU 52 2HD1 LEU 52 8.490 -8.878 7.373 792 3HD1 LEU 52 3HD1 LEU 52 8.228 -8.966 5.632 793 1HD2 LEU 52 1HD2 LEU 52 5.617 -7.192 7.952 794 2HD2 LEU 52 2HD2 LEU 52 5.407 -8.367 6.653 795 3HD2 LEU 52 3HD2 LEU 52 6.495 -8.721 7.995 796 H HIS 53 H HIS 53 8.847 -4.035 9.248 797 HA HIS 53 HA HIS 53 11.672 -4.124 8.761 798 1HB HIS 53 1HB HIS 53 9.828 -2.205 9.043 799 2HB HIS 53 2HB HIS 53 10.451 -2.194 10.694 800 HD1 HIS 53 HD1 HIS 53 12.223 -2.559 7.326 801 HD2 HIS 53 HD2 HIS 53 12.367 -0.214 10.770 802 HE1 HIS 53 HE1 HIS 53 14.181 -0.980 7.036 803 H GLN 54 H GLN 54 9.753 -4.404 11.758 804 HA GLN 54 HA GLN 54 12.067 -4.591 13.504 805 1HB GLN 54 1HB GLN 54 9.346 -4.169 13.728 806 2HB GLN 54 2HB GLN 54 9.532 -5.797 14.384 807 1HG GLN 54 1HG GLN 54 11.074 -5.069 16.041 808 2HG GLN 54 2HG GLN 54 11.325 -3.520 15.236 809 2HE2 GLN 54 2HE2 GLN 54 8.131 -5.033 15.715 810 1HE2 GLN 54 1HE2 GLN 54 7.545 -3.845 16.776 811 H LEU 55 H LEU 55 9.834 -6.978 12.061 812 HA LEU 55 HA LEU 55 10.997 -9.289 13.322 813 1HB LEU 55 1HB LEU 55 9.140 -8.628 11.092 814 2HB LEU 55 2HB LEU 55 9.867 -10.235 11.050 815 HG LEU 55 HG LEU 55 9.134 -9.903 13.719 816 1HD1 LEU 55 1HD1 LEU 55 7.202 -8.556 11.852 817 2HD1 LEU 55 2HD1 LEU 55 6.593 -9.416 13.264 818 3HD1 LEU 55 3HD1 LEU 55 7.709 -8.067 13.469 819 1HD2 LEU 55 1HD2 LEU 55 7.955 -11.339 11.347 820 2HD2 LEU 55 2HD2 LEU 55 8.852 -12.010 12.710 821 3HD2 LEU 55 3HD2 LEU 55 7.191 -11.459 12.932 822 H ARG 56 H ARG 56 11.935 -7.355 10.570 823 HA ARG 56 HA ARG 56 13.569 -9.341 9.238 824 1HB ARG 56 1HB ARG 56 12.616 -7.254 8.241 825 2HB ARG 56 2HB ARG 56 13.720 -6.309 9.240 826 1HG ARG 56 1HG ARG 56 15.473 -8.045 8.108 827 2HG ARG 56 2HG ARG 56 14.278 -7.921 6.815 828 1HD ARG 56 1HD ARG 56 14.535 -5.530 6.687 829 2HD ARG 56 2HD ARG 56 15.502 -5.498 8.175 830 HE ARG 56 HE ARG 56 16.500 -7.153 5.919 831 1HH1 ARG 56 1HH1 ARG 56 18.545 -6.887 7.767 832 2HH1 ARG 56 2HH1 ARG 56 19.361 -5.405 7.394 833 1HH2 ARG 56 1HH2 ARG 56 16.752 -4.138 5.493 834 2HH2 ARG 56 2HH2 ARG 56 18.346 -3.849 6.107 835 H GLU 57 H GLU 57 14.444 -6.531 11.297 836 HA GLU 57 HA GLU 57 17.224 -7.080 11.484 837 1HB GLU 57 1HB GLU 57 17.023 -5.652 13.538 838 2HB GLU 57 2HB GLU 57 16.179 -4.974 12.145 839 1HG GLU 57 1HG GLU 57 14.071 -5.488 12.997 840 2HG GLU 57 2HG GLU 57 14.691 -6.784 14.021 841 H LEU 58 H LEU 58 14.500 -8.613 13.030 842 HA LEU 58 HA LEU 58 15.912 -9.752 15.286 843 1HB LEU 58 1HB LEU 58 13.304 -9.516 14.344 844 2HB LEU 58 2HB LEU 58 13.623 -11.247 14.234 845 HG LEU 58 HG LEU 58 14.332 -9.696 16.720 846 1HD1 LEU 58 1HD1 LEU 58 11.750 -9.818 15.761 847 2HD1 LEU 58 2HD1 LEU 58 11.834 -11.247 16.792 848 3HD1 LEU 58 3HD1 LEU 58 12.188 -9.654 17.462 849 1HD2 LEU 58 1HD2 LEU 58 15.176 -12.059 16.219 850 2HD2 LEU 58 2HD2 LEU 58 14.316 -11.859 17.747 851 3HD2 LEU 58 3HD2 LEU 58 13.498 -12.585 16.363 852 H PHE 59 H PHE 59 15.731 -10.557 11.908 853 HA PHE 59 HA PHE 59 16.110 -13.332 11.837 854 1HB PHE 59 1HB PHE 59 15.878 -11.691 9.936 855 2HB PHE 59 2HB PHE 59 17.568 -11.249 10.184 856 HD1 PHE 59 HD1 PHE 59 19.349 -13.105 10.061 857 HD2 PHE 59 HD2 PHE 59 15.296 -13.606 8.658 858 HE1 PHE 59 HE1 PHE 59 20.065 -15.061 8.690 859 HE2 PHE 59 HE2 PHE 59 16.011 -15.561 7.288 860 HZ PHE 59 HZ PHE 59 18.395 -16.289 7.304 861 H ILE 60 H ILE 60 18.568 -10.798 12.386 862 HA ILE 60 HA ILE 60 20.782 -12.669 12.584 863 HB ILE 60 HB ILE 60 20.376 -9.795 13.474 864 1HG1 ILE 60 1HG1 ILE 60 20.110 -10.150 11.053 865 2HG1 ILE 60 2HG1 ILE 60 21.612 -9.287 11.383 866 1HG2 ILE 60 1HG2 ILE 60 22.657 -11.665 13.692 867 2HG2 ILE 60 2HG2 ILE 60 23.051 -10.089 13.006 868 3HG2 ILE 60 3HG2 ILE 60 22.314 -10.195 14.605 869 1HD1 ILE 60 1HD1 ILE 60 22.562 -11.793 11.491 870 2HD1 ILE 60 2HD1 ILE 60 21.203 -12.072 10.403 871 3HD1 ILE 60 3HD1 ILE 60 22.451 -10.902 9.974 872 H ALA 61 H ALA 61 18.566 -11.146 14.897 873 HA ALA 61 HA ALA 61 19.960 -11.880 17.298 874 1HB ALA 61 1HB ALA 61 18.256 -10.201 17.343 875 2HB ALA 61 3HB ALA 61 17.084 -11.273 16.575 876 3HB ALA 61 2HB ALA 61 17.590 -11.567 18.239 877 H ALA 62 H ALA 62 17.982 -13.694 15.073 878 HA ALA 62 HA ALA 62 17.893 -15.985 17.009 879 1HB ALA 62 1HB ALA 62 16.213 -15.473 14.535 880 2HB ALA 62 3HB ALA 62 15.913 -16.675 15.791 881 3HB ALA 62 2HB ALA 62 15.746 -14.958 16.156 882 H SER 63 H SER 63 17.998 -15.430 13.460 883 HA SER 63 HA SER 63 19.164 -16.611 11.775 884 1HB SER 63 1HB SER 63 20.899 -15.627 13.556 885 2HB SER 63 2HB SER 63 21.207 -17.338 13.837 886 HG SER 63 HG SER 63 22.175 -15.868 11.923 No H/Q in entry = 886 Start of MODEL 6 1 H LEU 8 H LEU 8 -30.805 24.989 -27.011 2 HA LEU 8 HA LEU 8 -28.955 24.316 -25.511 3 1HB LEU 8 1HB LEU 8 -30.262 22.433 -27.369 4 2HB LEU 8 2HB LEU 8 -28.791 21.804 -26.625 5 HG LEU 8 HG LEU 8 -30.226 23.140 -24.577 6 1HD1 LEU 8 1HD1 LEU 8 -31.948 21.759 -26.557 7 2HD1 LEU 8 2HD1 LEU 8 -32.236 21.334 -24.869 8 3HD1 LEU 8 3HD1 LEU 8 -32.359 23.015 -25.388 9 1HD2 LEU 8 1HD2 LEU 8 -29.352 20.384 -25.280 10 2HD2 LEU 8 2HD2 LEU 8 -29.042 21.323 -23.820 11 3HD2 LEU 8 3HD2 LEU 8 -30.595 20.517 -24.037 12 H GLU 9 H GLU 9 -26.722 24.177 -25.370 13 HA GLU 9 HA GLU 9 -25.094 23.374 -27.688 14 1HB GLU 9 1HB GLU 9 -23.950 25.601 -27.748 15 2HB GLU 9 2HB GLU 9 -25.653 25.702 -28.199 16 1HG GLU 9 1HG GLU 9 -26.237 26.831 -26.285 17 2HG GLU 9 2HG GLU 9 -25.011 26.021 -25.309 18 HA PRO 10 HA PRO 10 -23.337 23.010 -23.314 19 1HB PRO 10 1HB PRO 10 -23.552 20.298 -23.019 20 2HB PRO 10 2HB PRO 10 -24.826 21.427 -22.516 21 1HG PRO 10 2HG PRO 10 -24.650 19.740 -24.959 22 2HG PRO 10 1HG PRO 10 -26.057 20.140 -23.961 23 1HD PRO 10 1HD PRO 10 -25.505 21.334 -26.356 24 2HD PRO 10 2HD PRO 10 -26.432 22.112 -25.055 25 H ASP 11 H ASP 11 -23.063 20.575 -25.927 26 HA ASP 11 HA ASP 11 -21.169 19.694 -27.020 27 1HB ASP 11 1HB ASP 11 -20.674 22.475 -26.352 28 2HB ASP 11 2HB ASP 11 -19.167 21.558 -26.338 29 H ASN 12 H ASN 12 -19.357 21.287 -24.422 30 HA ASN 12 HA ASN 12 -19.027 18.757 -22.934 31 1HB ASN 12 1HB ASN 12 -17.473 18.943 -25.037 32 2HB ASN 12 2HB ASN 12 -16.571 20.095 -24.053 33 2HD2 ASN 12 2HD2 ASN 12 -16.385 19.101 -21.588 34 1HD2 ASN 12 1HD2 ASN 12 -15.784 17.514 -21.556 35 H VAL 13 H VAL 13 -19.821 21.719 -22.582 36 HA VAL 13 HA VAL 13 -17.751 22.779 -20.797 37 HB VAL 13 HB VAL 13 -20.385 23.607 -21.952 38 1HG1 VAL 13 1HG1 VAL 13 -19.333 24.523 -19.318 39 2HG1 VAL 13 2HG1 VAL 13 -19.875 25.782 -20.430 40 3HG1 VAL 13 3HG1 VAL 13 -20.990 24.513 -19.924 41 1HG2 VAL 13 1HG2 VAL 13 -18.037 24.023 -22.906 42 2HG2 VAL 13 2HG2 VAL 13 -19.113 25.417 -22.799 43 3HG2 VAL 13 3HG2 VAL 13 -17.842 25.190 -21.598 44 HA PRO 14 HA PRO 14 -20.973 21.862 -17.420 45 1HB PRO 14 1HB PRO 14 -23.307 20.602 -18.078 46 2HB PRO 14 2HB PRO 14 -23.118 22.366 -18.127 47 1HG PRO 14 2HG PRO 14 -23.081 20.397 -20.352 48 2HG PRO 14 1HG PRO 14 -23.738 22.040 -20.304 49 1HD PRO 14 1HD PRO 14 -21.346 21.372 -21.463 50 2HD PRO 14 2HD PRO 14 -21.748 22.985 -20.845 51 H MET 15 H MET 15 -21.516 19.329 -19.899 52 HA MET 15 HA MET 15 -21.119 17.006 -19.818 53 1HB MET 15 1HB MET 15 -18.852 18.378 -19.217 54 2HB MET 15 2HB MET 15 -19.020 17.403 -17.755 55 1HG MET 15 1HG MET 15 -17.785 15.986 -19.153 56 2HG MET 15 2HG MET 15 -19.436 15.433 -19.426 57 1HE MET 15 1HE MET 15 -19.017 14.296 -21.429 58 2HE MET 15 2HE MET 15 -18.425 14.926 -22.964 59 3HE MET 15 3HE MET 15 -17.298 14.661 -21.636 60 H ASP 16 H ASP 16 -20.298 15.363 -17.684 61 HA ASP 16 HA ASP 16 -21.835 15.963 -15.270 62 1HB ASP 16 1HB ASP 16 -22.925 14.405 -17.557 63 2HB ASP 16 2HB ASP 16 -23.222 13.738 -15.951 64 H MET 17 H MET 17 -19.415 15.404 -14.830 65 HA MET 17 HA MET 17 -19.250 12.817 -13.596 66 1HB MET 17 1HB MET 17 -17.520 11.880 -15.203 67 2HB MET 17 2HB MET 17 -19.149 11.983 -15.865 68 1HG MET 17 1HG MET 17 -18.497 14.240 -16.835 69 2HG MET 17 2HG MET 17 -16.836 13.869 -16.370 70 1HE MET 17 1HE MET 17 -15.659 13.866 -18.028 71 2HE MET 17 2HE MET 17 -15.490 12.647 -19.289 72 3HE MET 17 3HE MET 17 -16.511 14.056 -19.567 73 H SER 18 H SER 18 -17.322 15.352 -15.211 74 HA SER 18 HA SER 18 -15.982 16.160 -12.799 75 1HB SER 18 1HB SER 18 -13.703 15.192 -13.720 76 2HB SER 18 2HB SER 18 -14.779 14.152 -12.792 77 HG SER 18 HG SER 18 -14.512 12.971 -14.553 78 HA PRO 19 HA PRO 19 -15.308 19.297 -15.878 79 1HB PRO 19 1HB PRO 19 -14.211 21.192 -14.245 80 2HB PRO 19 2HB PRO 19 -15.948 20.833 -14.286 81 1HG PRO 19 1HG PRO 19 -13.914 20.088 -12.283 82 2HG PRO 19 2HG PRO 19 -15.644 20.386 -12.081 83 1HD PRO 19 1HD PRO 19 -14.413 17.881 -12.183 84 2HD PRO 19 2HD PRO 19 -16.151 18.200 -12.356 85 H LYS 20 H LYS 20 -13.419 17.326 -16.125 86 HA LYS 20 HA LYS 20 -11.233 16.984 -16.930 87 1HB LYS 20 1HB LYS 20 -11.912 19.242 -17.966 88 2HB LYS 20 2HB LYS 20 -10.916 19.981 -16.712 89 1HG LYS 20 1HG LYS 20 -9.722 17.742 -18.286 90 2HG LYS 20 2HG LYS 20 -9.892 19.305 -19.085 91 1HD LYS 20 1HD LYS 20 -8.878 20.136 -16.730 92 2HD LYS 20 2HD LYS 20 -8.157 18.528 -16.798 93 1HE LYS 20 1HE LYS 20 -7.816 19.511 -19.391 94 2HE LYS 20 2HE LYS 20 -7.474 20.906 -18.347 95 1HZ LYS 20 1HZ LYS 20 -6.131 19.353 -16.947 96 2HZ LYS 20 2HZ LYS 20 -6.292 18.189 -18.169 97 3HZ LYS 20 3HZ LYS 20 -5.480 19.647 -18.489 98 H ALA 21 H ALA 21 -10.810 19.822 -14.776 99 HA ALA 21 HA ALA 21 -8.351 19.223 -13.658 100 1HB ALA 21 1HB ALA 21 -9.445 21.263 -13.134 101 2HB ALA 21 3HB ALA 21 -10.875 20.430 -12.524 102 3HB ALA 21 2HB ALA 21 -9.375 20.398 -11.598 103 H LEU 22 H LEU 22 -11.499 17.984 -12.492 104 HA LEU 22 HA LEU 22 -10.246 16.348 -10.408 105 1HB LEU 22 1HB LEU 22 -13.023 16.675 -11.568 106 2HB LEU 22 2HB LEU 22 -12.676 15.510 -10.289 107 HG LEU 22 HG LEU 22 -11.640 17.465 -8.996 108 1HD1 LEU 22 1HD1 LEU 22 -12.805 18.823 -11.387 109 2HD1 LEU 22 2HD1 LEU 22 -12.927 19.647 -9.832 110 3HD1 LEU 22 3HD1 LEU 22 -11.345 19.213 -10.481 111 1HD2 LEU 22 1HD2 LEU 22 -14.021 16.415 -8.768 112 2HD2 LEU 22 2HD2 LEU 22 -13.715 17.976 -8.005 113 3HD2 LEU 22 3HD2 LEU 22 -14.573 17.900 -9.545 114 H GLN 23 H GLN 23 -11.809 15.778 -13.552 115 HA GLN 23 HA GLN 23 -11.799 12.982 -13.672 116 1HB GLN 23 1HB GLN 23 -12.617 14.784 -15.319 117 2HB GLN 23 2HB GLN 23 -10.969 14.790 -15.949 118 1HG GLN 23 1HG GLN 23 -11.113 12.406 -16.458 119 2HG GLN 23 2HG GLN 23 -12.722 12.325 -15.739 120 2HE2 GLN 23 2HE2 GLN 23 -11.453 14.942 -17.833 121 1HE2 GLN 23 1HE2 GLN 23 -12.578 14.703 -19.081 122 H GLN 24 H GLN 24 -9.090 15.196 -14.410 123 HA GLN 24 HA GLN 24 -7.272 13.002 -15.079 124 1HB GLN 24 1HB GLN 24 -7.417 15.561 -15.789 125 2HB GLN 24 2HB GLN 24 -6.389 15.777 -14.372 126 1HG GLN 24 2HG GLN 24 -5.010 15.455 -16.380 127 2HG GLN 24 1HG GLN 24 -4.811 14.093 -15.275 128 2HE2 GLN 24 2HE2 GLN 24 -4.995 12.084 -16.266 129 1HE2 GLN 24 1HE2 GLN 24 -5.862 11.772 -17.691 130 H LYS 25 H LYS 25 -7.662 15.243 -12.314 131 HA LYS 25 HA LYS 25 -5.435 14.299 -10.789 132 1HB LYS 25 1HB LYS 25 -7.874 15.922 -10.446 133 2HB LYS 25 2HB LYS 25 -7.294 15.172 -8.960 134 1HG LYS 25 2HG LYS 25 -6.199 17.311 -9.150 135 2HG LYS 25 1HG LYS 25 -4.995 16.072 -9.509 136 1HD LYS 25 1HD LYS 25 -5.943 16.464 -11.996 137 2HD LYS 25 2HD LYS 25 -6.263 18.063 -11.323 138 1HE LYS 25 1HE LYS 25 -4.063 18.605 -11.390 139 2HE LYS 25 2HE LYS 25 -3.611 17.098 -10.569 140 1HZ LYS 25 1HZ LYS 25 -4.085 15.944 -12.716 141 2HZ LYS 25 2HZ LYS 25 -4.205 17.471 -13.453 142 3HZ LYS 25 3HZ LYS 25 -2.737 16.977 -12.761 143 H ILE 26 H ILE 26 -8.793 13.167 -11.017 144 HA ILE 26 HA ILE 26 -8.584 11.305 -8.792 145 HB ILE 26 HB ILE 26 -10.487 11.561 -11.142 146 1HG1 ILE 26 1HG1 ILE 26 -10.876 12.396 -8.257 147 2HG1 ILE 26 2HG1 ILE 26 -10.258 13.497 -9.490 148 1HG2 ILE 26 1HG2 ILE 26 -10.196 9.414 -9.367 149 2HG2 ILE 26 2HG2 ILE 26 -11.540 10.351 -8.714 150 3HG2 ILE 26 3HG2 ILE 26 -11.604 9.756 -10.373 151 1HD1 ILE 26 1HD1 ILE 26 -12.787 11.965 -10.016 152 2HD1 ILE 26 2HD1 ILE 26 -12.843 13.411 -9.008 153 3HD1 ILE 26 3HD1 ILE 26 -12.269 13.517 -10.673 154 H HIS 27 H HIS 27 -8.664 10.863 -12.353 155 HA HIS 27 HA HIS 27 -8.172 8.042 -12.313 156 1HB HIS 27 1HB HIS 27 -8.023 10.313 -14.252 157 2HB HIS 27 2HB HIS 27 -7.264 8.790 -14.718 158 HD1 HIS 27 HD1 HIS 27 -8.805 6.738 -15.076 159 HD2 HIS 27 HD2 HIS 27 -10.867 10.203 -14.016 160 HE1 HIS 27 HE1 HIS 27 -11.260 6.265 -15.486 161 H GLU 28 H GLU 28 -6.044 10.794 -11.962 162 HA GLU 28 HA GLU 28 -3.591 9.340 -12.624 163 1HB GLU 28 1HB GLU 28 -4.387 12.027 -11.542 164 2HB GLU 28 2HB GLU 28 -2.700 11.523 -11.435 165 1HG GLU 28 1HG GLU 28 -4.151 11.223 -14.045 166 2HG GLU 28 2HG GLU 28 -3.551 12.814 -13.572 167 H LEU 29 H LEU 29 -4.764 10.815 -9.567 168 HA LEU 29 HA LEU 29 -2.886 9.645 -7.825 169 1HB LEU 29 1HB LEU 29 -5.535 10.909 -7.724 170 2HB LEU 29 2HB LEU 29 -5.249 9.795 -6.386 171 HG LEU 29 HG LEU 29 -2.886 11.036 -6.341 172 1HD1 LEU 29 1HD1 LEU 29 -3.904 12.430 -8.369 173 2HD1 LEU 29 2HD1 LEU 29 -4.618 13.370 -7.058 174 3HD1 LEU 29 3HD1 LEU 29 -2.865 13.199 -7.168 175 1HD2 LEU 29 1HD2 LEU 29 -5.221 11.082 -4.826 176 2HD2 LEU 29 2HD2 LEU 29 -3.673 11.781 -4.353 177 3HD2 LEU 29 3HD2 LEU 29 -4.895 12.788 -5.131 178 H GLU 30 H GLU 30 -5.795 8.246 -9.253 179 HA GLU 30 HA GLU 30 -6.031 5.966 -7.520 180 1HB GLU 30 1HB GLU 30 -7.627 7.027 -9.285 181 2HB GLU 30 2HB GLU 30 -6.753 6.030 -10.448 182 1HG GLU 30 1HG GLU 30 -7.535 4.559 -8.034 183 2HG GLU 30 2HG GLU 30 -8.912 5.191 -8.938 184 H GLY 31 H GLY 31 -4.662 6.184 -10.834 185 1HA GLY 31 2HA GLY 31 -3.023 4.874 -11.884 186 2HA GLY 31 1HA GLY 31 -3.576 3.552 -10.857 187 H LEU 32 H LEU 32 -2.472 6.463 -9.319 188 HA LEU 32 HA LEU 32 0.319 5.644 -9.056 189 1HB LEU 32 1HB LEU 32 -1.089 7.970 -8.879 190 2HB LEU 32 2HB LEU 32 -0.895 7.584 -7.168 191 HG LEU 32 HG LEU 32 1.563 7.270 -7.586 192 1HD1 LEU 32 1HD1 LEU 32 0.621 7.726 -10.326 193 2HD1 LEU 32 2HD1 LEU 32 1.994 8.743 -9.889 194 3HD1 LEU 32 3HD1 LEU 32 2.123 6.989 -9.763 195 1HD2 LEU 32 1HD2 LEU 32 0.606 9.406 -6.720 196 2HD2 LEU 32 2HD2 LEU 32 2.057 9.665 -7.687 197 3HD2 LEU 32 3HD2 LEU 32 0.467 9.987 -8.380 198 H MET 33 H MET 33 -2.642 5.137 -7.252 199 HA MET 33 HA MET 33 -1.550 4.511 -4.687 200 1HB MET 33 1HB MET 33 -4.043 4.307 -6.178 201 2HB MET 33 2HB MET 33 -3.820 2.919 -5.113 202 1HG MET 33 1HG MET 33 -3.880 4.202 -3.196 203 2HG MET 33 2HG MET 33 -3.217 5.623 -4.003 204 1HE MET 33 1HE MET 33 -5.755 3.069 -4.476 205 2HE MET 33 2HE MET 33 -6.906 3.731 -3.309 206 3HE MET 33 3HE MET 33 -7.227 3.860 -5.036 207 H MET 34 H MET 34 -2.252 2.426 -7.507 208 HA MET 34 HA MET 34 -1.272 0.015 -6.169 209 1HB MET 34 1HB MET 34 -3.078 0.068 -7.872 210 2HB MET 34 2HB MET 34 -1.917 0.638 -9.070 211 1HG MET 34 1HG MET 34 -1.404 -1.507 -9.517 212 2HG MET 34 2HG MET 34 -0.741 -1.639 -7.889 213 1HE MET 34 1HE MET 34 -3.129 -0.973 -6.193 214 2HE MET 34 2HE MET 34 -3.971 -2.479 -5.835 215 3HE MET 34 3HE MET 34 -2.213 -2.416 -5.737 216 H GLN 35 H GLN 35 0.034 2.419 -8.410 217 HA GLN 35 HA GLN 35 2.284 1.106 -9.440 218 1HB GLN 35 1HB GLN 35 1.567 3.348 -10.073 219 2HB GLN 35 2HB GLN 35 1.922 3.953 -8.456 220 1HG GLN 35 2HG GLN 35 3.990 4.450 -9.209 221 2HG GLN 35 1HG GLN 35 4.294 2.714 -9.269 222 2HE2 GLN 35 2HE2 GLN 35 3.188 5.476 -11.249 223 1HE2 GLN 35 1HE2 GLN 35 3.514 4.743 -12.744 224 H HIS 36 H HIS 36 2.757 3.442 -6.790 225 HA HIS 36 HA HIS 36 5.195 2.373 -5.864 226 1HB HIS 36 1HB HIS 36 2.973 4.025 -4.689 227 2HB HIS 36 2HB HIS 36 4.360 3.584 -3.693 228 HD1 HIS 36 HD1 HIS 36 3.605 6.515 -4.898 229 HD2 HIS 36 HD2 HIS 36 6.592 3.937 -6.244 230 HE1 HIS 36 HE1 HIS 36 5.294 7.953 -6.120 231 H ALA 37 H ALA 37 1.909 1.782 -4.530 232 HA ALA 37 HA ALA 37 2.492 0.024 -2.440 233 1HB ALA 37 1HB ALA 37 0.274 -0.149 -4.512 234 2HB ALA 37 2HB ALA 37 0.227 -0.861 -2.899 235 3HB ALA 37 3HB ALA 37 0.263 0.892 -3.089 236 H GLN 38 H GLN 38 2.342 -0.691 -5.930 237 HA GLN 38 HA GLN 38 2.673 -3.548 -5.701 238 1HB GLN 38 1HB GLN 38 2.815 -1.414 -7.774 239 2HB GLN 38 2HB GLN 38 3.651 -2.921 -8.151 240 1HG GLN 38 1HG GLN 38 1.603 -4.197 -7.712 241 2HG GLN 38 2HG GLN 38 0.757 -2.713 -7.271 242 2HE2 GLN 38 2HE2 GLN 38 1.471 -0.923 -9.243 243 1HE2 GLN 38 1HE2 GLN 38 1.016 -1.499 -10.773 244 H ASN 39 H ASN 39 4.900 -0.810 -5.860 245 HA ASN 39 HA ASN 39 7.266 -2.596 -5.943 246 1HB ASN 39 1HB ASN 39 6.836 0.409 -5.934 247 2HB ASN 39 2HB ASN 39 8.428 -0.348 -6.018 248 2HD2 ASN 39 2HD2 ASN 39 8.827 0.428 -8.208 249 1HD2 ASN 39 1HD2 ASN 39 7.988 -0.204 -9.540 250 H LEU 40 H LEU 40 5.259 -2.179 -3.584 251 HA LEU 40 HA LEU 40 5.380 -2.085 -1.247 252 1HB LEU 40 1HB LEU 40 8.116 -2.919 -2.186 253 2HB LEU 40 2HB LEU 40 7.811 -2.697 -0.464 254 HG LEU 40 HG LEU 40 5.695 -4.184 -0.939 255 1HD1 LEU 40 1HD1 LEU 40 7.297 -4.378 -3.414 256 2HD1 LEU 40 2HD1 LEU 40 6.796 -5.928 -2.738 257 3HD1 LEU 40 3HD1 LEU 40 5.585 -4.713 -3.152 258 1HD2 LEU 40 1HD2 LEU 40 8.004 -4.651 0.297 259 2HD2 LEU 40 2HD2 LEU 40 6.876 -5.967 -0.033 260 3HD2 LEU 40 3HD2 LEU 40 8.268 -5.714 -1.086 261 H GLU 41 H GLU 41 6.040 0.391 -2.936 262 HA GLU 41 HA GLU 41 8.007 1.936 -1.482 263 1HB GLU 41 1HB GLU 41 5.860 2.339 -3.509 264 2HB GLU 41 2HB GLU 41 6.368 3.771 -2.613 265 1HG GLU 41 1HG GLU 41 8.281 1.891 -4.026 266 2HG GLU 41 2HG GLU 41 7.678 3.394 -4.725 267 H PHE 42 H PHE 42 4.457 1.731 -1.361 268 HA PHE 42 HA PHE 42 2.922 2.468 0.267 269 1HB PHE 42 1HB PHE 42 5.291 1.228 1.588 270 2HB PHE 42 2HB PHE 42 4.130 2.041 2.636 271 HD1 PHE 42 HD1 PHE 42 1.556 1.561 1.298 272 HD2 PHE 42 HD2 PHE 42 4.923 -1.088 1.845 273 HE1 PHE 42 HE1 PHE 42 0.034 -0.406 1.147 274 HE2 PHE 42 HE2 PHE 42 3.397 -3.054 1.694 275 HZ PHE 42 HZ PHE 42 0.952 -2.710 1.348 276 H GLU 43 H GLU 43 2.936 3.818 2.479 277 HA GLU 43 HA GLU 43 3.171 5.894 3.526 278 1HB GLU 43 1HB GLU 43 5.547 5.321 3.649 279 2HB GLU 43 2HB GLU 43 5.789 5.826 1.980 280 1HG GLU 43 1HG GLU 43 4.941 8.117 2.663 281 2HG GLU 43 2HG GLU 43 5.065 7.568 4.337 282 H GLU 44 H GLU 44 4.583 6.226 0.302 283 HA GLU 44 HA GLU 44 3.089 8.701 -0.218 284 1HB GLU 44 1HB GLU 44 4.392 8.677 -2.288 285 2HB GLU 44 2HB GLU 44 5.449 8.262 -0.939 286 1HG GLU 44 1HG GLU 44 5.233 5.876 -1.470 287 2HG GLU 44 2HG GLU 44 4.111 6.252 -2.777 288 H ALA 45 H ALA 45 2.946 5.282 -1.140 289 HA ALA 45 HA ALA 45 0.891 5.688 -3.187 290 1HB ALA 45 1HB ALA 45 1.310 3.027 -1.969 291 2HB ALA 45 3HB ALA 45 2.769 3.797 -2.591 292 3HB ALA 45 2HB ALA 45 1.397 3.514 -3.662 293 H ALA 46 H ALA 46 0.934 4.352 0.134 294 HA ALA 46 HA ALA 46 -1.916 3.803 0.152 295 1HB ALA 46 1HB ALA 46 0.009 2.733 1.474 296 2HB ALA 46 3HB ALA 46 -0.084 4.145 2.530 297 3HB ALA 46 2HB ALA 46 -1.473 3.069 2.369 298 H GLN 47 H GLN 47 -0.013 6.654 0.778 299 HA GLN 47 HA GLN 47 -1.965 7.957 2.517 300 1HB GLN 47 1HB GLN 47 0.559 8.640 1.061 301 2HB GLN 47 2HB GLN 47 -0.455 9.966 1.630 302 1HG GLN 47 1HG GLN 47 0.236 7.700 3.484 303 2HG GLN 47 2HG GLN 47 1.384 9.015 3.229 304 2HE2 GLN 47 2HE2 GLN 47 0.822 9.351 5.668 305 1HE2 GLN 47 1HE2 GLN 47 -0.507 10.350 6.010 306 H ILE 48 H ILE 48 -1.601 7.528 -0.913 307 HA ILE 48 HA ILE 48 -3.045 9.873 -1.791 308 HB ILE 48 HB ILE 48 -2.521 7.149 -3.022 309 1HG1 ILE 48 1HG1 ILE 48 -1.160 9.770 -3.650 310 2HG1 ILE 48 2HG1 ILE 48 -0.589 8.732 -2.342 311 1HG2 ILE 48 1HG2 ILE 48 -4.316 9.125 -3.887 312 2HG2 ILE 48 2HG2 ILE 48 -2.872 9.361 -4.872 313 3HG2 ILE 48 3HG2 ILE 48 -3.677 7.792 -4.848 314 1HD1 ILE 48 1HD1 ILE 48 -0.854 6.900 -4.332 315 2HD1 ILE 48 2HD1 ILE 48 -0.436 8.332 -5.274 316 3HD1 ILE 48 3HD1 ILE 48 0.647 7.766 -4.001 317 H ARG 49 H ARG 49 -4.028 6.662 -0.695 318 HA ARG 49 HA ARG 49 -6.641 6.492 -1.736 319 1HB ARG 49 2HB ARG 49 -7.035 5.026 0.185 320 2HB ARG 49 1HB ARG 49 -5.391 4.780 -0.402 321 1HG ARG 49 2HG ARG 49 -4.890 5.042 1.821 322 2HG ARG 49 1HG ARG 49 -4.921 6.750 1.379 323 1HD ARG 49 1HD ARG 49 -7.527 6.477 1.893 324 2HD ARG 49 2HD ARG 49 -6.932 5.162 2.927 325 HE ARG 49 HE ARG 49 -5.368 7.612 3.193 326 1HH1 ARG 49 1HH1 ARG 49 -8.570 6.738 3.839 327 2HH1 ARG 49 2HH1 ARG 49 -8.514 7.140 5.522 328 1HH2 ARG 49 1HH2 ARG 49 -5.103 7.762 5.532 329 2HH2 ARG 49 2HH2 ARG 49 -6.552 7.719 6.481 330 H ASP 50 H ASP 50 -5.370 8.557 0.800 331 HA ASP 50 HA ASP 50 -7.969 9.338 1.874 332 1HB ASP 50 1HB ASP 50 -5.301 9.476 2.618 333 2HB ASP 50 2HB ASP 50 -5.690 11.154 2.238 334 H GLN 51 H GLN 51 -5.632 10.708 -0.441 335 HA GLN 51 HA GLN 51 -7.122 13.167 -0.872 336 1HB GLN 51 2HB GLN 51 -5.034 11.735 -2.550 337 2HB GLN 51 1HB GLN 51 -5.484 13.435 -2.692 338 1HG GLN 51 1HG GLN 51 -4.580 13.966 -0.561 339 2HG GLN 51 2HG GLN 51 -4.487 12.269 -0.090 340 2HE2 GLN 51 2HE2 GLN 51 -3.495 13.456 -3.293 341 1HE2 GLN 51 1HE2 GLN 51 -1.841 13.135 -3.087 342 H LEU 52 H LEU 52 -6.833 10.072 -2.630 343 HA LEU 52 HA LEU 52 -8.513 10.771 -4.845 344 1HB LEU 52 1HB LEU 52 -6.870 8.773 -4.330 345 2HB LEU 52 2HB LEU 52 -8.320 8.002 -3.688 346 HG LEU 52 HG LEU 52 -8.017 7.417 -6.057 347 1HD1 LEU 52 1HD1 LEU 52 -10.323 7.974 -4.949 348 2HD1 LEU 52 2HD1 LEU 52 -10.284 9.395 -5.994 349 3HD1 LEU 52 3HD1 LEU 52 -10.242 7.780 -6.699 350 1HD2 LEU 52 1HD2 LEU 52 -7.216 10.133 -6.241 351 2HD2 LEU 52 2HD2 LEU 52 -7.273 8.942 -7.542 352 3HD2 LEU 52 3HD2 LEU 52 -8.670 9.971 -7.227 353 H HIS 53 H HIS 53 -9.216 9.361 -1.655 354 HA HIS 53 HA HIS 53 -12.027 8.868 -2.203 355 1HB HIS 53 1HB HIS 53 -10.148 8.870 0.131 356 2HB HIS 53 2HB HIS 53 -11.881 8.867 0.461 357 HD1 HIS 53 HD1 HIS 53 -10.250 7.120 -2.475 358 HD2 HIS 53 HD2 HIS 53 -12.141 6.148 1.111 359 HE1 HIS 53 HE1 HIS 53 -10.587 4.610 -2.500 360 H GLN 54 H GLN 54 -10.170 11.539 -0.790 361 HA GLN 54 HA GLN 54 -12.551 13.021 0.057 362 1HB GLN 54 1HB GLN 54 -10.069 12.984 0.932 363 2HB GLN 54 2HB GLN 54 -9.800 14.172 -0.345 364 1HG GLN 54 1HG GLN 54 -11.191 15.753 0.644 365 2HG GLN 54 2HG GLN 54 -12.129 14.536 1.510 366 2HE2 GLN 54 2HE2 GLN 54 -9.011 16.275 1.522 367 1HE2 GLN 54 1HE2 GLN 54 -8.647 15.947 3.147 368 H LEU 55 H LEU 55 -10.403 12.959 -2.745 369 HA LEU 55 HA LEU 55 -11.064 15.432 -3.954 370 1HB LEU 55 1HB LEU 55 -9.977 12.793 -4.710 371 2HB LEU 55 2HB LEU 55 -10.680 13.705 -6.046 372 HG LEU 55 HG LEU 55 -8.954 15.261 -4.208 373 1HD1 LEU 55 1HD1 LEU 55 -7.994 12.787 -4.898 374 2HD1 LEU 55 2HD1 LEU 55 -7.420 13.773 -6.242 375 3HD1 LEU 55 3HD1 LEU 55 -6.979 14.197 -4.588 376 1HD2 LEU 55 1HD2 LEU 55 -9.372 15.012 -7.196 377 2HD2 LEU 55 2HD2 LEU 55 -9.832 16.356 -6.149 378 3HD2 LEU 55 3HD2 LEU 55 -8.131 16.050 -6.497 379 H ARG 56 H ARG 56 -12.852 12.383 -3.887 380 HA ARG 56 HA ARG 56 -14.681 12.862 -6.001 381 1HB ARG 56 1HB ARG 56 -16.004 11.168 -4.869 382 2HB ARG 56 2HB ARG 56 -14.300 10.763 -4.671 383 1HG ARG 56 2HG ARG 56 -14.936 10.544 -2.477 384 2HG ARG 56 1HG ARG 56 -14.628 12.282 -2.473 385 1HD ARG 56 1HD ARG 56 -16.816 12.734 -2.086 386 2HD ARG 56 2HD ARG 56 -17.324 11.680 -3.421 387 HE ARG 56 HE ARG 56 -16.931 10.831 -0.609 388 1HH1 ARG 56 1HH1 ARG 56 -16.184 9.315 -3.425 389 2HH1 ARG 56 2HH1 ARG 56 -17.379 8.066 -3.316 390 1HH2 ARG 56 1HH2 ARG 56 -19.059 9.538 -0.664 391 2HH2 ARG 56 2HH2 ARG 56 -19.007 8.192 -1.754 392 H GLU 57 H GLU 57 -14.443 14.326 -2.847 393 HA GLU 57 HA GLU 57 -17.197 15.295 -2.735 394 1HB GLU 57 2HB GLU 57 -14.684 16.199 -1.286 395 2HB GLU 57 1HB GLU 57 -16.347 16.489 -0.772 396 1HG GLU 57 1HG GLU 57 -16.719 14.089 -0.498 397 2HG GLU 57 2HG GLU 57 -15.100 13.746 -1.107 398 H LEU 58 H LEU 58 -14.049 16.622 -3.721 399 HA LEU 58 HA LEU 58 -14.770 19.335 -4.091 400 1HB LEU 58 1HB LEU 58 -12.701 17.436 -4.917 401 2HB LEU 58 2HB LEU 58 -12.974 18.696 -6.120 402 HG LEU 58 HG LEU 58 -12.666 19.370 -3.195 403 1HD1 LEU 58 1HD1 LEU 58 -10.681 18.051 -4.012 404 2HD1 LEU 58 2HD1 LEU 58 -10.440 19.282 -5.251 405 3HD1 LEU 58 3HD1 LEU 58 -10.294 19.707 -3.545 406 1HD2 LEU 58 1HD2 LEU 58 -12.804 20.796 -5.797 407 2HD2 LEU 58 2HD2 LEU 58 -13.325 21.323 -4.198 408 3HD2 LEU 58 3HD2 LEU 58 -11.622 21.415 -4.645 409 H PHE 59 H PHE 59 -15.702 16.517 -5.901 410 HA PHE 59 HA PHE 59 -16.181 17.462 -8.488 411 1HB PHE 59 1HB PHE 59 -16.541 15.163 -7.728 412 2HB PHE 59 2HB PHE 59 -17.876 15.687 -6.701 413 HD1 PHE 59 HD1 PHE 59 -16.808 16.194 -10.285 414 HD2 PHE 59 HD2 PHE 59 -20.003 15.238 -7.544 415 HE1 PHE 59 HE1 PHE 59 -18.382 15.957 -12.203 416 HE2 PHE 59 HE2 PHE 59 -21.578 15.002 -9.462 417 HZ PHE 59 HZ PHE 59 -20.767 15.361 -11.792 418 H ILE 60 H ILE 60 -18.309 17.823 -5.631 419 HA ILE 60 HA ILE 60 -20.328 19.341 -7.067 420 HB ILE 60 HB ILE 60 -19.692 19.028 -4.114 421 1HG1 ILE 60 1HG1 ILE 60 -21.986 17.592 -5.246 422 2HG1 ILE 60 2HG1 ILE 60 -20.449 17.091 -5.952 423 1HG2 ILE 60 1HG2 ILE 60 -21.968 20.256 -5.634 424 2HG2 ILE 60 2HG2 ILE 60 -22.303 19.440 -4.107 425 3HG2 ILE 60 3HG2 ILE 60 -21.191 20.808 -4.150 426 1HD1 ILE 60 1HD1 ILE 60 -20.768 17.368 -2.966 427 2HD1 ILE 60 2HD1 ILE 60 -21.228 15.883 -3.798 428 3HD1 ILE 60 3HD1 ILE 60 -19.558 16.448 -3.862 429 H ALA 61 H ALA 61 -17.499 20.159 -5.091 430 HA ALA 61 HA ALA 61 -18.067 22.991 -4.897 431 1HB ALA 61 1HB ALA 61 -15.696 23.042 -4.140 432 2HB ALA 61 2HB ALA 61 -16.603 21.748 -3.358 433 3HB ALA 61 3HB ALA 61 -15.504 21.376 -4.686 434 H ALA 62 H ALA 62 -16.681 20.956 -7.363 435 HA ALA 62 HA ALA 62 -15.512 23.287 -8.798 436 1HB ALA 62 1HB ALA 62 -15.476 20.288 -9.256 437 2HB ALA 62 3HB ALA 62 -14.612 21.456 -10.254 438 3HB ALA 62 2HB ALA 62 -14.177 21.255 -8.557 439 H SER 63 H SER 63 -17.521 20.457 -9.717 440 HA SER 63 HA SER 63 -18.865 22.186 -11.757 441 1HB SER 63 1HB SER 63 -19.312 20.079 -12.881 442 2HB SER 63 2HB SER 63 -17.617 20.088 -12.400 443 HG SER 63 HG SER 63 -19.641 18.450 -11.631 444 H LEU 8 H LEU 8 30.760 -33.410 15.409 445 HA LEU 8 HA LEU 8 28.922 -31.765 15.240 446 1HB LEU 8 1HB LEU 8 30.153 -33.012 12.867 447 2HB LEU 8 2HB LEU 8 28.681 -32.106 12.520 448 HG LEU 8 HG LEU 8 30.177 -30.542 14.350 449 1HD1 LEU 8 1HD1 LEU 8 31.836 -32.054 12.411 450 2HD1 LEU 8 2HD1 LEU 8 32.143 -30.319 12.487 451 3HD1 LEU 8 3HD1 LEU 8 32.294 -31.305 13.941 452 1HD2 LEU 8 1HD2 LEU 8 29.229 -30.415 11.532 453 2HD2 LEU 8 2HD2 LEU 8 28.966 -29.284 12.859 454 3HD2 LEU 8 3HD2 LEU 8 30.496 -29.275 11.982 455 H GLU 9 H GLU 9 26.689 -31.569 15.211 456 HA GLU 9 HA GLU 9 25.005 -33.543 13.819 457 1HB GLU 9 1HB GLU 9 23.911 -34.230 15.966 458 2HB GLU 9 2HB GLU 9 25.608 -34.706 15.886 459 1HG GLU 9 1HG GLU 9 26.249 -33.205 17.501 460 2HG GLU 9 2HG GLU 9 25.022 -32.025 17.040 461 HA PRO 10 HA PRO 10 23.312 -29.233 14.774 462 1HB PRO 10 1HB PRO 10 23.469 -28.172 12.257 463 2HB PRO 10 2HB PRO 10 24.776 -28.027 13.449 464 1HG PRO 10 2HG PRO 10 24.521 -29.879 11.135 465 2HG PRO 10 1HG PRO 10 25.953 -29.052 11.767 466 1HD PRO 10 1HD PRO 10 25.389 -31.685 12.236 467 2HD PRO 10 2HD PRO 10 26.356 -30.670 13.330 468 H ASP 11 H ASP 11 22.938 -31.032 11.699 469 HA ASP 11 HA ASP 11 21.006 -31.808 10.593 470 1HB ASP 11 1HB ASP 11 20.586 -31.965 13.461 471 2HB ASP 11 2HB ASP 11 19.059 -31.673 12.627 472 H ASN 12 H ASN 12 19.274 -29.762 12.913 473 HA ASN 12 HA ASN 12 18.911 -27.606 10.926 474 1HB ASN 12 1HB ASN 12 17.327 -29.660 10.543 475 2HB ASN 12 2HB ASN 12 16.468 -29.040 11.952 476 2HD2 ASN 12 2HD2 ASN 12 16.300 -26.392 11.714 477 1HD2 ASN 12 1HD2 ASN 12 15.663 -25.900 10.218 478 H VAL 13 H VAL 13 19.778 -28.128 13.843 479 HA VAL 13 HA VAL 13 17.763 -26.705 15.426 480 HB VAL 13 HB VAL 13 20.395 -28.073 15.816 481 1HG1 VAL 13 1HG1 VAL 13 19.409 -25.806 17.479 482 2HG1 VAL 13 2HG1 VAL 13 19.963 -27.236 18.349 483 3HG1 VAL 13 3HG1 VAL 13 21.055 -26.395 17.249 484 1HG2 VAL 13 1HG2 VAL 13 18.041 -29.083 16.005 485 2HG2 VAL 13 2HG2 VAL 13 19.153 -29.393 17.339 486 3HG2 VAL 13 3HG2 VAL 13 17.898 -28.165 17.504 487 HA PRO 14 HA PRO 14 21.018 -23.235 15.430 488 1HB PRO 14 1HB PRO 14 23.310 -23.525 13.971 489 2HB PRO 14 2HB PRO 14 23.163 -24.078 15.651 490 1HG PRO 14 2HG PRO 14 23.043 -25.641 13.129 491 2HG PRO 14 1HG PRO 14 23.738 -26.076 14.697 492 1HD PRO 14 1HD PRO 14 21.312 -26.969 13.789 493 2HD PRO 14 2HD PRO 14 21.762 -26.845 15.501 494 H MET 15 H MET 15 21.461 -24.887 12.278 495 HA MET 15 HA MET 15 21.012 -24.137 10.088 496 1HB MET 15 1HB MET 15 18.787 -23.934 11.636 497 2HB MET 15 2HB MET 15 18.956 -22.256 11.118 498 1HG MET 15 1HG MET 15 17.665 -23.177 9.394 499 2HG MET 15 2HG MET 15 19.299 -23.292 8.740 500 1HE MET 15 1HE MET 15 18.826 -24.882 7.088 501 2HE MET 15 2HE MET 15 18.221 -26.526 7.265 502 3HE MET 15 3HE MET 15 17.112 -25.166 7.422 503 H ASP 16 H ASP 16 20.188 -21.612 9.151 504 HA ASP 16 HA ASP 16 21.778 -19.488 10.378 505 1HB ASP 16 1HB ASP 16 22.794 -21.240 8.199 506 2HB ASP 16 2HB ASP 16 23.102 -19.513 8.014 507 H MET 17 H MET 17 19.353 -18.884 10.033 508 HA MET 17 HA MET 17 19.149 -16.956 7.915 509 1HB MET 17 1HB MET 17 17.371 -18.210 6.604 510 2HB MET 17 2HB MET 17 18.992 -18.888 6.467 511 1HG MET 17 1HG MET 17 18.376 -20.461 8.366 512 2HG MET 17 2HG MET 17 16.715 -19.894 8.190 513 1HE MET 17 1HE MET 17 15.514 -21.473 7.746 514 2HE MET 17 2HE MET 17 15.292 -22.323 6.219 515 3HE MET 17 3HE MET 17 16.344 -23.009 7.456 516 H SER 18 H SER 18 17.254 -19.213 9.930 517 HA SER 18 HA SER 18 15.972 -17.123 11.431 518 1HB SER 18 1HB SER 18 13.656 -17.711 10.302 519 2HB SER 18 2HB SER 18 14.722 -16.531 9.544 520 HG SER 18 HG SER 18 14.400 -17.876 7.915 521 HA PRO 19 HA PRO 19 15.323 -20.968 13.570 522 1HB PRO 19 1HB PRO 19 14.298 -19.940 15.884 523 2HB PRO 19 2HB PRO 19 16.024 -19.891 15.481 524 1HG PRO 19 1HG PRO 19 14.008 -17.741 15.398 525 2HG PRO 19 2HG PRO 19 15.746 -17.647 15.695 526 1HD PRO 19 1HD PRO 19 14.456 -17.015 13.300 527 2HD PRO 19 2HD PRO 19 16.198 -17.288 13.510 528 H LYS 20 H LYS 20 13.384 -20.622 11.664 529 HA LYS 20 HA LYS 20 11.178 -21.274 11.164 530 1HB LYS 20 1HB LYS 20 11.892 -22.921 13.011 531 2HB LYS 20 2HB LYS 20 10.934 -21.923 14.105 532 1HG LYS 20 1HG LYS 20 9.662 -22.776 11.541 533 2HG LYS 20 2HG LYS 20 9.856 -23.992 12.804 534 1HD LYS 20 1HD LYS 20 8.899 -21.967 14.303 535 2HD LYS 20 2HD LYS 20 8.140 -21.564 12.763 536 1HE LYS 20 1HE LYS 20 7.778 -24.325 12.966 537 2HE LYS 20 2HE LYS 20 7.489 -23.726 14.612 538 1HZ LYS 20 1HZ LYS 20 6.132 -21.926 13.569 539 2HZ LYS 20 2HZ LYS 20 6.244 -22.758 12.097 540 3HZ LYS 20 3HZ LYS 20 5.463 -23.480 13.422 541 H ALA 21 H ALA 21 10.855 -20.023 14.511 542 HA ALA 21 HA ALA 21 8.402 -18.756 14.325 543 1HB ALA 21 1HB ALA 21 10.972 -18.040 15.738 544 2HB ALA 21 3HB ALA 21 9.487 -17.131 16.014 545 3HB ALA 21 2HB ALA 21 9.553 -18.852 16.398 546 H LEU 22 H LEU 22 11.540 -17.313 13.389 547 HA LEU 22 HA LEU 22 10.285 -14.834 12.453 548 1HB LEU 22 1HB LEU 22 13.050 -16.065 12.360 549 2HB LEU 22 2HB LEU 22 12.697 -14.502 11.622 550 HG LEU 22 HG LEU 22 11.728 -13.818 13.893 551 1HD1 LEU 22 1HD1 LEU 22 12.886 -16.507 14.474 552 2HD1 LEU 22 2HD1 LEU 22 13.054 -15.258 15.707 553 3HD1 LEU 22 3HD1 LEU 22 11.451 -15.739 15.148 554 1HD2 LEU 22 1HD2 LEU 22 14.089 -13.319 12.888 555 2HD2 LEU 22 2HD2 LEU 22 13.829 -13.030 14.609 556 3HD2 LEU 22 3HD2 LEU 22 14.661 -14.492 14.076 557 H GLN 23 H GLN 23 11.780 -17.699 10.965 558 HA GLN 23 HA GLN 23 11.705 -17.009 8.253 559 1HB GLN 23 1HB GLN 23 12.536 -19.113 9.483 560 2HB GLN 23 2HB GLN 23 10.879 -19.703 9.351 561 1HG GLN 23 1HG GLN 23 10.960 -19.504 6.919 562 2HG GLN 23 2HG GLN 23 12.578 -18.807 7.005 563 2HE2 GLN 23 2HE2 GLN 23 11.336 -21.554 8.944 564 1HE2 GLN 23 1HE2 GLN 23 12.435 -22.690 8.327 565 H GLN 24 H GLN 24 9.036 -18.327 10.233 566 HA GLN 24 HA GLN 24 7.157 -18.320 7.990 567 1HB GLN 24 1HB GLN 24 7.349 -19.738 10.231 568 2HB GLN 24 2HB GLN 24 6.351 -18.433 10.874 569 1HG GLN 24 2HG GLN 24 4.930 -20.249 10.025 570 2HG GLN 24 1HG GLN 24 4.718 -18.798 9.044 571 2HE2 GLN 24 2HE2 GLN 24 4.843 -19.167 6.830 572 1HE2 GLN 24 1HE2 GLN 24 5.677 -20.453 6.099 573 H LYS 25 H LYS 25 7.645 -16.319 10.918 574 HA LYS 25 HA LYS 25 5.422 -14.566 10.513 575 1HB LYS 25 1HB LYS 25 7.903 -14.727 12.100 576 2HB LYS 25 2HB LYS 25 7.329 -13.083 11.823 577 1HG LYS 25 2HG LYS 25 6.283 -13.871 13.846 578 2HG LYS 25 1HG LYS 25 5.045 -13.847 12.591 579 1HD LYS 25 1HD LYS 25 5.958 -16.350 12.224 580 2HD LYS 25 2HD LYS 25 6.329 -16.169 13.940 581 1HE LYS 25 1HE LYS 25 4.141 -16.369 14.500 582 2HE LYS 25 2HE LYS 25 3.667 -15.143 13.306 583 1HZ LYS 25 1HZ LYS 25 4.079 -16.874 11.571 584 2HZ LYS 25 2HZ LYS 25 4.218 -18.019 12.819 585 3HZ LYS 25 3HZ LYS 25 2.753 -17.198 12.583 586 H ILE 26 H ILE 26 8.749 -14.491 9.274 587 HA ILE 26 HA ILE 26 8.534 -11.822 8.135 588 HB ILE 26 HB ILE 26 10.403 -14.165 7.652 589 1HG1 ILE 26 1HG1 ILE 26 10.860 -11.647 9.272 590 2HG1 ILE 26 2HG1 ILE 26 10.247 -13.139 9.987 591 1HG2 ILE 26 1HG2 ILE 26 10.092 -11.846 6.115 592 2HG2 ILE 26 2HG2 ILE 26 11.466 -11.499 7.165 593 3HG2 ILE 26 3HG2 ILE 26 11.492 -12.918 6.118 594 1HD1 ILE 26 1HD1 ILE 26 12.730 -13.227 8.301 595 2HD1 ILE 26 2HD1 ILE 26 12.837 -12.676 9.973 596 3HD1 ILE 26 3HD1 ILE 26 12.238 -14.296 9.614 597 H HIS 27 H HIS 27 8.546 -15.107 6.686 598 HA HIS 27 HA HIS 27 7.988 -14.254 4.011 599 1HB HIS 27 1HB HIS 27 7.861 -16.761 5.633 600 2HB HIS 27 2HB HIS 27 7.058 -16.764 4.063 601 HD1 HIS 27 HD1 HIS 27 8.542 -16.532 1.951 602 HD2 HIS 27 HD2 HIS 27 10.705 -16.530 5.516 603 HE1 HIS 27 HE1 HIS 27 10.978 -16.810 1.312 604 H GLU 28 H GLU 28 5.930 -14.689 6.804 605 HA GLU 28 HA GLU 28 3.434 -14.882 5.286 606 1HB GLU 28 1HB GLU 28 4.309 -14.625 8.150 607 2HB GLU 28 2HB GLU 28 2.613 -14.365 7.742 608 1HG GLU 28 1HG GLU 28 4.016 -16.790 6.668 609 2HG GLU 28 2HG GLU 28 3.462 -16.789 8.343 610 H LEU 29 H LEU 29 4.691 -12.390 7.547 611 HA LEU 29 HA LEU 29 2.815 -10.367 6.976 612 1HB LEU 29 1HB LEU 29 5.494 -10.657 8.144 613 2HB LEU 29 2HB LEU 29 5.205 -9.054 7.468 614 HG LEU 29 HG LEU 29 2.873 -9.346 8.734 615 1HD1 LEU 29 1HD1 LEU 29 3.888 -11.698 9.459 616 2HD1 LEU 29 2HD1 LEU 29 4.647 -10.719 10.714 617 3HD1 LEU 29 3HD1 LEU 29 2.890 -10.758 10.570 618 1HD2 LEU 29 1HD2 LEU 29 5.233 -7.928 9.148 619 2HD2 LEU 29 2HD2 LEU 29 3.710 -7.662 9.997 620 3HD2 LEU 29 3HD2 LEU 29 4.941 -8.708 10.703 621 H GLU 30 H GLU 30 5.668 -11.360 5.148 622 HA GLU 30 HA GLU 30 5.878 -9.048 3.455 623 1HB GLU 30 1HB GLU 30 7.468 -11.058 3.922 624 2HB GLU 30 2HB GLU 30 6.553 -11.877 2.656 625 1HG GLU 30 1HG GLU 30 7.341 -9.150 1.920 626 2HG GLU 30 2HG GLU 30 8.717 -10.209 2.229 627 H GLY 31 H GLY 31 4.460 -12.271 2.750 628 1HA GLY 31 2HA GLY 31 2.773 -12.885 1.240 629 2HA GLY 31 1HA GLY 31 3.313 -11.528 0.252 630 H LEU 32 H LEU 32 2.304 -10.880 3.511 631 HA LEU 32 HA LEU 32 -0.501 -10.366 2.878 632 1HB LEU 32 1HB LEU 32 0.963 -10.879 5.118 633 2HB LEU 32 2HB LEU 32 0.789 -9.128 5.244 634 HG LEU 32 HG LEU 32 -1.683 -9.414 4.890 635 1HD1 LEU 32 1HD1 LEU 32 -0.776 -12.180 4.516 636 2HD1 LEU 32 2HD1 LEU 32 -2.117 -12.040 5.652 637 3HD1 LEU 32 3HD1 LEU 32 -2.284 -11.415 4.012 638 1HD2 LEU 32 1HD2 LEU 32 -0.665 -9.204 7.158 639 2HD2 LEU 32 2HD2 LEU 32 -2.122 -10.197 7.169 640 3HD2 LEU 32 3HD2 LEU 32 -0.535 -10.962 7.235 641 H MET 33 H MET 33 2.478 -8.522 2.831 642 HA MET 33 HA MET 33 1.414 -5.874 2.998 643 1HB MET 33 1HB MET 33 3.876 -7.266 2.306 644 2HB MET 33 2HB MET 33 3.640 -5.843 1.292 645 1HG MET 33 1HG MET 33 3.762 -4.381 3.072 646 2HG MET 33 2HG MET 33 3.116 -5.557 4.216 647 1HE MET 33 1HE MET 33 5.587 -5.302 1.568 648 2HE MET 33 2HE MET 33 6.769 -4.379 2.506 649 3HE MET 33 3HE MET 33 7.070 -6.073 2.127 650 H MET 34 H MET 34 2.022 -7.981 0.172 651 HA MET 34 HA MET 34 1.009 -5.998 -1.725 652 1HB MET 34 1HB MET 34 2.787 -7.660 -2.212 653 2HB MET 34 2HB MET 34 1.618 -8.960 -1.980 654 1HG MET 34 2HG MET 34 1.048 -8.767 -4.148 655 2HG MET 34 1HG MET 34 0.409 -7.164 -3.788 656 1HE MET 34 1HE MET 34 2.837 -5.752 -2.729 657 2HE MET 34 2HE MET 34 3.652 -4.984 -4.089 658 3HE MET 34 3HE MET 34 1.897 -4.892 -3.956 659 H GLN 35 H GLN 35 -0.280 -8.823 -0.032 660 HA GLN 35 HA GLN 35 -2.576 -9.411 -1.525 661 1HB GLN 35 1HB GLN 35 -1.819 -10.668 0.421 662 2HB GLN 35 2HB GLN 35 -2.132 -9.290 1.475 663 1HG GLN 35 1HG GLN 35 -4.200 -10.135 1.789 664 2HG GLN 35 2HG GLN 35 -4.546 -9.689 0.118 665 2HE2 GLN 35 2HE2 GLN 35 -3.414 -12.392 2.165 666 1HE2 GLN 35 1HE2 GLN 35 -3.780 -13.609 1.040 667 H HIS 36 H HIS 36 -2.949 -7.540 1.486 668 HA HIS 36 HA HIS 36 -5.396 -6.323 0.793 669 1HB HIS 36 1HB HIS 36 -3.118 -5.692 2.653 670 2HB HIS 36 2HB HIS 36 -4.500 -4.600 2.554 671 HD1 HIS 36 HD1 HIS 36 -3.694 -6.604 4.993 672 HD2 HIS 36 HD2 HIS 36 -6.764 -7.123 2.221 673 HE1 HIS 36 HE1 HIS 36 -5.370 -8.173 6.064 674 H ALA 37 H ALA 37 -2.105 -4.905 0.521 675 HA ALA 37 HA ALA 37 -2.692 -2.394 -0.546 676 1HB ALA 37 1HB ALA 37 -0.455 -3.285 0.039 677 2HB ALA 37 3HB ALA 37 -0.515 -4.350 -1.366 678 3HB ALA 37 2HB ALA 37 -0.456 -2.601 -1.587 679 H GLN 38 H GLN 38 -2.619 -5.532 -2.236 680 HA GLN 38 HA GLN 38 -3.010 -4.489 -4.897 681 1HB GLN 38 1HB GLN 38 -3.138 -7.086 -3.445 682 2HB GLN 38 2HB GLN 38 -4.016 -7.006 -4.974 683 1HG GLN 38 1HG GLN 38 -1.991 -6.239 -6.126 684 2HG GLN 38 2HG GLN 38 -1.103 -6.251 -4.602 685 2HE2 GLN 38 2HE2 GLN 38 -1.810 -8.646 -3.433 686 1HE2 GLN 38 1HE2 GLN 38 -1.394 -9.951 -4.436 687 H ASN 39 H ASN 39 -5.176 -5.406 -2.262 688 HA ASN 39 HA ASN 39 -7.584 -4.949 -3.933 689 1HB ASN 39 1HB ASN 39 -7.085 -5.808 -1.065 690 2HB ASN 39 2HB ASN 39 -8.695 -5.656 -1.770 691 2HD2 ASN 39 2HD2 ASN 39 -9.112 -7.973 -1.644 692 1HD2 ASN 39 1HD2 ASN 39 -8.311 -9.075 -2.655 693 H LEU 40 H LEU 40 -5.529 -2.828 -2.911 694 HA LEU 40 HA LEU 40 -5.608 -0.617 -2.147 695 1HB LEU 40 1HB LEU 40 -8.379 -1.252 -3.139 696 2HB LEU 40 2HB LEU 40 -8.040 0.331 -2.439 697 HG LEU 40 HG LEU 40 -5.967 0.287 -4.059 698 1HD1 LEU 40 1HD1 LEU 40 -7.613 -2.014 -4.910 699 2HD1 LEU 40 2HD1 LEU 40 -7.139 -0.925 -6.215 700 3HD1 LEU 40 3HD1 LEU 40 -5.907 -1.681 -5.204 701 1HD2 LEU 40 1HD2 LEU 40 -8.269 1.624 -4.087 702 2HD2 LEU 40 2HD2 LEU 40 -7.176 1.678 -5.471 703 3HD2 LEU 40 3HD2 LEU 40 -8.578 0.607 -5.495 704 H GLU 41 H GLU 41 -6.241 -2.940 -0.242 705 HA GLU 41 HA GLU 41 -8.144 -1.973 1.707 706 1HB GLU 41 1HB GLU 41 -6.023 -4.050 1.454 707 2HB GLU 41 2HB GLU 41 -6.484 -3.599 3.095 708 1HG GLU 41 1HG GLU 41 -8.462 -4.393 0.942 709 2HG GLU 41 2HG GLU 41 -7.836 -5.500 2.164 710 H PHE 42 H PHE 42 -4.599 -1.831 1.450 711 HA PHE 42 HA PHE 42 -3.021 -0.497 2.582 712 1HB PHE 42 1HB PHE 42 -5.396 1.146 1.839 713 2HB PHE 42 2HB PHE 42 -4.199 1.906 2.887 714 HD1 PHE 42 HD1 PHE 42 -1.659 0.740 1.972 715 HD2 PHE 42 HD2 PHE 42 -5.078 2.053 -0.316 716 HE1 PHE 42 HE1 PHE 42 -0.187 1.147 0.003 717 HE2 PHE 42 HE2 PHE 42 -3.603 2.459 -2.285 718 HZ PHE 42 HZ PHE 42 -1.156 2.007 -2.120 719 H GLU 43 H GLU 43 -2.968 1.232 4.510 720 HA GLU 43 HA GLU 43 -3.136 1.639 6.806 721 1HB GLU 43 1HB GLU 43 -5.522 1.944 6.357 722 2HB GLU 43 2HB GLU 43 -5.781 0.203 6.366 723 1HG GLU 43 1HG GLU 43 -4.871 0.191 8.734 724 2HG GLU 43 2HG GLU 43 -4.977 1.952 8.693 725 H GLU 44 H GLU 44 -4.594 -1.530 6.236 726 HA GLU 44 HA GLU 44 -3.052 -2.753 8.416 727 1HB GLU 44 2HB GLU 44 -4.390 -4.717 7.835 728 2HB GLU 44 1HB GLU 44 -5.433 -3.296 7.853 729 1HG GLU 44 1HG GLU 44 -5.284 -3.122 5.411 730 2HG GLU 44 2HG GLU 44 -4.173 -4.491 5.365 731 H ALA 45 H ALA 45 -3.003 -2.655 4.874 732 HA ALA 45 HA ALA 45 -0.975 -4.753 4.619 733 1HB ALA 45 1HB ALA 45 -2.886 -3.619 3.031 734 2HB ALA 45 3HB ALA 45 -1.539 -4.577 2.414 735 3HB ALA 45 2HB ALA 45 -1.435 -2.815 2.432 736 H ALA 46 H ALA 46 -0.993 -1.188 4.297 737 HA ALA 46 HA ALA 46 1.843 -1.039 3.697 738 1HB ALA 46 1HB ALA 46 1.417 1.299 3.643 739 2HB ALA 46 3HB ALA 46 -0.087 0.551 3.107 740 3HB ALA 46 2HB ALA 46 0.058 1.156 4.760 741 H GLN 47 H GLN 47 0.018 -1.240 6.658 742 HA GLN 47 HA GLN 47 2.028 0.033 8.353 743 1HB GLN 47 1HB GLN 47 -0.503 -1.535 8.658 744 2HB GLN 47 2HB GLN 47 0.550 -1.381 10.063 745 1HG GLN 47 1HG GLN 47 -0.163 1.054 8.447 746 2HG GLN 47 2HG GLN 47 -1.284 0.439 9.662 747 2HE2 GLN 47 2HE2 GLN 47 -0.674 2.675 10.670 748 1HE2 GLN 47 1HE2 GLN 47 0.682 2.703 11.689 749 H ILE 48 H ILE 48 1.597 -3.126 6.969 750 HA ILE 48 HA ILE 48 3.079 -4.653 8.923 751 HB ILE 48 HB ILE 48 2.473 -5.046 5.975 752 1HG1 ILE 48 1HG1 ILE 48 1.162 -6.388 8.341 753 2HG1 ILE 48 2HG1 ILE 48 0.588 -4.832 7.739 754 1HG2 ILE 48 1HG2 ILE 48 4.298 -6.458 7.572 755 2HG2 ILE 48 2HG2 ILE 48 2.844 -7.456 7.555 756 3HG2 ILE 48 3HG2 ILE 48 3.611 -6.992 6.037 757 1HD1 ILE 48 1HD1 ILE 48 0.779 -6.215 5.407 758 2HD1 ILE 48 2HD1 ILE 48 0.377 -7.524 6.519 759 3HD1 ILE 48 3HD1 ILE 48 -0.696 -6.132 6.370 760 H ARG 49 H ARG 49 4.006 -2.692 6.137 761 HA ARG 49 HA ARG 49 6.596 -3.663 5.605 762 1HB ARG 49 2HB ARG 49 6.987 -1.405 4.740 763 2HB ARG 49 1HB ARG 49 5.327 -1.883 4.384 764 1HG ARG 49 2HG ARG 49 4.872 0.176 5.285 765 2HG ARG 49 1HG ARG 49 4.934 -0.738 6.792 766 1HD ARG 49 1HD ARG 49 7.541 -0.191 6.607 767 2HD ARG 49 2HD ARG 49 6.933 1.183 5.662 768 HE ARG 49 HE ARG 49 5.432 0.747 8.127 769 1HH1 ARG 49 1HH1 ARG 49 8.622 1.587 7.389 770 2HH1 ARG 49 2HH1 ARG 49 8.603 3.086 8.258 771 1HH2 ARG 49 1HH2 ARG 49 5.207 2.948 8.947 772 2HH2 ARG 49 2HH2 ARG 49 6.670 3.856 9.141 773 H ASP 50 H ASP 50 5.417 -1.816 8.344 774 HA ASP 50 HA ASP 50 8.053 -1.037 9.330 775 1HB ASP 50 1HB ASP 50 5.403 -0.337 9.748 776 2HB ASP 50 2HB ASP 50 5.820 -1.189 11.235 777 H GLN 51 H GLN 51 5.709 -3.627 10.040 778 HA GLN 51 HA GLN 51 7.247 -4.760 12.231 779 1HB GLN 51 2HB GLN 51 5.098 -5.936 10.435 780 2HB GLN 51 1HB GLN 51 5.584 -6.564 12.010 781 1HG GLN 51 1HG GLN 51 4.729 -4.666 13.154 782 2HG GLN 51 2HG GLN 51 4.605 -3.728 11.665 783 2HE2 GLN 51 2HE2 GLN 51 3.587 -7.128 11.908 784 1HE2 GLN 51 1HE2 GLN 51 1.929 -6.823 11.705 785 H LEU 52 H LEU 52 6.859 -5.550 8.771 786 HA LEU 52 HA LEU 52 8.516 -7.889 8.759 787 1HB LEU 52 1HB LEU 52 6.837 -6.807 7.037 788 2HB LEU 52 2HB LEU 52 8.280 -5.983 6.444 789 HG LEU 52 HG LEU 52 7.924 -8.082 5.213 790 1HD1 LEU 52 1HD1 LEU 52 10.260 -7.201 6.006 791 2HD1 LEU 52 2HD1 LEU 52 10.237 -8.612 7.063 792 3HD1 LEU 52 3HD1 LEU 52 10.146 -8.820 5.314 793 1HD2 LEU 52 1HD2 LEU 52 7.185 -9.031 7.784 794 2HD2 LEU 52 2HD2 LEU 52 7.187 -9.933 6.268 795 3HD2 LEU 52 3HD2 LEU 52 8.615 -9.944 7.302 796 H HIS 53 H HIS 53 9.239 -4.435 8.305 797 HA HIS 53 HA HIS 53 12.029 -4.843 7.600 798 1HB HIS 53 1HB HIS 53 10.189 -2.592 8.321 799 2HB HIS 53 2HB HIS 53 11.926 -2.290 8.369 800 HD1 HIS 53 HD1 HIS 53 10.207 -4.583 5.895 801 HD2 HIS 53 HD2 HIS 53 12.138 -0.890 5.945 802 HE1 HIS 53 HE1 HIS 53 10.489 -3.889 3.476 803 H GLN 54 H GLN 54 10.257 -4.242 10.613 804 HA GLN 54 HA GLN 54 12.684 -3.879 12.212 805 1HB GLN 54 1HB GLN 54 10.217 -3.007 12.495 806 2HB GLN 54 2HB GLN 54 9.955 -4.568 13.272 807 1HG GLN 54 1HG GLN 54 11.398 -4.091 15.033 808 2HG GLN 54 2HG GLN 54 12.321 -2.920 14.091 809 2HE2 GLN 54 2HE2 GLN 54 9.247 -3.379 15.844 810 1HE2 GLN 54 1HE2 GLN 54 8.902 -1.724 16.006 811 H LEU 55 H LEU 55 10.491 -6.525 11.405 812 HA LEU 55 HA LEU 55 11.189 -8.400 13.408 813 1HB LEU 55 1HB LEU 55 10.030 -8.354 10.693 814 2HB LEU 55 2HB LEU 55 10.730 -9.903 11.163 815 HG LEU 55 HG LEU 55 9.072 -8.574 13.228 816 1HD1 LEU 55 1HD1 LEU 55 8.042 -8.514 10.687 817 2HD1 LEU 55 2HD1 LEU 55 7.469 -10.080 11.260 818 3HD1 LEU 55 3HD1 LEU 55 7.067 -8.613 12.153 819 1HD2 LEU 55 1HD2 LEU 55 9.431 -11.369 12.120 820 2HD2 LEU 55 2HD2 LEU 55 9.942 -10.757 13.693 821 3HD2 LEU 55 3HD2 LEU 55 8.227 -10.984 13.350 822 H ARG 56 H ARG 56 12.905 -7.475 10.460 823 HA ARG 56 HA ARG 56 14.711 -9.654 10.263 824 1HB ARG 56 2HB ARG 56 16.012 -8.095 8.930 825 2HB ARG 56 1HB ARG 56 14.303 -7.774 8.645 826 1HG ARG 56 1HG ARG 56 14.971 -5.614 9.050 827 2HG ARG 56 2HG ARG 56 14.701 -6.108 10.722 828 1HD ARG 56 1HD ARG 56 16.906 -5.886 11.207 829 2HD ARG 56 2HD ARG 56 17.368 -6.867 9.802 830 HE ARG 56 HE ARG 56 17.002 -3.926 9.807 831 1HH1 ARG 56 1HH1 ARG 56 16.175 -6.181 7.567 832 2HH1 ARG 56 2HH1 ARG 56 17.343 -5.730 6.371 833 1HH2 ARG 56 1HH2 ARG 56 19.100 -3.627 8.495 834 2HH2 ARG 56 2HH2 ARG 56 18.998 -4.284 6.896 835 H GLU 57 H GLU 57 14.560 -7.052 12.577 836 HA GLU 57 HA GLU 57 17.335 -7.249 13.463 837 1HB GLU 57 2HB GLU 57 14.869 -6.098 14.811 838 2HB GLU 57 1HB GLU 57 16.546 -5.705 15.192 839 1HG GLU 57 1HG GLU 57 16.867 -4.755 12.964 840 2HG GLU 57 2HG GLU 57 15.230 -5.225 12.503 841 H LEU 58 H LEU 58 14.203 -8.546 14.535 842 HA LEU 58 HA LEU 58 14.980 -9.687 17.008 843 1HB LEU 58 1HB LEU 58 12.854 -9.914 15.007 844 2HB LEU 58 2HB LEU 58 13.137 -11.431 15.862 845 HG LEU 58 HG LEU 58 12.892 -8.820 17.352 846 1HD1 LEU 58 1HD1 LEU 58 10.863 -9.203 15.910 847 2HD1 LEU 58 2HD1 LEU 58 10.632 -10.744 16.736 848 3HD1 LEU 58 3HD1 LEU 58 10.522 -9.233 17.640 849 1HD2 LEU 58 1HD2 LEU 58 13.016 -11.723 17.970 850 2HD2 LEU 58 2HD2 LEU 58 13.583 -10.347 18.915 851 3HD2 LEU 58 3HD2 LEU 58 11.874 -10.780 18.928 852 H PHE 59 H PHE 59 15.818 -10.618 13.764 853 HA PHE 59 HA PHE 59 16.275 -13.373 13.913 854 1HB PHE 59 1HB PHE 59 16.594 -11.989 11.919 855 2HB PHE 59 2HB PHE 59 17.957 -11.166 12.681 856 HD1 PHE 59 HD1 PHE 59 16.842 -14.735 12.166 857 HD2 PHE 59 HD2 PHE 59 20.060 -11.863 11.952 858 HE1 PHE 59 HE1 PHE 59 18.379 -16.518 11.347 859 HE2 PHE 59 HE2 PHE 59 21.597 -13.646 11.133 860 HZ PHE 59 HZ PHE 59 20.757 -15.974 10.830 861 H ILE 60 H ILE 60 18.459 -10.760 15.021 862 HA ILE 60 HA ILE 60 20.488 -12.590 16.009 863 HB ILE 60 HB ILE 60 19.893 -9.666 16.574 864 1HG1 ILE 60 1HG1 ILE 60 22.133 -10.359 14.812 865 2HG1 ILE 60 2HG1 ILE 60 20.573 -10.875 14.171 866 1HG2 ILE 60 1HG2 ILE 60 22.175 -11.493 17.250 867 2HG2 ILE 60 2HG2 ILE 60 22.511 -9.797 16.901 868 3HG2 ILE 60 3HG2 ILE 60 21.432 -10.227 18.227 869 1HD1 ILE 60 1HD1 ILE 60 20.951 -8.100 15.288 870 2HD1 ILE 60 2HD1 ILE 60 21.364 -8.472 13.614 871 3HD1 ILE 60 3HD1 ILE 60 19.707 -8.679 14.180 872 H ALA 61 H ALA 61 17.712 -10.905 17.435 873 HA ALA 61 HA ALA 61 18.349 -11.539 20.188 874 1HB ALA 61 1HB ALA 61 16.882 -9.694 19.481 875 2HB ALA 61 3HB ALA 61 15.754 -10.848 18.770 876 3HB ALA 61 2HB ALA 61 15.989 -10.809 20.517 877 H ALA 62 H ALA 62 16.874 -13.303 17.568 878 HA ALA 62 HA ALA 62 15.738 -15.338 19.420 879 1HB ALA 62 1HB ALA 62 14.774 -16.199 17.269 880 2HB ALA 62 2HB ALA 62 14.357 -14.513 17.579 881 3HB ALA 62 3HB ALA 62 15.623 -14.909 16.417 882 H SER 63 H SER 63 17.664 -15.424 16.391 883 HA SER 63 HA SER 63 19.015 -17.884 17.425 884 1HB SER 63 1HB SER 63 19.393 -18.360 15.074 885 2HB SER 63 2HB SER 63 17.708 -17.887 15.267 886 HG SER 63 HG SER 63 19.700 -16.702 13.857 No H/Q in entry = 886 Start of MODEL 7 1 H LEU 8 H LEU 8 -6.941 -6.185 -19.606 2 HA LEU 8 HA LEU 8 -9.704 -5.747 -18.646 3 1HB LEU 8 1HB LEU 8 -8.695 -7.737 -20.002 4 2HB LEU 8 2HB LEU 8 -8.073 -8.276 -18.441 5 HG LEU 8 HG LEU 8 -10.814 -7.518 -18.104 6 1HD1 LEU 8 1HD1 LEU 8 -10.235 -9.364 -20.434 7 2HD1 LEU 8 2HD1 LEU 8 -11.791 -9.315 -19.605 8 3HD1 LEU 8 3HD1 LEU 8 -11.196 -7.887 -20.451 9 1HD2 LEU 8 1HD2 LEU 8 -9.021 -9.826 -17.692 10 2HD2 LEU 8 2HD2 LEU 8 -10.255 -9.156 -16.624 11 3HD2 LEU 8 3HD2 LEU 8 -10.716 -10.258 -17.922 12 H GLU 9 H GLU 9 -7.263 -4.584 -17.248 13 HA GLU 9 HA GLU 9 -6.949 -6.071 -14.762 14 1HB GLU 9 1HB GLU 9 -5.904 -3.708 -16.117 15 2HB GLU 9 2HB GLU 9 -6.128 -3.425 -14.390 16 1HG GLU 9 1HG GLU 9 -5.026 -5.962 -14.452 17 2HG GLU 9 2HG GLU 9 -4.179 -5.136 -15.760 18 HA PRO 10 HA PRO 10 -9.701 -2.630 -12.934 19 1HB PRO 10 1HB PRO 10 -10.863 -0.819 -14.623 20 2HB PRO 10 2HB PRO 10 -9.258 -0.580 -13.905 21 1HG PRO 10 2HG PRO 10 -9.991 -1.478 -16.642 22 2HG PRO 10 1HG PRO 10 -8.665 -0.432 -16.113 23 1HD PRO 10 1HD PRO 10 -8.362 -3.069 -16.774 24 2HD PRO 10 2HD PRO 10 -7.286 -2.192 -15.667 25 H ASP 11 H ASP 11 -10.966 -3.117 -16.259 26 HA ASP 11 HA ASP 11 -12.946 -4.153 -17.014 27 1HB ASP 11 1HB ASP 11 -11.949 -5.589 -14.709 28 2HB ASP 11 2HB ASP 11 -13.712 -5.650 -14.735 29 H ASN 12 H ASN 12 -13.832 -4.094 -13.577 30 HA ASN 12 HA ASN 12 -15.646 -1.783 -14.034 31 1HB ASN 12 1HB ASN 12 -16.630 -4.146 -14.621 32 2HB ASN 12 2HB ASN 12 -16.725 -4.342 -12.871 33 2HD2 ASN 12 2HD2 ASN 12 -17.593 -1.999 -11.869 34 1HD2 ASN 12 1HD2 ASN 12 -19.041 -1.485 -12.591 35 H VAL 13 H VAL 13 -13.250 -2.662 -12.279 36 HA VAL 13 HA VAL 13 -14.322 -2.770 -9.568 37 HB VAL 13 HB VAL 13 -11.684 -2.758 -10.971 38 1HG1 VAL 13 1HG1 VAL 13 -12.096 -1.824 -8.141 39 2HG1 VAL 13 2HG1 VAL 13 -10.663 -2.770 -8.546 40 3HG1 VAL 13 3HG1 VAL 13 -10.959 -1.229 -9.353 41 1HG2 VAL 13 1HG2 VAL 13 -13.110 -4.775 -10.264 42 2HG2 VAL 13 2HG2 VAL 13 -11.401 -4.813 -9.831 43 3HG2 VAL 13 3HG2 VAL 13 -12.610 -4.398 -8.616 44 HA PRO 14 HA PRO 14 -12.773 1.728 -9.325 45 1HB PRO 14 1HB PRO 14 -11.813 2.941 -11.580 46 2HB PRO 14 2HB PRO 14 -10.783 2.011 -10.473 47 1HG PRO 14 2HG PRO 14 -11.927 1.227 -13.100 48 2HG PRO 14 1HG PRO 14 -10.360 0.827 -12.382 49 1HD PRO 14 1HD PRO 14 -12.500 -0.886 -12.458 50 2HD PRO 14 2HD PRO 14 -11.184 -0.970 -11.271 51 H MET 15 H MET 15 -13.828 1.327 -12.729 52 HA MET 15 HA MET 15 -15.647 2.286 -13.884 53 1HB MET 15 1HB MET 15 -16.471 0.901 -11.667 54 2HB MET 15 2HB MET 15 -17.223 2.473 -11.388 55 1HG MET 15 1HG MET 15 -18.038 2.339 -13.817 56 2HG MET 15 2HG MET 15 -17.571 0.639 -13.765 57 1HE MET 15 1HE MET 15 -19.820 0.825 -14.677 58 2HE MET 15 2HE MET 15 -20.455 -0.545 -13.757 59 3HE MET 15 3HE MET 15 -21.333 0.981 -13.787 60 H ASP 16 H ASP 16 -17.653 4.049 -12.548 61 HA ASP 16 HA ASP 16 -17.969 6.356 -12.171 62 1HB ASP 16 1HB ASP 16 -15.869 5.360 -10.504 63 2HB ASP 16 2HB ASP 16 -15.413 6.980 -11.032 64 H MET 17 H MET 17 -17.594 6.257 -14.683 65 HA MET 17 HA MET 17 -15.241 6.971 -16.006 66 1HB MET 17 1HB MET 17 -16.780 7.932 -17.686 67 2HB MET 17 2HB MET 17 -17.427 6.426 -17.034 68 1HG MET 17 1HG MET 17 -18.764 7.791 -15.397 69 2HG MET 17 2HG MET 17 -18.223 9.240 -16.242 70 1HE MET 17 1HE MET 17 -20.635 9.303 -15.797 71 2HE MET 17 2HE MET 17 -21.488 9.590 -17.312 72 3HE MET 17 3HE MET 17 -21.822 8.130 -16.384 73 H SER 18 H SER 18 -17.277 8.988 -13.968 74 HA SER 18 HA SER 18 -16.998 11.206 -13.206 75 1HB SER 18 1HB SER 18 -14.370 9.984 -13.648 76 2HB SER 18 2HB SER 18 -14.323 11.742 -13.737 77 HG SER 18 HG SER 18 -14.860 10.062 -11.603 78 HA PRO 19 HA PRO 19 -17.197 13.828 -16.728 79 1HB PRO 19 1HB PRO 19 -16.561 16.269 -15.685 80 2HB PRO 19 2HB PRO 19 -18.091 15.440 -15.347 81 1HG PRO 19 2HG PRO 19 -15.693 15.742 -13.647 82 2HG PRO 19 1HG PRO 19 -17.395 15.620 -13.189 83 1HD PRO 19 1HD PRO 19 -15.520 13.568 -13.035 84 2HD PRO 19 2HD PRO 19 -17.283 13.369 -12.989 85 H LYS 20 H LYS 20 -14.757 12.466 -16.839 86 HA LYS 20 HA LYS 20 -12.651 12.576 -17.871 87 1HB LYS 20 1HB LYS 20 -14.093 13.865 -19.457 88 2HB LYS 20 2HB LYS 20 -13.625 15.346 -18.624 89 1HG LYS 20 1HG LYS 20 -11.398 13.575 -19.462 90 2HG LYS 20 2HG LYS 20 -12.283 14.371 -20.764 91 1HD LYS 20 1HD LYS 20 -12.002 16.453 -19.050 92 2HD LYS 20 2HD LYS 20 -10.538 15.546 -18.671 93 1HE LYS 20 1HE LYS 20 -11.010 15.693 -21.556 94 2HE LYS 20 2HE LYS 20 -10.829 17.296 -20.815 95 1HZ LYS 20 1HZ LYS 20 -9.031 15.005 -20.237 96 2HZ LYS 20 2HZ LYS 20 -8.683 16.194 -21.400 97 3HZ LYS 20 3HZ LYS 20 -8.822 16.620 -19.762 98 H ALA 21 H ALA 21 -12.988 16.020 -16.939 99 HA ALA 21 HA ALA 21 -10.386 16.557 -16.183 100 1HB ALA 21 1HB ALA 21 -11.895 18.339 -16.172 101 2HB ALA 21 3HB ALA 21 -13.083 17.454 -15.214 102 3HB ALA 21 2HB ALA 21 -11.631 18.096 -14.446 103 H LEU 22 H LEU 22 -12.900 15.280 -13.975 104 HA LEU 22 HA LEU 22 -10.966 14.899 -11.801 105 1HB LEU 22 1HB LEU 22 -13.878 14.268 -12.308 106 2HB LEU 22 2HB LEU 22 -13.069 13.723 -10.838 107 HG LEU 22 HG LEU 22 -12.352 16.132 -10.472 108 1HD1 LEU 22 1HD1 LEU 22 -14.035 16.372 -12.928 109 2HD1 LEU 22 2HD1 LEU 22 -14.127 17.669 -11.736 110 3HD1 LEU 22 3HD1 LEU 22 -12.580 17.260 -12.477 111 1HD2 LEU 22 1HD2 LEU 22 -15.208 15.184 -10.431 112 2HD2 LEU 22 2HD2 LEU 22 -14.111 15.461 -9.078 113 3HD2 LEU 22 3HD2 LEU 22 -14.828 16.830 -9.926 114 H GLN 23 H GLN 23 -12.643 12.912 -14.190 115 HA GLN 23 HA GLN 23 -12.048 10.313 -13.312 116 1HB GLN 23 1HB GLN 23 -13.401 11.031 -15.299 117 2HB GLN 23 2HB GLN 23 -11.896 11.382 -16.148 118 1HG GLN 23 1HG GLN 23 -11.237 8.945 -15.571 119 2HG GLN 23 2HG GLN 23 -12.951 8.710 -15.228 120 2HE2 GLN 23 2HE2 GLN 23 -11.709 7.333 -17.396 121 1HE2 GLN 23 1HE2 GLN 23 -12.333 7.941 -18.853 122 H GLN 24 H GLN 24 -9.963 12.490 -15.241 123 HA GLN 24 HA GLN 24 -7.757 10.592 -15.362 124 1HB GLN 24 1HB GLN 24 -8.360 12.475 -16.974 125 2HB GLN 24 2HB GLN 24 -7.727 13.594 -15.767 126 1HG GLN 24 1HG GLN 24 -5.931 11.337 -16.348 127 2HG GLN 24 2HG GLN 24 -6.216 12.397 -17.728 128 2HE2 GLN 24 2HE2 GLN 24 -3.713 12.161 -16.106 129 1HE2 GLN 24 1HE2 GLN 24 -3.421 13.713 -15.482 130 H LYS 25 H LYS 25 -8.274 13.663 -13.579 131 HA LYS 25 HA LYS 25 -5.880 13.721 -12.101 132 1HB LYS 25 1HB LYS 25 -8.631 14.777 -11.922 133 2HB LYS 25 2HB LYS 25 -7.780 14.711 -10.378 134 1HG LYS 25 1HG LYS 25 -6.451 16.441 -10.946 135 2HG LYS 25 2HG LYS 25 -6.048 15.700 -12.495 136 1HD LYS 25 1HD LYS 25 -7.581 16.939 -13.618 137 2HD LYS 25 2HD LYS 25 -8.801 16.725 -12.362 138 1HE LYS 25 1HE LYS 25 -7.865 18.505 -11.031 139 2HE LYS 25 2HE LYS 25 -6.433 18.604 -12.074 140 1HZ LYS 25 1HZ LYS 25 -7.925 19.095 -13.949 141 2HZ LYS 25 2HZ LYS 25 -9.245 19.131 -12.880 142 3HZ LYS 25 3HZ LYS 25 -8.009 20.283 -12.737 143 H ILE 26 H ILE 26 -8.863 11.893 -11.471 144 HA ILE 26 HA ILE 26 -7.955 10.906 -8.872 145 HB ILE 26 HB ILE 26 -10.185 10.104 -10.769 146 1HG1 ILE 26 1HG1 ILE 26 -10.300 11.742 -8.222 147 2HG1 ILE 26 2HG1 ILE 26 -10.180 12.462 -9.828 148 1HG2 ILE 26 1HG2 ILE 26 -9.188 8.672 -8.595 149 2HG2 ILE 26 2HG2 ILE 26 -10.557 9.559 -7.924 150 3HG2 ILE 26 3HG2 ILE 26 -10.790 8.490 -9.308 151 1HD1 ILE 26 1HD1 ILE 26 -12.238 10.923 -10.369 152 2HD1 ILE 26 2HD1 ILE 26 -12.447 10.904 -8.618 153 3HD1 ILE 26 3HD1 ILE 26 -12.492 12.433 -9.495 154 H HIS 27 H HIS 27 -8.322 9.484 -12.139 155 HA HIS 27 HA HIS 27 -7.371 6.871 -11.499 156 1HB HIS 27 1HB HIS 27 -8.574 7.692 -13.570 157 2HB HIS 27 2HB HIS 27 -7.051 8.410 -14.092 158 HD1 HIS 27 HD1 HIS 27 -5.932 5.552 -12.424 159 HD2 HIS 27 HD2 HIS 27 -7.871 6.086 -16.076 160 HE1 HIS 27 HE1 HIS 27 -5.473 3.470 -13.789 161 H GLU 28 H GLU 28 -5.685 9.893 -11.935 162 HA GLU 28 HA GLU 28 -3.075 8.711 -12.512 163 1HB GLU 28 1HB GLU 28 -4.358 11.250 -12.507 164 2HB GLU 28 2HB GLU 28 -2.972 11.372 -11.422 165 1HG GLU 28 2HG GLU 28 -2.214 11.919 -13.654 166 2HG GLU 28 1HG GLU 28 -1.560 10.336 -13.232 167 H LEU 29 H LEU 29 -4.469 10.385 -9.659 168 HA LEU 29 HA LEU 29 -2.221 9.688 -7.945 169 1HB LEU 29 1HB LEU 29 -5.031 10.704 -7.401 170 2HB LEU 29 2HB LEU 29 -3.726 10.676 -6.214 171 HG LEU 29 HG LEU 29 -3.173 11.985 -8.839 172 1HD1 LEU 29 1HD1 LEU 29 -5.490 12.674 -7.531 173 2HD1 LEU 29 2HD1 LEU 29 -4.323 13.777 -6.802 174 3HD1 LEU 29 3HD1 LEU 29 -4.554 13.767 -8.551 175 1HD2 LEU 29 1HD2 LEU 29 -1.581 11.659 -6.818 176 2HD2 LEU 29 2HD2 LEU 29 -1.660 13.264 -7.547 177 3HD2 LEU 29 3HD2 LEU 29 -2.526 12.933 -6.047 178 H GLU 30 H GLU 30 -5.460 8.357 -8.531 179 HA GLU 30 HA GLU 30 -5.475 6.496 -6.335 180 1HB GLU 30 1HB GLU 30 -7.425 7.317 -7.692 181 2HB GLU 30 2HB GLU 30 -6.843 6.337 -9.039 182 1HG GLU 30 1HG GLU 30 -6.845 4.426 -7.180 183 2HG GLU 30 2HG GLU 30 -8.069 5.470 -6.455 184 H GLY 31 H GLY 31 -4.354 6.270 -9.705 185 1HA GLY 31 2HA GLY 31 -3.270 4.495 -10.827 186 2HA GLY 31 1HA GLY 31 -3.727 3.430 -9.497 187 H LEU 32 H LEU 32 -2.019 6.454 -8.971 188 HA LEU 32 HA LEU 32 0.667 5.482 -9.023 189 1HB LEU 32 1HB LEU 32 -0.441 7.872 -8.845 190 2HB LEU 32 2HB LEU 32 -0.294 7.590 -7.110 191 HG LEU 32 HG LEU 32 2.179 6.823 -7.933 192 1HD1 LEU 32 1HD1 LEU 32 1.045 8.150 -10.173 193 2HD1 LEU 32 2HD1 LEU 32 2.234 9.251 -9.476 194 3HD1 LEU 32 3HD1 LEU 32 2.716 7.627 -9.966 195 1HD2 LEU 32 1HD2 LEU 32 1.079 9.510 -7.107 196 2HD2 LEU 32 2HD2 LEU 32 1.964 8.338 -6.131 197 3HD2 LEU 32 3HD2 LEU 32 2.808 9.277 -7.362 198 H MET 33 H MET 33 -1.817 5.437 -6.494 199 HA MET 33 HA MET 33 -0.241 4.777 -4.242 200 1HB MET 33 1HB MET 33 -3.038 4.389 -5.188 201 2HB MET 33 2HB MET 33 -2.532 3.409 -3.810 202 1HG MET 33 1HG MET 33 -2.491 5.193 -2.418 203 2HG MET 33 2HG MET 33 -1.674 6.206 -3.608 204 1HE MET 33 1HE MET 33 -4.843 4.095 -3.827 205 2HE MET 33 2HE MET 33 -5.112 4.861 -2.263 206 3HE MET 33 3HE MET 33 -6.169 5.239 -3.631 207 H MET 34 H MET 34 -1.302 2.768 -6.946 208 HA MET 34 HA MET 34 -0.613 0.226 -5.712 209 1HB MET 34 1HB MET 34 -2.185 0.906 -7.717 210 2HB MET 34 2HB MET 34 -0.709 0.746 -8.672 211 1HG MET 34 1HG MET 34 -0.667 -1.520 -8.459 212 2HG MET 34 2HG MET 34 -1.196 -1.467 -6.777 213 1HE MET 34 1HE MET 34 -3.215 -1.005 -5.949 214 2HE MET 34 2HE MET 34 -4.253 0.045 -6.909 215 3HE MET 34 3HE MET 34 -4.738 -1.625 -6.582 216 H GLN 35 H GLN 35 1.090 2.590 -7.720 217 HA GLN 35 HA GLN 35 3.307 1.044 -8.561 218 1HB GLN 35 1HB GLN 35 2.805 3.291 -9.360 219 2HB GLN 35 2HB GLN 35 3.046 3.957 -7.746 220 1HG GLN 35 2HG GLN 35 5.200 4.293 -8.324 221 2HG GLN 35 1HG GLN 35 5.401 2.542 -8.266 222 2HE2 GLN 35 2HE2 GLN 35 3.578 4.550 -10.636 223 1HE2 GLN 35 1HE2 GLN 35 4.448 4.009 -11.989 224 H HIS 36 H HIS 36 3.669 3.473 -5.977 225 HA HIS 36 HA HIS 36 5.949 2.341 -4.775 226 1HB HIS 36 1HB HIS 36 3.694 4.122 -3.899 227 2HB HIS 36 2HB HIS 36 4.916 3.635 -2.725 228 HD1 HIS 36 HD1 HIS 36 4.426 6.544 -4.217 229 HD2 HIS 36 HD2 HIS 36 7.533 3.832 -4.819 230 HE1 HIS 36 HE1 HIS 36 6.351 7.867 -5.196 231 H ALA 37 H ALA 37 2.519 1.890 -3.809 232 HA ALA 37 HA ALA 37 2.809 0.190 -1.608 233 1HB ALA 37 1HB ALA 37 0.833 0.085 -3.914 234 2HB ALA 37 2HB ALA 37 0.586 -0.683 -2.346 235 3HB ALA 37 3HB ALA 37 0.686 1.074 -2.461 236 H GLN 38 H GLN 38 3.044 -0.630 -5.068 237 HA GLN 38 HA GLN 38 3.207 -3.484 -4.762 238 1HB GLN 38 1HB GLN 38 3.570 -1.412 -6.798 239 2HB GLN 38 2HB GLN 38 4.688 -2.758 -7.013 240 1HG GLN 38 1HG GLN 38 2.311 -4.036 -6.414 241 2HG GLN 38 2HG GLN 38 1.783 -2.672 -7.400 242 2HE2 GLN 38 2HE2 GLN 38 2.039 -2.889 -9.639 243 1HE2 GLN 38 1HE2 GLN 38 2.982 -4.086 -10.388 244 H ASN 39 H ASN 39 5.617 -0.884 -4.687 245 HA ASN 39 HA ASN 39 7.831 -2.823 -4.317 246 1HB ASN 39 1HB ASN 39 7.670 0.206 -4.479 247 2HB ASN 39 2HB ASN 39 9.175 -0.710 -4.393 248 2HD2 ASN 39 2HD2 ASN 39 8.563 0.937 -6.662 249 1HD2 ASN 39 1HD2 ASN 39 8.328 -0.074 -8.005 250 H LEU 40 H LEU 40 5.550 -2.156 -2.302 251 HA LEU 40 HA LEU 40 5.344 -1.916 0.020 252 1HB LEU 40 1HB LEU 40 8.174 -2.890 -0.403 253 2HB LEU 40 2HB LEU 40 7.507 -2.670 1.215 254 HG LEU 40 HG LEU 40 5.502 -4.086 0.284 255 1HD1 LEU 40 1HD1 LEU 40 7.569 -4.293 -1.816 256 2HD1 LEU 40 2HD1 LEU 40 6.902 -5.839 -1.289 257 3HD1 LEU 40 3HD1 LEU 40 5.833 -4.582 -1.914 258 1HD2 LEU 40 1HD2 LEU 40 7.410 -4.664 1.992 259 2HD2 LEU 40 2HD2 LEU 40 6.449 -5.972 1.305 260 3HD2 LEU 40 3HD2 LEU 40 8.057 -5.631 0.667 261 H GLU 41 H GLU 41 6.363 0.418 -1.675 262 HA GLU 41 HA GLU 41 8.236 1.938 -0.092 263 1HB GLU 41 1HB GLU 41 6.652 2.170 -2.484 264 2HB GLU 41 2HB GLU 41 6.446 3.633 -1.520 265 1HG GLU 41 2HG GLU 41 8.363 3.952 -2.968 266 2HG GLU 41 1HG GLU 41 8.948 3.771 -1.314 267 H PHE 42 H PHE 42 4.681 1.988 -0.343 268 HA PHE 42 HA PHE 42 3.048 2.880 1.107 269 1HB PHE 42 1HB PHE 42 5.201 1.594 2.748 270 2HB PHE 42 2HB PHE 42 3.897 2.433 3.586 271 HD1 PHE 42 HD1 PHE 42 1.551 1.939 1.905 272 HD2 PHE 42 HD2 PHE 42 4.792 -0.715 2.953 273 HE1 PHE 42 HE1 PHE 42 0.057 -0.025 1.554 274 HE2 PHE 42 HE2 PHE 42 3.296 -2.678 2.603 275 HZ PHE 42 HZ PHE 42 0.928 -2.330 1.905 276 H GLU 43 H GLU 43 2.933 4.313 3.250 277 HA GLU 43 HA GLU 43 3.219 6.399 4.260 278 1HB GLU 43 1HB GLU 43 5.506 5.637 4.673 279 2HB GLU 43 2HB GLU 43 5.980 6.061 3.032 280 1HG GLU 43 1HG GLU 43 5.267 8.438 3.553 281 2HG GLU 43 2HG GLU 43 5.140 7.940 5.242 282 H GLU 44 H GLU 44 5.005 6.503 1.209 283 HA GLU 44 HA GLU 44 3.810 9.082 0.476 284 1HB GLU 44 1HB GLU 44 5.319 8.877 -1.440 285 2HB GLU 44 2HB GLU 44 6.181 8.418 0.028 286 1HG GLU 44 1HG GLU 44 5.852 6.052 -0.463 287 2HG GLU 44 2HG GLU 44 4.860 6.452 -1.865 288 H ALA 45 H ALA 45 3.427 5.663 -0.377 289 HA ALA 45 HA ALA 45 1.671 6.208 -2.659 290 1HB ALA 45 1HB ALA 45 1.690 3.562 -1.323 291 2HB ALA 45 3HB ALA 45 3.266 4.162 -1.842 292 3HB ALA 45 2HB ALA 45 1.965 3.967 -3.017 293 H ALA 46 H ALA 46 1.198 5.005 0.678 294 HA ALA 46 HA ALA 46 -1.679 4.753 0.369 295 1HB ALA 46 1HB ALA 46 -0.058 3.536 1.935 296 2HB ALA 46 3HB ALA 46 -0.093 4.993 2.930 297 3HB ALA 46 2HB ALA 46 -1.576 4.079 2.650 298 H GLN 47 H GLN 47 0.473 7.296 1.617 299 HA GLN 47 HA GLN 47 -1.410 8.924 2.951 300 1HB GLN 47 1HB GLN 47 1.154 9.287 1.469 301 2HB GLN 47 2HB GLN 47 0.228 10.744 1.829 302 1HG GLN 47 1HG GLN 47 0.137 10.077 4.219 303 2HG GLN 47 2HG GLN 47 1.123 8.662 3.846 304 2HE2 GLN 47 2HE2 GLN 47 2.041 10.675 5.672 305 1HE2 GLN 47 1HE2 GLN 47 3.370 11.464 4.971 306 H ILE 48 H ILE 48 -0.981 8.321 -0.473 307 HA ILE 48 HA ILE 48 -2.311 10.616 -1.540 308 HB ILE 48 HB ILE 48 -2.112 7.742 -2.499 309 1HG1 ILE 48 1HG1 ILE 48 -0.415 10.196 -3.062 310 2HG1 ILE 48 2HG1 ILE 48 0.066 8.819 -2.069 311 1HG2 ILE 48 1HG2 ILE 48 -3.877 9.280 -3.583 312 2HG2 ILE 48 2HG2 ILE 48 -2.508 10.204 -4.204 313 3HG2 ILE 48 3HG2 ILE 48 -2.711 8.512 -4.661 314 1HD1 ILE 48 1HD1 ILE 48 -0.821 7.714 -4.501 315 2HD1 ILE 48 2HD1 ILE 48 0.161 9.107 -4.950 316 3HD1 ILE 48 3HD1 ILE 48 0.846 7.835 -3.939 317 H ARG 49 H ARG 49 -3.535 7.689 -0.020 318 HA ARG 49 HA ARG 49 -6.175 7.583 -0.992 319 1HB ARG 49 2HB ARG 49 -6.639 6.445 1.120 320 2HB ARG 49 1HB ARG 49 -5.023 5.998 0.576 321 1HG ARG 49 2HG ARG 49 -4.443 6.562 2.714 322 2HG ARG 49 1HG ARG 49 -4.434 8.198 2.055 323 1HD ARG 49 1HD ARG 49 -7.067 7.988 2.642 324 2HD ARG 49 2HD ARG 49 -6.396 6.919 3.890 325 HE ARG 49 HE ARG 49 -4.777 9.261 3.755 326 1HH1 ARG 49 1HH1 ARG 49 -8.040 9.563 3.716 327 2HH1 ARG 49 2HH1 ARG 49 -8.216 10.197 5.319 328 1HH2 ARG 49 1HH2 ARG 49 -4.946 9.503 6.239 329 2HH2 ARG 49 2HH2 ARG 49 -6.465 10.163 6.747 330 H ASP 50 H ASP 50 -4.680 9.907 1.159 331 HA ASP 50 HA ASP 50 -7.179 11.047 2.153 332 1HB ASP 50 1HB ASP 50 -4.609 11.038 2.970 333 2HB ASP 50 2HB ASP 50 -4.619 12.576 2.108 334 H GLN 51 H GLN 51 -4.804 11.878 -0.376 335 HA GLN 51 HA GLN 51 -5.988 14.367 -1.169 336 1HB GLN 51 1HB GLN 51 -4.374 12.300 -2.702 337 2HB GLN 51 2HB GLN 51 -4.616 13.972 -3.207 338 1HG GLN 51 1HG GLN 51 -3.476 14.792 -1.223 339 2HG GLN 51 2HG GLN 51 -3.345 13.155 -0.580 340 2HE2 GLN 51 2HE2 GLN 51 -2.830 14.078 -3.995 341 1HE2 GLN 51 1HE2 GLN 51 -1.187 13.658 -4.030 342 H LEU 52 H LEU 52 -6.554 11.005 -2.171 343 HA LEU 52 HA LEU 52 -8.347 11.624 -4.352 344 1HB LEU 52 1HB LEU 52 -7.197 9.358 -2.988 345 2HB LEU 52 2HB LEU 52 -8.923 9.082 -3.221 346 HG LEU 52 HG LEU 52 -7.628 8.278 -5.164 347 1HD1 LEU 52 1HD1 LEU 52 -9.765 10.226 -5.217 348 2HD1 LEU 52 2HD1 LEU 52 -8.763 10.386 -6.659 349 3HD1 LEU 52 3HD1 LEU 52 -9.508 8.835 -6.272 350 1HD2 LEU 52 1HD2 LEU 52 -6.097 10.567 -4.689 351 2HD2 LEU 52 2HD2 LEU 52 -5.941 9.481 -6.070 352 3HD2 LEU 52 3HD2 LEU 52 -6.947 10.923 -6.193 353 H HIS 53 H HIS 53 -8.851 10.792 -0.915 354 HA HIS 53 HA HIS 53 -11.664 10.610 -0.868 355 1HB HIS 53 1HB HIS 53 -9.432 11.080 0.957 356 2HB HIS 53 2HB HIS 53 -10.897 11.906 1.488 357 HD1 HIS 53 HD1 HIS 53 -11.581 10.308 3.352 358 HD2 HIS 53 HD2 HIS 53 -10.963 8.364 -0.284 359 HE1 HIS 53 HE1 HIS 53 -12.413 7.935 3.657 360 H GLN 54 H GLN 54 -9.587 13.503 -0.679 361 HA GLN 54 HA GLN 54 -11.861 15.332 -0.422 362 1HB GLN 54 1HB GLN 54 -8.912 15.731 -1.032 363 2HB GLN 54 2HB GLN 54 -10.040 17.018 -0.600 364 1HG GLN 54 1HG GLN 54 -10.111 16.403 1.606 365 2HG GLN 54 2HG GLN 54 -9.948 14.685 1.238 366 2HE2 GLN 54 2HE2 GLN 54 -8.356 15.799 3.288 367 1HE2 GLN 54 1HE2 GLN 54 -6.738 15.849 2.777 368 H LEU 55 H LEU 55 -9.825 14.080 -3.017 369 HA LEU 55 HA LEU 55 -10.580 15.991 -5.038 370 1HB LEU 55 1HB LEU 55 -9.114 13.466 -4.750 371 2HB LEU 55 2HB LEU 55 -9.911 13.627 -6.316 372 HG LEU 55 HG LEU 55 -8.642 16.119 -5.513 373 1HD1 LEU 55 1HD1 LEU 55 -7.186 13.670 -4.985 374 2HD1 LEU 55 2HD1 LEU 55 -6.391 14.600 -6.254 375 3HD1 LEU 55 3HD1 LEU 55 -6.700 15.337 -4.681 376 1HD2 LEU 55 1HD2 LEU 55 -8.544 14.212 -7.854 377 2HD2 LEU 55 2HD2 LEU 55 -9.248 15.828 -7.785 378 3HD2 LEU 55 3HD2 LEU 55 -7.496 15.629 -7.783 379 H ARG 56 H ARG 56 -11.884 12.825 -4.078 380 HA ARG 56 HA ARG 56 -13.733 12.466 -6.201 381 1HB ARG 56 2HB ARG 56 -14.773 10.904 -4.644 382 2HB ARG 56 1HB ARG 56 -13.022 10.834 -4.438 383 1HG ARG 56 2HG ARG 56 -13.344 11.250 -2.249 384 2HG ARG 56 1HG ARG 56 -13.874 12.869 -2.703 385 1HD ARG 56 1HD ARG 56 -16.201 11.925 -3.040 386 2HD ARG 56 2HD ARG 56 -15.615 10.413 -2.318 387 HE ARG 56 HE ARG 56 -14.783 12.400 -0.551 388 1HH1 ARG 56 1HH1 ARG 56 -17.449 10.465 -1.205 389 2HH1 ARG 56 2HH1 ARG 56 -18.546 11.326 -0.178 390 1HH2 ARG 56 1HH2 ARG 56 -16.330 13.913 0.470 391 2HH2 ARG 56 2HH2 ARG 56 -17.913 13.278 0.770 392 H GLU 57 H GLU 57 -13.794 14.653 -3.486 393 HA GLU 57 HA GLU 57 -16.625 15.127 -3.331 394 1HB GLU 57 2HB GLU 57 -14.289 16.987 -2.779 395 2HB GLU 57 1HB GLU 57 -15.909 17.114 -2.092 396 1HG GLU 57 1HG GLU 57 -15.520 14.731 -1.190 397 2HG GLU 57 2HG GLU 57 -13.819 15.000 -1.571 398 H LEU 58 H LEU 58 -14.025 16.599 -5.264 399 HA LEU 58 HA LEU 58 -15.399 18.777 -6.405 400 1HB LEU 58 1HB LEU 58 -13.164 16.947 -7.132 401 2HB LEU 58 2HB LEU 58 -13.819 17.942 -8.432 402 HG LEU 58 HG LEU 58 -13.383 19.378 -5.891 403 1HD1 LEU 58 1HD1 LEU 58 -11.426 17.672 -6.215 404 2HD1 LEU 58 2HD1 LEU 58 -10.943 18.740 -7.533 405 3HD1 LEU 58 3HD1 LEU 58 -11.039 19.360 -5.884 406 1HD2 LEU 58 1HD2 LEU 58 -13.959 20.149 -8.375 407 2HD2 LEU 58 2HD2 LEU 58 -12.955 21.149 -7.325 408 3HD2 LEU 58 3HD2 LEU 58 -12.203 20.117 -8.542 409 H PHE 59 H PHE 59 -15.827 15.357 -6.957 410 HA PHE 59 HA PHE 59 -16.935 15.249 -9.536 411 1HB PHE 59 1HB PHE 59 -16.475 13.313 -8.105 412 2HB PHE 59 2HB PHE 59 -17.733 13.822 -6.978 413 HD1 PHE 59 HD1 PHE 59 -20.128 13.693 -7.596 414 HD2 PHE 59 HD2 PHE 59 -17.023 12.294 -10.251 415 HE1 PHE 59 HE1 PHE 59 -21.832 12.477 -8.948 416 HE2 PHE 59 HE2 PHE 59 -18.729 11.078 -11.604 417 HZ PHE 59 HZ PHE 59 -21.133 11.169 -10.952 418 H ILE 60 H ILE 60 -18.449 16.295 -6.495 419 HA ILE 60 HA ILE 60 -21.119 16.566 -7.608 420 HB ILE 60 HB ILE 60 -19.766 17.754 -5.162 421 1HG1 ILE 60 1HG1 ILE 60 -21.679 15.550 -4.836 422 2HG1 ILE 60 2HG1 ILE 60 -20.248 15.094 -5.761 423 1HG2 ILE 60 1HG2 ILE 60 -21.939 18.835 -5.968 424 2HG2 ILE 60 2HG2 ILE 60 -22.721 17.292 -5.620 425 3HG2 ILE 60 3HG2 ILE 60 -21.956 18.207 -4.321 426 1HD1 ILE 60 1HD1 ILE 60 -18.833 16.098 -3.944 427 2HD1 ILE 60 2HD1 ILE 60 -20.303 16.346 -3.001 428 3HD1 ILE 60 3HD1 ILE 60 -19.782 14.712 -3.412 429 H ALA 61 H ALA 61 -18.439 18.834 -6.953 430 HA ALA 61 HA ALA 61 -19.835 21.211 -7.783 431 1HB ALA 61 1HB ALA 61 -17.632 20.795 -6.428 432 2HB ALA 61 3HB ALA 61 -16.863 20.772 -8.014 433 3HB ALA 61 2HB ALA 61 -17.727 22.212 -7.475 434 H ALA 62 H ALA 62 -18.283 18.627 -9.537 435 HA ALA 62 HA ALA 62 -18.268 20.235 -12.053 436 1HB ALA 62 1HB ALA 62 -17.113 17.539 -11.268 437 2HB ALA 62 3HB ALA 62 -16.922 18.277 -12.858 438 3HB ALA 62 2HB ALA 62 -16.221 19.051 -11.437 439 H SER 63 H SER 63 -19.136 16.886 -11.082 440 HA SER 63 HA SER 63 -21.057 16.705 -13.311 441 1HB SER 63 1HB SER 63 -19.391 14.949 -12.181 442 2HB SER 63 2HB SER 63 -20.784 14.659 -11.143 443 HG SER 63 HG SER 63 -20.375 13.679 -13.514 444 H LEU 8 H LEU 8 6.333 -17.276 -11.582 445 HA LEU 8 HA LEU 8 9.130 -16.581 -10.922 446 1HB LEU 8 1HB LEU 8 8.069 -17.281 -13.202 447 2HB LEU 8 2HB LEU 8 7.510 -15.610 -13.272 448 HG LEU 8 HG LEU 8 10.262 -15.605 -12.479 449 1HD1 LEU 8 1HD1 LEU 8 9.591 -17.295 -14.902 450 2HD1 LEU 8 2HD1 LEU 8 11.179 -16.573 -14.638 451 3HD1 LEU 8 3HD1 LEU 8 10.551 -17.764 -13.499 452 1HD2 LEU 8 1HD2 LEU 8 8.487 -14.491 -14.557 453 2HD2 LEU 8 2HD2 LEU 8 9.761 -13.702 -13.627 454 3HD2 LEU 8 3HD2 LEU 8 10.172 -14.652 -15.055 455 H GLU 9 H GLU 9 6.746 -15.479 -9.385 456 HA GLU 9 HA GLU 9 6.531 -12.663 -10.106 457 1HB GLU 9 1HB GLU 9 5.432 -14.590 -8.210 458 2HB GLU 9 2HB GLU 9 5.723 -13.024 -7.454 459 1HG GLU 9 1HG GLU 9 4.620 -12.325 -9.892 460 2HG GLU 9 2HG GLU 9 3.722 -13.781 -9.460 461 HA PRO 10 HA PRO 10 9.350 -11.986 -6.318 462 1HB PRO 10 1HB PRO 10 10.446 -14.161 -5.072 463 2HB PRO 10 2HB PRO 10 8.869 -13.480 -4.621 464 1HG PRO 10 2HG PRO 10 9.496 -15.877 -6.264 465 2HG PRO 10 1HG PRO 10 8.192 -15.616 -5.097 466 1HD PRO 10 1HD PRO 10 7.862 -15.494 -7.810 467 2HD PRO 10 2HD PRO 10 6.830 -14.640 -6.644 468 H ASP 11 H ASP 11 10.484 -15.084 -7.738 469 HA ASP 11 HA ASP 11 12.433 -15.589 -8.966 470 1HB ASP 11 1HB ASP 11 11.528 -12.937 -9.684 471 2HB ASP 11 2HB ASP 11 13.288 -13.011 -9.768 472 H ASN 12 H ASN 12 13.454 -12.343 -7.950 473 HA ASN 12 HA ASN 12 15.248 -13.502 -5.882 474 1HB ASN 12 1HB ASN 12 16.210 -13.435 -8.326 475 2HB ASN 12 2HB ASN 12 16.373 -11.707 -8.020 476 2HD2 ASN 12 2HD2 ASN 12 17.279 -11.440 -5.499 477 1HD2 ASN 12 1HD2 ASN 12 18.696 -12.332 -5.226 478 H VAL 13 H VAL 13 12.923 -11.484 -6.205 479 HA VAL 13 HA VAL 13 14.100 -8.893 -5.554 480 HB VAL 13 HB VAL 13 11.409 -10.143 -5.911 481 1HG1 VAL 13 1HG1 VAL 13 11.930 -7.710 -4.219 482 2HG1 VAL 13 2HG1 VAL 13 10.484 -7.777 -5.226 483 3HG1 VAL 13 3HG1 VAL 13 10.746 -8.996 -3.979 484 1HG2 VAL 13 1HG2 VAL 13 12.861 -8.948 -7.661 485 2HG2 VAL 13 2HG2 VAL 13 11.170 -8.459 -7.556 486 3HG2 VAL 13 3HG2 VAL 13 12.425 -7.456 -6.829 487 HA PRO 14 HA PRO 14 12.562 -9.874 -1.153 488 1HB PRO 14 1HB PRO 14 11.515 -12.342 -0.617 489 2HB PRO 14 2HB PRO 14 10.529 -10.979 -1.183 490 1HG PRO 14 2HG PRO 14 11.568 -13.318 -2.690 491 2HG PRO 14 1HG PRO 14 10.029 -12.459 -2.853 492 1HD PRO 14 1HD PRO 14 12.166 -12.127 -4.542 493 2HD PRO 14 2HD PRO 14 10.896 -10.917 -4.273 494 H MET 15 H MET 15 13.483 -13.061 -2.512 495 HA MET 15 HA MET 15 15.254 -14.508 -1.936 496 1HB MET 15 1HB MET 15 16.165 -12.025 -2.649 497 2HB MET 15 2HB MET 15 16.926 -12.228 -1.071 498 1HG MET 15 1HG MET 15 17.648 -14.549 -1.893 499 2HG MET 15 2HG MET 15 17.182 -14.003 -3.504 500 1HE MET 15 1HE MET 15 19.393 -15.014 -3.606 501 2HE MET 15 2HE MET 15 20.065 -13.770 -4.669 502 3HE MET 15 3HE MET 15 20.940 -14.262 -3.222 503 H ASP 16 H ASP 16 17.311 -13.802 0.110 504 HA ASP 16 HA ASP 16 17.642 -14.104 2.426 505 1HB ASP 16 1HB ASP 16 15.608 -12.146 1.964 506 2HB ASP 16 2HB ASP 16 15.132 -13.093 3.374 507 H MET 17 H MET 17 17.169 -16.470 1.627 508 HA MET 17 HA MET 17 14.767 -17.852 1.964 509 1HB MET 17 1HB MET 17 16.238 -19.791 2.393 510 2HB MET 17 2HB MET 17 16.910 -18.764 1.126 511 1HG MET 17 1HG MET 17 18.310 -17.632 2.883 512 2HG MET 17 2HG MET 17 17.736 -18.831 4.042 513 1HE MET 17 1HE MET 17 20.164 -18.513 4.200 514 2HE MET 17 2HE MET 17 20.957 -20.078 4.039 515 3HE MET 17 3HE MET 17 21.328 -18.789 2.896 516 H SER 18 H SER 18 16.881 -16.545 4.451 517 HA SER 18 HA SER 18 16.631 -16.430 6.797 518 1HB SER 18 1HB SER 18 13.988 -16.410 5.529 519 2HB SER 18 2HB SER 18 13.938 -16.990 7.191 520 HG SER 18 HG SER 18 14.558 -14.491 6.175 521 HA PRO 19 HA PRO 19 16.692 -20.554 8.316 522 1HB PRO 19 1HB PRO 19 16.096 -20.220 10.959 523 2HB PRO 19 2HB PRO 19 17.639 -19.719 10.241 524 1HG PRO 19 1HG PRO 19 15.310 -18.086 11.038 525 2HG PRO 19 2HG PRO 19 17.029 -17.676 11.032 526 1HD PRO 19 1HD PRO 19 15.161 -16.878 9.128 527 2HD PRO 19 2HD PRO 19 16.924 -16.843 8.930 528 H LYS 20 H LYS 20 14.249 -20.184 7.005 529 HA LYS 20 HA LYS 20 12.105 -21.124 6.842 530 1HB LYS 20 1HB LYS 20 13.483 -23.063 7.614 531 2HB LYS 20 2HB LYS 20 13.049 -22.667 9.276 532 1HG LYS 20 1HG LYS 20 10.789 -22.886 7.365 533 2HG LYS 20 2HG LYS 20 11.622 -24.392 7.752 534 1HD LYS 20 1HD LYS 20 11.410 -23.326 10.235 535 2HD LYS 20 2HD LYS 20 9.962 -22.652 9.488 536 1HE LYS 20 1HE LYS 20 10.321 -25.477 8.811 537 2HE LYS 20 2HE LYS 20 10.168 -25.213 10.559 538 1HZ LYS 20 1HZ LYS 20 8.395 -23.944 8.545 539 2HZ LYS 20 2HZ LYS 20 8.002 -25.381 9.360 540 3HZ LYS 20 3HZ LYS 20 8.205 -23.936 10.230 541 H ALA 21 H ALA 21 12.477 -21.217 10.405 542 HA ALA 21 HA ALA 21 9.907 -20.547 11.162 543 1HB ALA 21 1HB ALA 21 12.640 -19.974 12.267 544 2HB ALA 21 3HB ALA 21 11.220 -19.363 13.116 545 3HB ALA 21 2HB ALA 21 11.417 -21.097 12.858 546 H LEU 22 H LEU 22 12.506 -18.164 10.533 547 HA LEU 22 HA LEU 22 10.659 -15.901 10.803 548 1HB LEU 22 1HB LEU 22 13.550 -16.316 10.022 549 2HB LEU 22 2HB LEU 22 12.796 -14.724 9.923 550 HG LEU 22 HG LEU 22 12.095 -15.027 12.345 551 1HD1 LEU 22 1HD1 LEU 22 13.681 -17.511 11.864 552 2HD1 LEU 22 2HD1 LEU 22 13.821 -16.738 13.443 553 3HD1 LEU 22 3HD1 LEU 22 12.245 -17.275 12.858 554 1HD2 LEU 22 1HD2 LEU 22 14.950 -14.826 11.416 555 2HD2 LEU 22 2HD2 LEU 22 13.908 -13.566 12.074 556 3HD2 LEU 22 3HD2 LEU 22 14.591 -14.793 13.142 557 H GLN 23 H GLN 23 12.240 -17.691 8.203 558 HA GLN 23 HA GLN 23 11.680 -16.092 5.964 559 1HB GLN 23 1HB GLN 23 12.955 -18.251 6.078 560 2HB GLN 23 2HB GLN 23 11.417 -19.107 6.191 561 1HG GLN 23 1HG GLN 23 10.782 -17.842 4.023 562 2HG GLN 23 2HG GLN 23 12.508 -17.511 3.876 563 2HE2 GLN 23 2HE2 GLN 23 11.183 -19.154 1.957 564 1HE2 GLN 23 1HE2 GLN 23 11.748 -20.746 2.122 565 H GLN 24 H GLN 24 9.521 -18.479 7.531 566 HA GLN 24 HA GLN 24 7.312 -17.976 5.701 567 1HB GLN 24 1HB GLN 24 7.851 -20.075 7.044 568 2HB GLN 24 2HB GLN 24 7.267 -19.211 8.467 569 1HG GLN 24 1HG GLN 24 5.450 -19.062 6.157 570 2HG GLN 24 2HG GLN 24 5.681 -20.695 6.781 571 2HE2 GLN 24 2HE2 GLN 24 3.243 -18.980 7.040 572 1HE2 GLN 24 1HE2 GLN 24 2.975 -18.810 8.708 573 H LYS 25 H LYS 25 7.898 -17.152 9.143 574 HA LYS 25 HA LYS 25 5.564 -15.662 9.644 575 1HB LYS 25 1HB LYS 25 8.320 -15.893 10.676 576 2HB LYS 25 2HB LYS 25 7.531 -14.363 11.058 577 1HG LYS 25 1HG LYS 25 6.181 -15.346 12.572 578 2HG LYS 25 2HG LYS 25 5.717 -16.606 11.428 579 1HD LYS 25 1HD LYS 25 7.204 -18.090 12.283 580 2HD LYS 25 2HD LYS 25 8.473 -16.872 12.419 581 1HE LYS 25 1HE LYS 25 7.590 -16.063 14.512 582 2HE LYS 25 2HE LYS 25 6.117 -17.037 14.329 583 1HZ LYS 25 1HZ LYS 25 7.535 -19.029 14.254 584 2HZ LYS 25 2HZ LYS 25 8.896 -18.064 14.575 585 3HZ LYS 25 3HZ LYS 25 7.666 -18.207 15.735 586 H ILE 26 H ILE 26 8.569 -14.654 8.035 587 HA ILE 26 HA ILE 26 7.764 -11.850 7.832 588 HB ILE 26 HB ILE 26 9.918 -13.526 6.501 589 1HG1 ILE 26 1HG1 ILE 26 10.132 -11.551 8.792 590 2HG1 ILE 26 2HG1 ILE 26 9.950 -13.290 9.030 591 1HG2 ILE 26 1HG2 ILE 26 9.008 -11.000 5.753 592 2HG2 ILE 26 2HG2 ILE 26 10.402 -10.660 6.778 593 3HG2 ILE 26 3HG2 ILE 26 10.581 -11.692 5.359 594 1HD1 ILE 26 1HD1 ILE 26 11.984 -13.452 7.378 595 2HD1 ILE 26 2HD1 ILE 26 12.262 -11.776 7.851 596 3HD1 ILE 26 3HD1 ILE 26 12.273 -13.051 9.071 597 H HIS 27 H HIS 27 8.004 -14.592 5.540 598 HA HIS 27 HA HIS 27 7.078 -13.205 3.225 599 1HB HIS 27 1HB HIS 27 8.199 -15.467 3.415 600 2HB HIS 27 2HB HIS 27 6.657 -16.113 3.974 601 HD1 HIS 27 HD1 HIS 27 5.604 -13.666 1.714 602 HD2 HIS 27 HD2 HIS 27 7.399 -17.391 1.176 603 HE1 HIS 27 HE1 HIS 27 5.093 -14.371 -0.664 604 H GLU 28 H GLU 28 5.377 -14.413 6.019 605 HA GLU 28 HA GLU 28 2.747 -14.535 4.752 606 1HB GLU 28 1HB GLU 28 4.028 -15.295 7.176 607 2HB GLU 28 2HB GLU 28 2.685 -14.237 7.614 608 1HG GLU 28 2HG GLU 28 1.840 -16.502 7.516 609 2HG GLU 28 1HG GLU 28 1.205 -15.627 6.123 610 H LEU 29 H LEU 29 4.252 -12.324 7.146 611 HA LEU 29 HA LEU 29 2.072 -10.401 6.986 612 1HB LEU 29 1HB LEU 29 4.900 -10.273 8.084 613 2HB LEU 29 2HB LEU 29 3.643 -9.078 8.406 614 HG LEU 29 HG LEU 29 2.988 -11.944 8.927 615 1HD1 LEU 29 1HD1 LEU 29 5.354 -10.973 9.932 616 2HD1 LEU 29 2HD1 LEU 29 4.217 -10.542 11.209 617 3HD1 LEU 29 3HD1 LEU 29 4.378 -12.223 10.703 618 1HD2 LEU 29 1HD2 LEU 29 1.475 -9.855 9.204 619 2HD2 LEU 29 2HD2 LEU 29 1.526 -11.010 10.535 620 3HD2 LEU 29 3HD2 LEU 29 2.450 -9.512 10.633 621 H GLU 30 H GLU 30 5.286 -10.707 5.508 622 HA GLU 30 HA GLU 30 5.388 -8.076 4.343 623 1HB GLU 30 1HB GLU 30 7.282 -9.683 4.725 624 2HB GLU 30 2HB GLU 30 6.647 -10.676 3.413 625 1HG GLU 30 1HG GLU 30 6.723 -8.356 2.104 626 2HG GLU 30 2HG GLU 30 7.976 -8.001 3.295 627 H GLY 31 H GLY 31 4.136 -11.199 3.187 628 1HA GLY 31 2HA GLY 31 3.011 -11.732 1.178 629 2HA GLY 31 1HA GLY 31 3.519 -10.172 0.529 630 H LEU 32 H LEU 32 1.832 -10.464 3.596 631 HA LEU 32 HA LEU 32 -0.853 -10.140 2.679 632 1HB LEU 32 1HB LEU 32 0.260 -10.685 5.010 633 2HB LEU 32 2HB LEU 32 0.180 -8.936 5.232 634 HG LEU 32 HG LEU 32 -2.323 -9.417 4.289 635 1HD1 LEU 32 1HD1 LEU 32 -1.278 -11.982 4.918 636 2HD1 LEU 32 2HD1 LEU 32 -2.438 -11.579 6.184 637 3HD1 LEU 32 3HD1 LEU 32 -2.939 -11.572 4.493 638 1HD2 LEU 32 1HD2 LEU 32 -1.193 -9.426 7.089 639 2HD2 LEU 32 2HD2 LEU 32 -2.039 -8.126 6.249 640 3HD2 LEU 32 3HD2 LEU 32 -2.931 -9.539 6.812 641 H MET 33 H MET 33 1.726 -7.795 3.322 642 HA MET 33 HA MET 33 0.239 -5.390 3.341 643 1HB MET 33 1HB MET 33 2.997 -6.292 2.673 644 2HB MET 33 2HB MET 33 2.545 -4.676 2.127 645 1HG MET 33 1HG MET 33 2.559 -3.845 4.232 646 2HG MET 33 2HG MET 33 1.694 -5.241 4.876 647 1HE MET 33 1HE MET 33 4.854 -4.975 2.755 648 2HE MET 33 2HE MET 33 5.184 -3.702 3.928 649 3HE MET 33 3HE MET 33 6.186 -5.160 3.894 650 H MET 34 H MET 34 1.191 -7.454 0.640 651 HA MET 34 HA MET 34 0.552 -5.528 -1.444 652 1HB MET 34 1HB MET 34 2.044 -7.701 -1.373 653 2HB MET 34 2HB MET 34 0.534 -8.516 -1.779 654 1HG MET 34 1HG MET 34 0.500 -7.672 -3.893 655 2HG MET 34 2HG MET 34 1.095 -6.095 -3.375 656 1HE MET 34 1HE MET 34 3.142 -5.508 -2.718 657 2HE MET 34 2HE MET 34 4.144 -6.763 -1.992 658 3HE MET 34 3HE MET 34 4.640 -5.997 -3.508 659 H GLN 35 H GLN 35 -1.225 -8.057 0.278 660 HA GLN 35 HA GLN 35 -3.474 -8.344 -1.418 661 1HB GLN 35 1HB GLN 35 -3.004 -9.764 0.507 662 2HB GLN 35 2HB GLN 35 -3.182 -8.396 1.604 663 1HG GLN 35 2HG GLN 35 -5.359 -8.963 1.786 664 2HG GLN 35 1HG GLN 35 -5.555 -8.407 0.124 665 2HE2 GLN 35 2HE2 GLN 35 -3.828 -11.314 1.362 666 1HE2 GLN 35 1HE2 GLN 35 -4.751 -12.424 0.472 667 H HIS 36 H HIS 36 -3.736 -6.541 1.646 668 HA HIS 36 HA HIS 36 -5.966 -4.984 0.923 669 1HB HIS 36 1HB HIS 36 -3.681 -4.731 2.856 670 2HB HIS 36 2HB HIS 36 -4.856 -3.422 2.733 671 HD1 HIS 36 HD1 HIS 36 -4.424 -5.693 5.097 672 HD2 HIS 36 HD2 HIS 36 -7.552 -5.389 2.358 673 HE1 HIS 36 HE1 HIS 36 -6.385 -6.932 6.111 674 H ALA 37 H ALA 37 -2.501 -4.063 0.726 675 HA ALA 37 HA ALA 37 -2.704 -1.462 -0.280 676 1HB ALA 37 1HB ALA 37 -0.615 -2.609 0.305 677 2HB ALA 37 3HB ALA 37 -0.818 -3.717 -1.052 678 3HB ALA 37 2HB ALA 37 -0.510 -2.006 -1.349 679 H GLN 38 H GLN 38 -3.078 -4.537 -2.040 680 HA GLN 38 HA GLN 38 -3.228 -3.429 -4.689 681 1HB GLN 38 1HB GLN 38 -3.670 -5.954 -3.274 682 2HB GLN 38 2HB GLN 38 -4.796 -5.737 -4.614 683 1HG GLN 38 1HG GLN 38 -2.398 -4.889 -5.696 684 2HG GLN 38 2HG GLN 38 -1.907 -6.240 -4.671 685 2HE2 GLN 38 2HE2 GLN 38 -2.250 -8.314 -5.510 686 1HE2 GLN 38 1HE2 GLN 38 -3.220 -8.661 -6.859 687 H ASN 39 H ASN 39 -5.634 -4.002 -2.149 688 HA ASN 39 HA ASN 39 -7.832 -3.017 -3.879 689 1HB ASN 39 1HB ASN 39 -7.677 -4.035 -1.021 690 2HB ASN 39 2HB ASN 39 -9.177 -3.637 -1.859 691 2HD2 ASN 39 2HD2 ASN 39 -8.654 -6.299 -0.927 692 1HD2 ASN 39 1HD2 ASN 39 -8.472 -7.310 -2.278 693 H LEU 40 H LEU 40 -5.474 -1.360 -2.695 694 HA LEU 40 HA LEU 40 -5.179 0.792 -1.811 695 1HB LEU 40 1HB LEU 40 -8.024 0.766 -2.833 696 2HB LEU 40 2HB LEU 40 -7.295 2.230 -2.173 697 HG LEU 40 HG LEU 40 -5.328 1.666 -3.816 698 1HD1 LEU 40 1HD1 LEU 40 -7.473 -0.213 -4.587 699 2HD1 LEU 40 2HD1 LEU 40 -6.784 0.705 -5.926 700 3HD1 LEU 40 3HD1 LEU 40 -5.740 -0.288 -4.908 701 1HD2 LEU 40 1HD2 LEU 40 -7.169 3.536 -3.868 702 2HD2 LEU 40 2HD2 LEU 40 -6.234 3.210 -5.328 703 3HD2 LEU 40 3HD2 LEU 40 -7.867 2.562 -5.162 704 H GLU 41 H GLU 41 -6.263 -1.456 -0.040 705 HA GLU 41 HA GLU 41 -8.072 -0.298 1.888 706 1HB GLU 41 1HB GLU 41 -6.584 -2.716 1.416 707 2HB GLU 41 2HB GLU 41 -6.339 -2.214 3.090 708 1HG GLU 41 2HG GLU 41 -8.313 -3.619 3.008 709 2HG GLU 41 1HG GLU 41 -8.831 -1.959 3.306 710 H PHE 42 H PHE 42 -4.530 -0.691 1.826 711 HA PHE 42 HA PHE 42 -2.841 0.387 3.071 712 1HB PHE 42 1HB PHE 42 -4.929 2.402 2.321 713 2HB PHE 42 2HB PHE 42 -3.593 2.921 3.346 714 HD1 PHE 42 HD1 PHE 42 -1.317 1.354 2.375 715 HD2 PHE 42 HD2 PHE 42 -4.512 3.236 0.159 716 HE1 PHE 42 HE1 PHE 42 0.162 1.518 0.376 717 HE2 PHE 42 HE2 PHE 42 -3.028 3.397 -1.839 718 HZ PHE 42 HZ PHE 42 -0.691 2.540 -1.724 719 H GLU 43 H GLU 43 -2.642 2.035 5.045 720 HA GLU 43 HA GLU 43 -2.887 2.428 7.337 721 1HB GLU 43 1HB GLU 43 -5.156 3.126 6.749 722 2HB GLU 43 2HB GLU 43 -5.694 1.450 6.698 723 1HG GLU 43 1HG GLU 43 -4.959 1.252 9.116 724 2HG GLU 43 2HG GLU 43 -4.767 3.006 9.114 725 H GLU 44 H GLU 44 -4.791 -0.459 6.596 726 HA GLU 44 HA GLU 44 -3.625 -1.935 8.852 727 1HB GLU 44 2HB GLU 44 -5.208 -3.658 8.128 728 2HB GLU 44 1HB GLU 44 -6.012 -2.090 8.114 729 1HG GLU 44 1HG GLU 44 -5.701 -1.903 5.702 730 2HG GLU 44 2HG GLU 44 -4.765 -3.398 5.678 731 H ALA 45 H ALA 45 -3.275 -1.800 5.326 732 HA ALA 45 HA ALA 45 -1.610 -4.206 5.184 733 1HB ALA 45 1HB ALA 45 -3.173 -2.786 3.471 734 2HB ALA 45 2HB ALA 45 -1.920 -3.906 2.937 735 3HB ALA 45 3HB ALA 45 -1.579 -2.177 3.024 736 H ALA 46 H ALA 46 -1.002 -0.683 4.957 737 HA ALA 46 HA ALA 46 1.860 -1.024 4.598 738 1HB ALA 46 1HB ALA 46 1.855 1.357 4.587 739 2HB ALA 46 3HB ALA 46 0.304 0.892 3.890 740 3HB ALA 46 2HB ALA 46 0.390 1.433 5.567 741 H GLN 47 H GLN 47 -0.243 -0.461 7.413 742 HA GLN 47 HA GLN 47 1.690 0.288 9.332 743 1HB GLN 47 1HB GLN 47 -0.930 -1.138 9.290 744 2HB GLN 47 2HB GLN 47 0.010 -1.241 10.779 745 1HG GLN 47 1HG GLN 47 0.194 1.234 10.817 746 2HG GLN 47 2HG GLN 47 -0.805 1.315 9.365 747 2HE2 GLN 47 2HE2 GLN 47 -1.653 2.529 11.822 748 1HE2 GLN 47 1HE2 GLN 47 -3.008 1.684 12.395 749 H ILE 48 H ILE 48 1.124 -2.809 7.799 750 HA ILE 48 HA ILE 48 2.413 -4.529 9.683 751 HB ILE 48 HB ILE 48 2.176 -4.630 6.658 752 1HG1 ILE 48 1HG1 ILE 48 0.458 -5.798 8.873 753 2HG1 ILE 48 2HG1 ILE 48 0.016 -4.440 7.837 754 1HG2 ILE 48 1HG2 ILE 48 3.897 -6.169 7.809 755 2HG2 ILE 48 2HG2 ILE 48 2.505 -6.974 8.535 756 3HG2 ILE 48 3HG2 ILE 48 2.690 -6.942 6.781 757 1HD1 ILE 48 1HD1 ILE 48 0.808 -6.492 6.081 758 2HD1 ILE 48 2HD1 ILE 48 -0.191 -7.279 7.302 759 3HD1 ILE 48 3HD1 ILE 48 -0.836 -5.925 6.374 760 H ARG 49 H ARG 49 3.695 -2.292 7.291 761 HA ARG 49 HA ARG 49 6.296 -3.292 6.886 762 1HB ARG 49 1HB ARG 49 6.841 -0.963 6.385 763 2HB ARG 49 2HB ARG 49 5.205 -1.298 5.821 764 1HG ARG 49 2HG ARG 49 4.711 0.614 6.973 765 2HG ARG 49 1HG ARG 49 4.675 -0.480 8.356 766 1HD ARG 49 1HD ARG 49 7.329 0.042 8.291 767 2HD ARG 49 2HD ARG 49 6.708 1.565 7.624 768 HE ARG 49 HE ARG 49 5.084 0.836 9.851 769 1HH1 ARG 49 1HH1 ARG 49 8.342 0.591 10.096 770 2HH1 ARG 49 2HH1 ARG 49 8.582 1.942 11.153 771 1HH2 ARG 49 1HH2 ARG 49 5.350 3.142 10.782 772 2HH2 ARG 49 2HH2 ARG 49 6.887 3.386 11.543 773 H ASP 50 H ASP 50 4.885 -1.831 9.740 774 HA ASP 50 HA ASP 50 7.421 -1.294 11.085 775 1HB ASP 50 1HB ASP 50 4.884 -0.411 11.336 776 2HB ASP 50 2HB ASP 50 4.861 -1.673 12.569 777 H GLN 51 H GLN 51 4.948 -3.863 11.196 778 HA GLN 51 HA GLN 51 6.101 -5.371 13.347 779 1HB GLN 51 1HB GLN 51 4.429 -6.196 10.949 780 2HB GLN 51 2HB GLN 51 4.650 -7.162 12.409 781 1HG GLN 51 1HG GLN 51 3.589 -5.449 13.768 782 2HG GLN 51 2HG GLN 51 3.483 -4.365 12.379 783 2HE2 GLN 51 2HE2 GLN 51 2.835 -7.880 12.307 784 1HE2 GLN 51 1HE2 GLN 51 1.190 -7.732 11.912 785 H LEU 52 H LEU 52 6.627 -5.404 9.832 786 HA LEU 52 HA LEU 52 8.334 -7.735 9.792 787 1HB LEU 52 1HB LEU 52 7.237 -5.745 8.015 788 2HB LEU 52 2HB LEU 52 8.954 -5.956 7.666 789 HG LEU 52 HG LEU 52 7.584 -7.543 6.360 790 1HD1 LEU 52 1HD1 LEU 52 9.717 -8.223 8.190 791 2HD1 LEU 52 2HD1 LEU 52 8.659 -9.613 7.949 792 3HD1 LEU 52 3HD1 LEU 52 9.419 -8.832 6.563 793 1HD2 LEU 52 1HD2 LEU 52 6.072 -7.676 8.706 794 2HD2 LEU 52 2HD2 LEU 52 5.861 -8.686 7.277 795 3HD2 LEU 52 3HD2 LEU 52 6.862 -9.250 8.615 796 H HIS 53 H HIS 53 8.972 -4.225 9.958 797 HA HIS 53 HA HIS 53 11.784 -4.236 9.766 798 1HB HIS 53 1HB HIS 53 9.625 -2.535 10.756 799 2HB HIS 53 2HB HIS 53 11.110 -2.314 11.682 800 HD1 HIS 53 HD1 HIS 53 11.866 -0.102 10.667 801 HD2 HIS 53 HD2 HIS 53 11.107 -3.015 7.784 802 HE1 HIS 53 HE1 HIS 53 12.710 0.829 8.468 803 H GLN 54 H GLN 54 9.716 -4.794 12.617 804 HA GLN 54 HA GLN 54 11.998 -5.149 14.419 805 1HB GLN 54 1HB GLN 54 9.028 -5.735 14.663 806 2HB GLN 54 2HB GLN 54 10.172 -5.726 16.007 807 1HG GLN 54 1HG GLN 54 10.329 -3.442 16.039 808 2HG GLN 54 2HG GLN 54 10.151 -3.302 14.288 809 2HE2 GLN 54 2HE2 GLN 54 8.641 -1.592 15.952 810 1HE2 GLN 54 1HE2 GLN 54 7.004 -2.036 15.874 811 H LEU 55 H LEU 55 9.863 -7.207 12.508 812 HA LEU 55 HA LEU 55 10.538 -9.712 13.764 813 1HB LEU 55 1HB LEU 55 9.085 -8.668 11.439 814 2HB LEU 55 2HB LEU 55 9.820 -10.244 11.143 815 HG LEU 55 HG LEU 55 8.582 -10.130 13.773 816 1HD1 LEU 55 1HD1 LEU 55 7.149 -8.876 11.587 817 2HD1 LEU 55 2HD1 LEU 55 6.305 -10.326 12.131 818 3HD1 LEU 55 3HD1 LEU 55 6.674 -9.039 13.278 819 1HD2 LEU 55 1HD2 LEU 55 8.394 -11.832 11.285 820 2HD2 LEU 55 2HD2 LEU 55 9.099 -12.249 12.847 821 3HD2 LEU 55 3HD2 LEU 55 7.348 -12.124 12.675 822 H ARG 56 H ARG 56 11.879 -7.947 10.982 823 HA ARG 56 HA ARG 56 13.644 -9.949 10.020 824 1HB ARG 56 1HB ARG 56 14.743 -8.055 8.949 825 2HB ARG 56 2HB ARG 56 13.003 -7.773 8.959 826 1HG ARG 56 2HG ARG 56 13.408 -5.803 9.972 827 2HG ARG 56 1HG ARG 56 13.921 -6.717 11.392 828 1HD ARG 56 1HD ARG 56 16.233 -6.859 10.364 829 2HD ARG 56 2HD ARG 56 15.676 -5.718 9.125 830 HE ARG 56 HE ARG 56 14.913 -4.554 11.538 831 1HH1 ARG 56 1HH1 ARG 56 17.551 -4.734 9.469 832 2HH1 ARG 56 2HH1 ARG 56 18.688 -4.034 10.572 833 1HH2 ARG 56 1HH2 ARG 56 16.499 -4.061 13.261 834 2HH2 ARG 56 2HH2 ARG 56 18.092 -3.653 12.719 835 H GLU 57 H GLU 57 13.810 -7.968 12.883 836 HA GLU 57 HA GLU 57 16.646 -8.059 13.349 837 1HB GLU 57 2HB GLU 57 14.333 -7.966 15.317 838 2HB GLU 57 1HB GLU 57 15.978 -7.405 15.614 839 1HG GLU 57 1HG GLU 57 15.625 -5.853 13.586 840 2HG GLU 57 2HG GLU 57 13.909 -6.230 13.755 841 H LEU 58 H LEU 58 13.973 -10.230 14.246 842 HA LEU 58 HA LEU 58 15.300 -11.989 15.998 843 1HB LEU 58 1HB LEU 58 13.039 -12.086 14.061 844 2HB LEU 58 2HB LEU 58 13.643 -13.638 14.643 845 HG LEU 58 HG LEU 58 13.306 -11.590 16.742 846 1HD1 LEU 58 1HD1 LEU 58 11.338 -11.346 15.033 847 2HD1 LEU 58 2HD1 LEU 58 10.804 -12.892 15.691 848 3HD1 LEU 58 3HD1 LEU 58 10.963 -11.491 16.751 849 1HD2 LEU 58 1HD2 LEU 58 13.782 -14.210 16.773 850 2HD2 LEU 58 2HD2 LEU 58 12.821 -13.450 18.040 851 3HD2 LEU 58 3HD2 LEU 58 12.021 -14.295 16.715 852 H PHE 59 H PHE 59 15.707 -11.570 12.556 853 HA PHE 59 HA PHE 59 16.713 -14.053 11.714 854 1HB PHE 59 1HB PHE 59 16.309 -12.117 10.266 855 2HB PHE 59 2HB PHE 59 17.610 -11.228 11.057 856 HD1 PHE 59 HD1 PHE 59 19.979 -11.873 10.732 857 HD2 PHE 59 HD2 PHE 59 16.772 -13.907 8.677 858 HE1 PHE 59 HE1 PHE 59 21.628 -12.889 9.165 859 HE2 PHE 59 HE2 PHE 59 18.422 -14.923 7.108 860 HZ PHE 59 HZ PHE 59 20.850 -14.414 7.352 861 H ILE 60 H ILE 60 18.345 -11.491 13.559 862 HA ILE 60 HA ILE 60 20.969 -12.734 13.475 863 HB ILE 60 HB ILE 60 19.712 -10.674 15.319 864 1HG1 ILE 60 1HG1 ILE 60 21.636 -9.810 13.275 865 2HG1 ILE 60 2HG1 ILE 60 20.171 -10.514 12.593 866 1HG2 ILE 60 1HG2 ILE 60 21.853 -11.833 16.104 867 2HG2 ILE 60 2HG2 ILE 60 22.647 -11.092 14.715 868 3HG2 ILE 60 3HG2 ILE 60 21.933 -10.076 15.967 869 1HD1 ILE 60 1HD1 ILE 60 18.827 -9.003 14.085 870 2HD1 ILE 60 2HD1 ILE 60 20.332 -8.224 14.572 871 3HD1 ILE 60 3HD1 ILE 60 19.797 -8.137 12.894 872 H ALA 61 H ALA 61 18.317 -12.646 15.865 873 HA ALA 61 HA ALA 61 19.679 -14.165 17.895 874 1HB ALA 61 1HB ALA 61 17.531 -12.666 17.903 875 2HB ALA 61 3HB ALA 61 16.700 -14.151 17.441 876 3HB ALA 61 2HB ALA 61 17.584 -14.072 18.966 877 H ALA 62 H ALA 62 18.059 -15.057 14.940 878 HA ALA 62 HA ALA 62 17.946 -17.924 15.770 879 1HB ALA 62 1HB ALA 62 16.569 -18.091 13.680 880 2HB ALA 62 3HB ALA 62 15.923 -16.921 14.832 881 3HB ALA 62 2HB ALA 62 16.822 -16.365 13.419 882 H SER 63 H SER 63 18.851 -16.079 12.823 883 HA SER 63 HA SER 63 20.684 -18.237 11.998 884 1HB SER 63 1HB SER 63 19.062 -16.595 10.651 885 2HB SER 63 2HB SER 63 20.495 -15.571 10.651 886 HG SER 63 HG SER 63 19.993 -17.551 9.046 No H/Q in entry = 886 Start of MODEL 8 1 H LEU 8 H LEU 8 -12.630 26.044 -30.335 2 HA LEU 8 HA LEU 8 -11.800 23.431 -29.946 3 1HB LEU 8 1HB LEU 8 -10.283 25.442 -28.312 4 2HB LEU 8 2HB LEU 8 -10.609 23.854 -27.616 5 HG LEU 8 HG LEU 8 -9.709 22.942 -29.891 6 1HD1 LEU 8 1HD1 LEU 8 -9.334 25.795 -30.171 7 2HD1 LEU 8 2HD1 LEU 8 -7.777 24.971 -30.234 8 3HD1 LEU 8 3HD1 LEU 8 -9.058 24.521 -31.359 9 1HD2 LEU 8 1HD2 LEU 8 -8.254 24.009 -27.521 10 2HD2 LEU 8 2HD2 LEU 8 -8.322 22.362 -28.151 11 3HD2 LEU 8 3HD2 LEU 8 -7.269 23.555 -28.912 12 H GLU 9 H GLU 9 -13.779 22.714 -29.252 13 HA GLU 9 HA GLU 9 -14.846 23.654 -26.672 14 1HB GLU 9 1HB GLU 9 -15.524 25.110 -28.834 15 2HB GLU 9 2HB GLU 9 -16.750 23.847 -28.959 16 1HG GLU 9 1HG GLU 9 -17.234 24.279 -26.481 17 2HG GLU 9 2HG GLU 9 -16.262 25.742 -26.655 18 HA PRO 10 HA PRO 10 -15.795 19.275 -28.014 19 1HB PRO 10 1HB PRO 10 -14.556 18.021 -25.920 20 2HB PRO 10 2HB PRO 10 -13.718 18.437 -27.428 21 1HG PRO 10 2HG PRO 10 -13.678 19.824 -24.797 22 2HG PRO 10 1HG PRO 10 -12.368 19.567 -25.959 23 1HD PRO 10 1HD PRO 10 -13.715 21.929 -25.690 24 2HD PRO 10 2HD PRO 10 -12.931 21.404 -27.196 25 H ASP 11 H ASP 11 -15.556 20.374 -24.607 26 HA ASP 11 HA ASP 11 -17.148 20.357 -22.868 27 1HB ASP 11 1HB ASP 11 -18.493 20.892 -25.379 28 2HB ASP 11 2HB ASP 11 -19.563 20.005 -24.293 29 H ASN 12 H ASN 12 -19.014 18.319 -25.095 30 HA ASN 12 HA ASN 12 -18.210 15.843 -23.717 31 1HB ASN 12 1HB ASN 12 -19.792 16.866 -22.150 32 2HB ASN 12 2HB ASN 12 -20.971 17.081 -23.445 33 2HD2 ASN 12 2HD2 ASN 12 -18.955 14.163 -23.124 34 1HD2 ASN 12 1HD2 ASN 12 -20.236 13.118 -22.742 35 H VAL 13 H VAL 13 -17.908 16.357 -26.393 36 HA VAL 13 HA VAL 13 -20.270 15.373 -27.862 37 HB VAL 13 HB VAL 13 -17.614 16.617 -28.442 38 1HG1 VAL 13 1HG1 VAL 13 -19.051 14.749 -30.322 39 2HG1 VAL 13 2HG1 VAL 13 -18.152 16.130 -30.951 40 3HG1 VAL 13 3HG1 VAL 13 -17.321 14.888 -30.014 41 1HG2 VAL 13 1HG2 VAL 13 -20.499 17.076 -28.945 42 2HG2 VAL 13 2HG2 VAL 13 -19.224 18.229 -28.555 43 3HG2 VAL 13 3HG2 VAL 13 -19.395 17.628 -30.204 44 HA PRO 14 HA PRO 14 -17.366 11.689 -28.496 45 1HB PRO 14 1HB PRO 14 -14.959 11.608 -27.199 46 2HB PRO 14 2HB PRO 14 -15.180 12.369 -28.785 47 1HG PRO 14 2HG PRO 14 -14.803 13.610 -26.147 48 2HG PRO 14 1HG PRO 14 -14.449 14.242 -27.757 49 1HD PRO 14 1HD PRO 14 -16.667 14.885 -26.132 50 2HD PRO 14 2HD PRO 14 -16.401 15.347 -27.821 51 H MET 15 H MET 15 -16.067 12.488 -25.257 52 HA MET 15 HA MET 15 -18.106 11.129 -23.764 53 1HB MET 15 1HB MET 15 -16.521 9.432 -25.250 54 2HB MET 15 2HB MET 15 -15.697 9.428 -23.689 55 1HG MET 15 1HG MET 15 -17.419 8.367 -22.631 56 2HG MET 15 2HG MET 15 -18.649 9.214 -23.569 57 1HE MET 15 1HE MET 15 -19.156 6.419 -22.837 58 2HE MET 15 2HE MET 15 -20.188 7.204 -24.030 59 3HE MET 15 3HE MET 15 -19.568 5.574 -24.327 60 H ASP 16 H ASP 16 -17.754 12.872 -22.297 61 HA ASP 16 HA ASP 16 -15.424 12.531 -20.507 62 1HB ASP 16 1HB ASP 16 -15.385 14.322 -22.668 63 2HB ASP 16 2HB ASP 16 -15.720 15.328 -21.258 64 H MET 17 H MET 17 -17.866 11.965 -19.622 65 HA MET 17 HA MET 17 -19.637 14.005 -18.805 66 1HB MET 17 1HB MET 17 -20.269 12.343 -17.065 67 2HB MET 17 2HB MET 17 -20.038 11.580 -18.638 68 1HG MET 17 1HG MET 17 -17.580 11.229 -17.833 69 2HG MET 17 2HG MET 17 -18.245 11.500 -16.222 70 1HE MET 17 1HE MET 17 -19.903 10.160 -15.048 71 2HE MET 17 2HE MET 17 -21.122 10.366 -16.304 72 3HE MET 17 3HE MET 17 -20.786 8.758 -15.668 73 H SER 18 H SER 18 -16.623 12.877 -17.289 74 HA SER 18 HA SER 18 -16.896 14.474 -14.887 75 1HB SER 18 1HB SER 18 -14.362 13.447 -16.187 76 2HB SER 18 2HB SER 18 -14.667 13.694 -14.470 77 HG SER 18 HG SER 18 -14.974 11.552 -14.812 78 HA PRO 19 HA PRO 19 -15.283 18.270 -16.426 79 1HB PRO 19 1HB PRO 19 -14.036 19.282 -14.220 80 2HB PRO 19 2HB PRO 19 -15.798 19.154 -14.368 81 1HG PRO 19 1HG PRO 19 -13.943 17.573 -12.750 82 2HG PRO 19 2HG PRO 19 -15.676 17.827 -12.549 83 1HD PRO 19 1HD PRO 19 -14.360 15.546 -13.642 84 2HD PRO 19 2HD PRO 19 -16.107 15.835 -13.508 85 H LYS 20 H LYS 20 -13.353 15.805 -16.467 86 HA LYS 20 HA LYS 20 -11.171 15.427 -17.264 87 1HB LYS 20 1HB LYS 20 -11.996 17.412 -18.675 88 2HB LYS 20 2HB LYS 20 -11.024 18.426 -17.609 89 1HG LYS 20 1HG LYS 20 -9.835 16.001 -18.950 90 2HG LYS 20 2HG LYS 20 -9.914 17.554 -19.784 91 1HD LYS 20 1HD LYS 20 -8.941 18.184 -17.239 92 2HD LYS 20 2HD LYS 20 -8.105 16.692 -17.673 93 1HE LYS 20 1HE LYS 20 -7.816 17.945 -20.013 94 2HE LYS 20 2HE LYS 20 -7.971 19.381 -18.980 95 1HZ LYS 20 1HZ LYS 20 -6.168 17.092 -18.400 96 2HZ LYS 20 2HZ LYS 20 -5.661 18.537 -19.134 97 3HZ LYS 20 3HZ LYS 20 -6.262 18.554 -17.545 98 H ALA 21 H ALA 21 -10.820 18.638 -15.695 99 HA ALA 21 HA ALA 21 -8.308 18.325 -14.559 100 1HB ALA 21 1HB ALA 21 -9.494 20.401 -14.448 101 2HB ALA 21 3HB ALA 21 -10.828 19.667 -13.558 102 3HB ALA 21 2HB ALA 21 -9.265 19.893 -12.774 103 H LEU 22 H LEU 22 -11.399 17.357 -13.036 104 HA LEU 22 HA LEU 22 -10.044 16.120 -10.747 105 1HB LEU 22 1HB LEU 22 -12.872 16.320 -11.802 106 2HB LEU 22 2HB LEU 22 -12.490 15.348 -10.382 107 HG LEU 22 HG LEU 22 -11.383 17.403 -9.394 108 1HD1 LEU 22 1HD1 LEU 22 -12.469 18.501 -11.958 109 2HD1 LEU 22 2HD1 LEU 22 -12.480 19.538 -10.531 110 3HD1 LEU 22 3HD1 LEU 22 -10.959 18.878 -11.132 111 1HD2 LEU 22 1HD2 LEU 22 -14.337 17.365 -10.056 112 2HD2 LEU 22 2HD2 LEU 22 -13.553 16.819 -8.573 113 3HD2 LEU 22 3HD2 LEU 22 -13.633 18.541 -8.946 114 H GLN 23 H GLN 23 -11.741 15.046 -13.668 115 HA GLN 23 HA GLN 23 -11.789 12.264 -13.291 116 1HB GLN 23 1HB GLN 23 -12.704 13.691 -15.183 117 2HB GLN 23 2HB GLN 23 -11.076 13.709 -15.858 118 1HG GLN 23 1HG GLN 23 -11.167 11.142 -15.705 119 2HG GLN 23 2HG GLN 23 -12.902 11.338 -15.456 120 2HE2 GLN 23 2HE2 GLN 23 -13.119 10.194 -17.613 121 1HE2 GLN 23 1HE2 GLN 23 -12.941 11.100 -19.037 122 H GLN 24 H GLN 24 -9.152 14.156 -14.826 123 HA GLN 24 HA GLN 24 -7.360 11.930 -15.126 124 1HB GLN 24 1HB GLN 24 -7.197 14.013 -16.396 125 2HB GLN 24 2HB GLN 24 -6.923 14.926 -14.912 126 1HG GLN 24 2HG GLN 24 -4.781 14.527 -16.007 127 2HG GLN 24 1HG GLN 24 -4.853 13.584 -14.518 128 2HE2 GLN 24 2HE2 GLN 24 -3.436 11.883 -15.262 129 1HE2 GLN 24 1HE2 GLN 24 -3.880 10.815 -16.506 130 H LYS 25 H LYS 25 -7.363 14.596 -12.719 131 HA LYS 25 HA LYS 25 -5.223 13.737 -11.113 132 1HB LYS 25 1HB LYS 25 -7.563 15.471 -10.953 133 2HB LYS 25 2HB LYS 25 -7.161 14.777 -9.382 134 1HG LYS 25 2HG LYS 25 -5.748 16.599 -9.343 135 2HG LYS 25 1HG LYS 25 -4.687 15.442 -10.145 136 1HD LYS 25 1HD LYS 25 -6.097 16.434 -12.271 137 2HD LYS 25 2HD LYS 25 -5.999 17.854 -11.228 138 1HE LYS 25 1HE LYS 25 -3.482 17.299 -11.005 139 2HE LYS 25 2HE LYS 25 -3.729 16.244 -12.411 140 1HZ LYS 25 1HZ LYS 25 -4.528 19.104 -12.267 141 2HZ LYS 25 2HZ LYS 25 -3.146 18.524 -13.067 142 3HZ LYS 25 3HZ LYS 25 -4.690 18.082 -13.614 143 H ILE 26 H ILE 26 -8.637 12.707 -11.013 144 HA ILE 26 HA ILE 26 -8.291 10.989 -8.691 145 HB ILE 26 HB ILE 26 -10.395 11.192 -10.869 146 1HG1 ILE 26 1HG1 ILE 26 -10.471 12.200 -8.014 147 2HG1 ILE 26 2HG1 ILE 26 -9.945 13.202 -9.367 148 1HG2 ILE 26 1HG2 ILE 26 -10.057 9.347 -8.610 149 2HG2 ILE 26 2HG2 ILE 26 -11.604 10.192 -8.592 150 3HG2 ILE 26 3HG2 ILE 26 -11.139 9.236 -9.999 151 1HD1 ILE 26 1HD1 ILE 26 -12.225 12.358 -10.437 152 2HD1 ILE 26 2HD1 ILE 26 -12.672 12.136 -8.744 153 3HD1 ILE 26 3HD1 ILE 26 -12.200 13.732 -9.330 154 H HIS 27 H HIS 27 -8.818 10.278 -12.172 155 HA HIS 27 HA HIS 27 -8.375 7.461 -11.973 156 1HB HIS 27 1HB HIS 27 -9.356 9.030 -13.836 157 2HB HIS 27 2HB HIS 27 -7.684 9.111 -14.393 158 HD1 HIS 27 HD1 HIS 27 -9.394 7.756 -16.357 159 HD2 HIS 27 HD2 HIS 27 -7.825 5.660 -13.113 160 HE1 HIS 27 HE1 HIS 27 -9.435 5.306 -16.999 161 H GLU 28 H GLU 28 -6.154 10.182 -12.294 162 HA GLU 28 HA GLU 28 -3.838 8.552 -12.997 163 1HB GLU 28 1HB GLU 28 -4.084 10.909 -13.640 164 2HB GLU 28 2HB GLU 28 -4.166 11.380 -11.942 165 1HG GLU 28 1HG GLU 28 -1.903 11.762 -12.752 166 2HG GLU 28 2HG GLU 28 -1.880 10.414 -11.615 167 H LEU 29 H LEU 29 -4.909 10.241 -10.022 168 HA LEU 29 HA LEU 29 -2.747 9.364 -8.361 169 1HB LEU 29 1HB LEU 29 -5.557 10.373 -7.975 170 2HB LEU 29 2HB LEU 29 -4.614 9.851 -6.578 171 HG LEU 29 HG LEU 29 -3.588 11.851 -8.605 172 1HD1 LEU 29 1HD1 LEU 29 -5.245 12.203 -6.123 173 2HD1 LEU 29 2HD1 LEU 29 -4.060 13.433 -6.562 174 3HD1 LEU 29 3HD1 LEU 29 -5.373 13.037 -7.671 175 1HD2 LEU 29 1HD2 LEU 29 -2.286 10.372 -6.661 176 2HD2 LEU 29 2HD2 LEU 29 -1.706 11.894 -7.338 177 3HD2 LEU 29 3HD2 LEU 29 -2.622 11.892 -5.831 178 H GLU 30 H GLU 30 -5.988 7.984 -8.959 179 HA GLU 30 HA GLU 30 -5.956 5.881 -7.077 180 1HB GLU 30 1HB GLU 30 -7.725 6.765 -8.795 181 2HB GLU 30 2HB GLU 30 -7.017 5.567 -9.879 182 1HG GLU 30 1HG GLU 30 -7.340 4.173 -7.494 183 2HG GLU 30 2HG GLU 30 -8.790 5.172 -7.589 184 H GLY 31 H GLY 31 -4.776 5.841 -10.463 185 1HA GLY 31 2HA GLY 31 -3.343 4.327 -11.548 186 2HA GLY 31 1HA GLY 31 -3.792 3.138 -10.325 187 H LEU 32 H LEU 32 -2.487 6.230 -9.368 188 HA LEU 32 HA LEU 32 0.300 5.464 -9.273 189 1HB LEU 32 1HB LEU 32 -0.989 7.774 -9.201 190 2HB LEU 32 2HB LEU 32 -0.960 7.500 -7.458 191 HG LEU 32 HG LEU 32 1.583 6.987 -7.857 192 1HD1 LEU 32 1HD1 LEU 32 0.809 8.610 -10.298 193 2HD1 LEU 32 2HD1 LEU 32 2.468 8.434 -9.724 194 3HD1 LEU 32 3HD1 LEU 32 1.570 7.019 -10.277 195 1HD2 LEU 32 1HD2 LEU 32 0.069 9.358 -7.264 196 2HD2 LEU 32 2HD2 LEU 32 1.667 8.902 -6.673 197 3HD2 LEU 32 3HD2 LEU 32 1.510 9.814 -8.174 198 H MET 33 H MET 33 -2.426 5.075 -7.082 199 HA MET 33 HA MET 33 -1.061 4.608 -4.636 200 1HB MET 33 1HB MET 33 -3.667 3.941 -5.905 201 2HB MET 33 2HB MET 33 -3.224 2.982 -4.493 202 1HG MET 33 1HG MET 33 -3.411 4.755 -3.065 203 2HG MET 33 2HG MET 33 -2.772 5.900 -4.244 204 1HE MET 33 1HE MET 33 -5.592 4.459 -2.437 205 2HE MET 33 2HE MET 33 -7.057 4.689 -3.389 206 3HE MET 33 3HE MET 33 -5.892 3.434 -3.838 207 H MET 34 H MET 34 -2.335 2.095 -6.865 208 HA MET 34 HA MET 34 -1.084 -0.135 -5.690 209 1HB MET 34 1HB MET 34 -2.810 0.093 -7.598 210 2HB MET 34 2HB MET 34 -1.418 0.274 -8.667 211 1HG MET 34 1HG MET 34 -2.071 -2.072 -8.617 212 2HG MET 34 2HG MET 34 -0.521 -1.891 -7.795 213 1HE MET 34 1HE MET 34 -4.198 -1.643 -7.499 214 2HE MET 34 2HE MET 34 -4.669 -2.379 -5.970 215 3HE MET 34 3HE MET 34 -4.016 -0.736 -5.999 216 H GLN 35 H GLN 35 0.204 2.132 -8.118 217 HA GLN 35 HA GLN 35 2.612 0.845 -8.801 218 1HB GLN 35 1HB GLN 35 1.780 2.881 -9.855 219 2HB GLN 35 2HB GLN 35 1.945 3.772 -8.343 220 1HG GLN 35 2HG GLN 35 4.005 4.351 -9.065 221 2HG GLN 35 1HG GLN 35 4.476 2.684 -8.738 222 2HE2 GLN 35 2HE2 GLN 35 2.873 4.596 -11.353 223 1HE2 GLN 35 1HE2 GLN 35 3.589 3.727 -12.622 224 H HIS 36 H HIS 36 2.601 3.587 -6.520 225 HA HIS 36 HA HIS 36 5.056 3.033 -5.274 226 1HB HIS 36 1HB HIS 36 2.495 4.306 -4.272 227 2HB HIS 36 2HB HIS 36 4.035 4.426 -3.420 228 HD1 HIS 36 HD1 HIS 36 5.386 4.468 -6.526 229 HD2 HIS 36 HD2 HIS 36 2.850 7.213 -4.677 230 HE1 HIS 36 HE1 HIS 36 5.704 6.667 -7.740 231 H ALA 37 H ALA 37 1.790 1.950 -4.250 232 HA ALA 37 HA ALA 37 2.492 0.544 -1.894 233 1HB ALA 37 1HB ALA 37 0.450 -0.160 -4.040 234 2HB ALA 37 2HB ALA 37 0.399 -0.679 -2.356 235 3HB ALA 37 3HB ALA 37 0.199 1.026 -2.759 236 H GLN 38 H GLN 38 2.473 -0.549 -5.305 237 HA GLN 38 HA GLN 38 3.257 -3.255 -4.870 238 1HB GLN 38 1HB GLN 38 3.309 -1.238 -7.067 239 2HB GLN 38 2HB GLN 38 4.331 -2.659 -7.278 240 1HG GLN 38 1HG GLN 38 1.951 -3.726 -6.330 241 2HG GLN 38 2HG GLN 38 1.416 -2.434 -7.404 242 2HE2 GLN 38 2HE2 GLN 38 2.305 -5.673 -7.400 243 1HE2 GLN 38 1HE2 GLN 38 2.747 -5.828 -9.031 244 H ASN 39 H ASN 39 5.088 -0.245 -5.000 245 HA ASN 39 HA ASN 39 7.688 -1.654 -4.834 246 1HB ASN 39 1HB ASN 39 6.786 1.241 -4.928 247 2HB ASN 39 2HB ASN 39 8.480 0.768 -4.798 248 2HD2 ASN 39 2HD2 ASN 39 8.643 1.887 -7.001 249 1HD2 ASN 39 1HD2 ASN 39 8.249 0.984 -8.383 250 H LEU 40 H LEU 40 5.386 -1.422 -2.664 251 HA LEU 40 HA LEU 40 5.273 -1.317 -0.342 252 1HB LEU 40 1HB LEU 40 8.189 -1.838 -0.930 253 2HB LEU 40 2HB LEU 40 7.588 -1.764 0.727 254 HG LEU 40 HG LEU 40 5.770 -3.438 -0.122 255 1HD1 LEU 40 1HD1 LEU 40 7.920 -3.610 -2.242 256 2HD1 LEU 40 2HD1 LEU 40 6.820 -4.947 -1.906 257 3HD1 LEU 40 3HD1 LEU 40 6.184 -3.403 -2.470 258 1HD2 LEU 40 1HD2 LEU 40 7.885 -3.783 1.401 259 2HD2 LEU 40 2HD2 LEU 40 7.058 -5.193 0.740 260 3HD2 LEU 40 3HD2 LEU 40 8.539 -4.607 -0.014 261 H GLU 41 H GLU 41 5.967 1.209 -2.010 262 HA GLU 41 HA GLU 41 7.566 2.931 -0.332 263 1HB GLU 41 1HB GLU 41 5.303 3.484 -2.288 264 2HB GLU 41 2HB GLU 41 6.423 4.702 -1.680 265 1HG GLU 41 1HG GLU 41 7.899 2.432 -2.681 266 2HG GLU 41 2HG GLU 41 6.785 3.016 -3.919 267 H PHE 42 H PHE 42 4.057 2.533 -0.724 268 HA PHE 42 HA PHE 42 2.263 2.845 0.730 269 1HB PHE 42 1HB PHE 42 4.611 2.145 2.418 270 2HB PHE 42 2HB PHE 42 3.184 2.751 3.256 271 HD1 PHE 42 HD1 PHE 42 0.942 1.758 1.706 272 HD2 PHE 42 HD2 PHE 42 4.674 -0.191 2.660 273 HE1 PHE 42 HE1 PHE 42 -0.156 -0.467 1.459 274 HE2 PHE 42 HE2 PHE 42 3.574 -2.415 2.415 275 HZ PHE 42 HZ PHE 42 1.157 -2.547 1.821 276 H GLU 43 H GLU 43 4.980 4.721 2.188 277 HA GLU 43 HA GLU 43 3.495 6.753 3.395 278 1HB GLU 43 1HB GLU 43 5.913 6.560 3.561 279 2HB GLU 43 2HB GLU 43 6.095 6.851 1.830 280 1HG GLU 43 1HG GLU 43 4.940 9.100 2.240 281 2HG GLU 43 2HG GLU 43 5.199 8.801 3.960 282 H GLU 44 H GLU 44 4.847 6.944 0.100 283 HA GLU 44 HA GLU 44 3.067 9.157 -0.617 284 1HB GLU 44 2HB GLU 44 4.310 9.055 -2.719 285 2HB GLU 44 1HB GLU 44 5.439 8.892 -1.376 286 1HG GLU 44 1HG GLU 44 5.396 6.427 -1.652 287 2HG GLU 44 2HG GLU 44 4.298 6.610 -3.018 288 H ALA 45 H ALA 45 2.982 5.675 -0.803 289 HA ALA 45 HA ALA 45 1.109 5.556 -3.050 290 1HB ALA 45 1HB ALA 45 1.447 3.306 -1.140 291 2HB ALA 45 3HB ALA 45 2.910 3.877 -1.942 292 3HB ALA 45 2HB ALA 45 1.544 3.309 -2.899 293 H ALA 46 H ALA 46 0.831 4.867 0.457 294 HA ALA 46 HA ALA 46 -2.060 4.538 0.240 295 1HB ALA 46 1HB ALA 46 -0.270 3.457 1.807 296 2HB ALA 46 3HB ALA 46 -0.524 4.896 2.796 297 3HB ALA 46 2HB ALA 46 -1.873 3.811 2.451 298 H GLN 47 H GLN 47 0.054 7.254 0.851 299 HA GLN 47 HA GLN 47 -1.822 8.841 2.370 300 1HB GLN 47 2HB GLN 47 -0.309 10.672 1.804 301 2HB GLN 47 1HB GLN 47 0.643 9.236 2.172 302 1HG GLN 47 1HG GLN 47 1.145 8.844 -0.104 303 2HG GLN 47 2HG GLN 47 -0.150 9.899 -0.665 304 2HE2 GLN 47 2HE2 GLN 47 1.077 11.484 -1.783 305 1HE2 GLN 47 1HE2 GLN 47 2.260 12.446 -1.039 306 H ILE 48 H ILE 48 -1.439 8.116 -1.044 307 HA ILE 48 HA ILE 48 -2.882 10.265 -2.214 308 HB ILE 48 HB ILE 48 -2.744 7.305 -2.891 309 1HG1 ILE 48 2HG1 ILE 48 -0.553 8.432 -2.772 310 2HG1 ILE 48 1HG1 ILE 48 -0.959 8.037 -4.443 311 1HG2 ILE 48 1HG2 ILE 48 -3.751 9.702 -4.427 312 2HG2 ILE 48 2HG2 ILE 48 -3.176 8.254 -5.252 313 3HG2 ILE 48 3HG2 ILE 48 -4.557 8.156 -4.160 314 1HD1 ILE 48 1HD1 ILE 48 -2.078 10.583 -3.961 315 2HD1 ILE 48 2HD1 ILE 48 -0.458 10.629 -3.264 316 3HD1 ILE 48 3HD1 ILE 48 -0.677 10.208 -4.963 317 H ARG 49 H ARG 49 -3.951 7.459 -0.397 318 HA ARG 49 HA ARG 49 -6.686 7.320 -1.069 319 1HB ARG 49 1HB ARG 49 -5.634 5.690 0.346 320 2HB ARG 49 2HB ARG 49 -5.119 6.920 1.496 321 1HG ARG 49 1HG ARG 49 -7.961 7.104 1.229 322 2HG ARG 49 2HG ARG 49 -7.546 5.411 1.495 323 1HD ARG 49 1HD ARG 49 -7.875 6.645 3.647 324 2HD ARG 49 2HD ARG 49 -6.215 6.039 3.484 325 HE ARG 49 HE ARG 49 -5.549 8.322 2.750 326 1HH1 ARG 49 1HH1 ARG 49 -8.866 8.440 2.854 327 2HH1 ARG 49 2HH1 ARG 49 -8.978 9.849 3.857 328 1HH2 ARG 49 1HH2 ARG 49 -5.594 9.908 4.609 329 2HH2 ARG 49 2HH2 ARG 49 -7.126 10.679 4.850 330 H ASP 50 H ASP 50 -4.949 9.649 0.937 331 HA ASP 50 HA ASP 50 -7.336 10.885 2.064 332 1HB ASP 50 1HB ASP 50 -4.917 10.827 2.944 333 2HB ASP 50 2HB ASP 50 -4.574 12.080 1.750 334 H GLN 51 H GLN 51 -5.220 11.486 -0.722 335 HA GLN 51 HA GLN 51 -6.471 14.021 -1.438 336 1HB GLN 51 2HB GLN 51 -4.784 12.072 -3.045 337 2HB GLN 51 1HB GLN 51 -5.046 13.776 -3.422 338 1HG GLN 51 1HG GLN 51 -3.858 14.484 -1.466 339 2HG GLN 51 2HG GLN 51 -3.827 12.845 -0.812 340 2HE2 GLN 51 2HE2 GLN 51 -3.162 13.748 -4.211 341 1HE2 GLN 51 1HE2 GLN 51 -1.544 13.234 -4.198 342 H LEU 52 H LEU 52 -6.732 10.652 -2.596 343 HA LEU 52 HA LEU 52 -8.558 11.122 -4.738 344 1HB LEU 52 1HB LEU 52 -7.303 8.964 -3.363 345 2HB LEU 52 2HB LEU 52 -9.028 8.604 -3.432 346 HG LEU 52 HG LEU 52 -7.862 7.745 -5.432 347 1HD1 LEU 52 1HD1 LEU 52 -10.177 9.309 -5.355 348 2HD1 LEU 52 2HD1 LEU 52 -9.276 9.936 -6.734 349 3HD1 LEU 52 3HD1 LEU 52 -9.696 8.225 -6.659 350 1HD2 LEU 52 1HD2 LEU 52 -6.160 9.730 -5.281 351 2HD2 LEU 52 2HD2 LEU 52 -6.607 9.113 -6.871 352 3HD2 LEU 52 3HD2 LEU 52 -7.345 10.594 -6.260 353 H HIS 53 H HIS 53 -9.165 10.240 -1.321 354 HA HIS 53 HA HIS 53 -11.986 10.079 -1.413 355 1HB HIS 53 1HB HIS 53 -9.999 9.839 0.445 356 2HB HIS 53 2HB HIS 53 -10.750 11.349 0.961 357 HD1 HIS 53 HD1 HIS 53 -12.615 10.998 2.563 358 HD2 HIS 53 HD2 HIS 53 -12.253 7.788 -0.073 359 HE1 HIS 53 HE1 HIS 53 -14.403 9.328 3.218 360 H GLN 54 H GLN 54 -9.885 12.925 -0.944 361 HA GLN 54 HA GLN 54 -12.050 14.796 -0.518 362 1HB GLN 54 1HB GLN 54 -9.115 14.792 -0.979 363 2HB GLN 54 2HB GLN 54 -9.954 16.291 -1.381 364 1HG GLN 54 1HG GLN 54 -10.640 14.981 1.212 365 2HG GLN 54 2HG GLN 54 -9.082 15.803 1.098 366 2HE2 GLN 54 2HE2 GLN 54 -9.351 17.852 2.005 367 1HE2 GLN 54 1HE2 GLN 54 -10.654 18.891 1.684 368 H LEU 55 H LEU 55 -9.984 14.103 -3.367 369 HA LEU 55 HA LEU 55 -11.159 15.906 -5.193 370 1HB LEU 55 1HB LEU 55 -9.936 13.149 -5.489 371 2HB LEU 55 2HB LEU 55 -10.332 14.172 -6.872 372 HG LEU 55 HG LEU 55 -8.781 15.480 -4.709 373 1HD1 LEU 55 1HD1 LEU 55 -7.941 12.971 -5.312 374 2HD1 LEU 55 2HD1 LEU 55 -7.140 13.880 -6.593 375 3HD1 LEU 55 3HD1 LEU 55 -6.839 14.286 -4.904 376 1HD2 LEU 55 1HD2 LEU 55 -8.625 15.373 -7.738 377 2HD2 LEU 55 2HD2 LEU 55 -9.330 16.665 -6.767 378 3HD2 LEU 55 3HD2 LEU 55 -7.590 16.378 -6.724 379 H ARG 56 H ARG 56 -12.441 12.954 -3.858 380 HA ARG 56 HA ARG 56 -14.322 12.267 -5.910 381 1HB ARG 56 1HB ARG 56 -13.654 10.785 -4.077 382 2HB ARG 56 2HB ARG 56 -14.343 11.900 -2.896 383 1HG ARG 56 1HG ARG 56 -16.382 11.392 -4.789 384 2HG ARG 56 2HG ARG 56 -15.667 9.827 -4.399 385 1HD ARG 56 1HD ARG 56 -15.945 10.323 -1.973 386 2HD ARG 56 2HD ARG 56 -16.739 11.852 -2.400 387 HE ARG 56 HE ARG 56 -18.226 10.163 -3.861 388 1HH1 ARG 56 1HH1 ARG 56 -16.799 8.197 -1.791 389 2HH1 ARG 56 2HH1 ARG 56 -18.150 7.892 -0.750 390 1HH2 ARG 56 1HH2 ARG 56 -20.063 10.482 -2.036 391 2HH2 ARG 56 2HH2 ARG 56 -19.997 9.187 -0.888 392 H GLU 57 H GLU 57 -14.787 14.131 -2.877 393 HA GLU 57 HA GLU 57 -17.502 14.859 -3.339 394 1HB GLU 57 1HB GLU 57 -16.292 15.042 -1.196 395 2HB GLU 57 2HB GLU 57 -15.264 16.301 -1.879 396 1HG GLU 57 2HG GLU 57 -16.856 17.627 -0.854 397 2HG GLU 57 1HG GLU 57 -17.618 17.422 -2.431 398 H LEU 58 H LEU 58 -14.467 16.332 -4.429 399 HA LEU 58 HA LEU 58 -15.614 18.785 -5.425 400 1HB LEU 58 1HB LEU 58 -13.100 17.194 -5.990 401 2HB LEU 58 2HB LEU 58 -13.407 18.771 -6.719 402 HG LEU 58 HG LEU 58 -13.610 18.387 -3.738 403 1HD1 LEU 58 1HD1 LEU 58 -11.133 18.893 -5.404 404 2HD1 LEU 58 2HD1 LEU 58 -11.231 19.292 -3.689 405 3HD1 LEU 58 3HD1 LEU 58 -11.389 17.617 -4.215 406 1HD2 LEU 58 1HD2 LEU 58 -13.139 20.713 -5.621 407 2HD2 LEU 58 2HD2 LEU 58 -14.513 20.460 -4.544 408 3HD2 LEU 58 3HD2 LEU 58 -12.926 20.840 -3.875 409 H PHE 59 H PHE 59 -15.449 15.529 -6.677 410 HA PHE 59 HA PHE 59 -15.656 15.988 -9.470 411 1HB PHE 59 1HB PHE 59 -15.285 13.817 -8.295 412 2HB PHE 59 2HB PHE 59 -16.965 13.846 -7.760 413 HD1 PHE 59 HD1 PHE 59 -18.827 13.680 -9.416 414 HD2 PHE 59 HD2 PHE 59 -14.689 13.272 -10.578 415 HE1 PHE 59 HE1 PHE 59 -19.536 12.676 -11.585 416 HE2 PHE 59 HE2 PHE 59 -15.397 12.267 -12.747 417 HZ PHE 59 HZ PHE 59 -17.821 11.969 -13.250 418 H ILE 60 H ILE 60 -18.264 15.642 -7.035 419 HA ILE 60 HA ILE 60 -20.396 16.168 -8.930 420 HB ILE 60 HB ILE 60 -20.292 16.367 -5.902 421 1HG1 ILE 60 2HG1 ILE 60 -21.520 13.969 -6.799 422 2HG1 ILE 60 1HG1 ILE 60 -20.004 14.123 -7.687 423 1HG2 ILE 60 1HG2 ILE 60 -22.318 17.143 -7.582 424 2HG2 ILE 60 2HG2 ILE 60 -22.740 15.458 -7.276 425 3HG2 ILE 60 3HG2 ILE 60 -22.557 16.581 -5.927 426 1HD1 ILE 60 1HD1 ILE 60 -19.315 14.875 -5.101 427 2HD1 ILE 60 2HD1 ILE 60 -20.441 13.540 -4.855 428 3HD1 ILE 60 3HD1 ILE 60 -18.995 13.305 -5.837 429 H ALA 61 H ALA 61 -18.777 18.144 -6.423 430 HA ALA 61 HA ALA 61 -20.270 20.519 -6.658 431 1HB ALA 61 1HB ALA 61 -17.993 19.606 -5.372 432 2HB ALA 61 3HB ALA 61 -18.638 21.243 -5.250 433 3HB ALA 61 2HB ALA 61 -17.364 20.882 -6.415 434 H ALA 62 H ALA 62 -17.864 19.168 -8.838 435 HA ALA 62 HA ALA 62 -17.721 21.668 -10.428 436 1HB ALA 62 1HB ALA 62 -16.088 19.389 -9.880 437 2HB ALA 62 3HB ALA 62 -15.670 20.816 -10.827 438 3HB ALA 62 2HB ALA 62 -16.399 19.418 -11.615 439 H SER 63 H SER 63 -18.333 18.214 -11.198 440 HA SER 63 HA SER 63 -20.280 19.144 -13.286 441 1HB SER 63 1HB SER 63 -19.554 17.122 -14.518 442 2HB SER 63 2HB SER 63 -18.181 18.162 -14.145 443 HG SER 63 HG SER 63 -18.407 15.655 -13.562 444 H LEU 8 H LEU 8 12.579 -36.736 15.917 445 HA LEU 8 HA LEU 8 11.698 -35.601 13.549 446 1HB LEU 8 1HB LEU 8 10.249 -34.609 15.984 447 2HB LEU 8 2HB LEU 8 10.551 -33.484 14.658 448 HG LEU 8 HG LEU 8 9.600 -35.391 13.148 449 1HD1 LEU 8 1HD1 LEU 8 9.281 -36.484 15.807 450 2HD1 LEU 8 2HD1 LEU 8 7.705 -36.292 15.039 451 3HD1 LEU 8 3HD1 LEU 8 8.960 -37.249 14.250 452 1HD2 LEU 8 1HD2 LEU 8 8.203 -33.421 14.891 453 2HD2 LEU 8 2HD2 LEU 8 8.225 -33.548 13.132 454 3HD2 LEU 8 3HD2 LEU 8 7.187 -34.614 14.080 455 H GLU 9 H GLU 9 13.674 -34.747 13.015 456 HA GLU 9 HA GLU 9 14.796 -32.556 14.632 457 1HB GLU 9 1HB GLU 9 15.474 -35.053 15.385 458 2HB GLU 9 2HB GLU 9 16.670 -34.819 14.110 459 1HG GLU 9 1HG GLU 9 17.200 -32.574 15.227 460 2HG GLU 9 2HG GLU 9 16.259 -33.156 16.600 461 HA PRO 10 HA PRO 10 15.631 -32.583 10.031 462 1HB PRO 10 1HB PRO 10 14.397 -30.207 9.466 463 2HB PRO 10 2HB PRO 10 13.546 -31.764 9.448 464 1HG PRO 10 2HG PRO 10 13.575 -29.646 11.536 465 2HG PRO 10 1HG PRO 10 12.242 -30.674 10.988 466 1HD PRO 10 1HD PRO 10 13.644 -31.110 13.292 467 2HD PRO 10 2HD PRO 10 12.827 -32.394 12.375 468 H ASP 11 H ASP 11 15.465 -29.638 12.072 469 HA ASP 11 HA ASP 11 17.084 -27.982 12.518 470 1HB ASP 11 1HB ASP 11 18.402 -30.550 12.272 471 2HB ASP 11 2HB ASP 11 19.468 -29.262 11.710 472 H ASN 12 H ASN 12 18.871 -29.539 9.878 473 HA ASN 12 HA ASN 12 18.037 -27.498 7.926 474 1HB ASN 12 1HB ASN 12 19.662 -26.306 9.319 475 2HB ASN 12 2HB ASN 12 20.825 -27.617 9.121 476 2HD2 ASN 12 2HD2 ASN 12 18.753 -26.451 6.471 477 1HD2 ASN 12 1HD2 ASN 12 20.017 -25.793 5.549 478 H VAL 13 H VAL 13 17.705 -30.207 7.653 479 HA VAL 13 HA VAL 13 20.024 -31.346 6.230 480 HB VAL 13 HB VAL 13 17.387 -32.240 7.317 481 1HG1 VAL 13 1HG1 VAL 13 18.756 -33.511 4.951 482 2HG1 VAL 13 2HG1 VAL 13 17.879 -34.505 6.114 483 3HG1 VAL 13 3HG1 VAL 13 17.033 -33.244 5.216 484 1HG2 VAL 13 1HG2 VAL 13 20.274 -32.879 7.538 485 2HG2 VAL 13 2HG2 VAL 13 19.031 -32.827 8.789 486 3HG2 VAL 13 3HG2 VAL 13 19.162 -34.233 7.732 487 HA PRO 14 HA PRO 14 17.032 -30.865 2.592 488 1HB PRO 14 1HB PRO 14 14.644 -29.583 2.948 489 2HB PRO 14 2HB PRO 14 14.857 -31.323 3.214 490 1HG PRO 14 2HG PRO 14 14.545 -29.152 5.173 491 2HG PRO 14 1HG PRO 14 14.182 -30.874 5.321 492 1HD PRO 14 1HD PRO 14 16.437 -29.521 6.352 493 2HD PRO 14 2HD PRO 14 16.156 -31.270 6.311 494 H MET 15 H MET 15 15.798 -27.986 4.325 495 HA MET 15 HA MET 15 17.829 -26.181 3.404 496 1HB MET 15 1HB MET 15 16.187 -27.099 1.390 497 2HB MET 15 2HB MET 15 15.385 -25.599 1.857 498 1HG MET 15 1HG MET 15 17.100 -24.293 1.103 499 2HG MET 15 2HG MET 15 18.335 -25.444 1.614 500 1HE MET 15 1HE MET 15 18.790 -23.941 -0.863 501 2HE MET 15 2HE MET 15 19.822 -25.316 -0.481 502 3HE MET 15 3HE MET 15 19.163 -25.127 -2.111 503 H ASP 16 H ASP 16 17.536 -25.277 5.504 504 HA ASP 16 HA ASP 16 15.227 -23.446 5.752 505 1HB ASP 16 1HB ASP 16 15.195 -26.032 6.844 506 2HB ASP 16 2HB ASP 16 15.572 -24.976 8.206 507 H MET 17 H MET 17 17.669 -22.455 5.407 508 HA MET 17 HA MET 17 19.495 -22.275 7.550 509 1HB MET 17 1HB MET 17 20.118 -20.135 6.446 510 2HB MET 17 2HB MET 17 19.847 -21.419 5.267 511 1HG MET 17 1HG MET 17 17.393 -20.526 5.227 512 2HG MET 17 2HG MET 17 18.090 -19.068 5.934 513 1HE MET 17 1HE MET 17 19.735 -17.570 4.947 514 2HE MET 17 2HE MET 17 20.938 -18.843 4.753 515 3HE MET 17 3HE MET 17 20.579 -17.767 3.404 516 H SER 18 H SER 18 16.481 -20.475 6.984 517 HA SER 18 HA SER 18 16.822 -18.639 9.198 518 1HB SER 18 1HB SER 18 14.249 -19.567 7.902 519 2HB SER 18 2HB SER 18 14.584 -17.998 8.628 520 HG SER 18 HG SER 18 14.841 -17.705 6.473 521 HA PRO 19 HA PRO 19 15.269 -21.197 12.427 522 1HB PRO 19 1HB PRO 19 14.077 -19.368 14.064 523 2HB PRO 19 2HB PRO 19 15.834 -19.486 13.855 524 1HG PRO 19 1HG PRO 19 13.968 -17.465 12.855 525 2HG PRO 19 2HG PRO 19 15.711 -17.361 13.113 526 1HD PRO 19 1HD PRO 19 14.329 -17.737 10.647 527 2HD PRO 19 2HD PRO 19 16.084 -17.706 10.919 528 H LYS 20 H LYS 20 13.287 -20.508 10.105 529 HA LYS 20 HA LYS 20 11.085 -21.145 9.565 530 1HB LYS 20 1HB LYS 20 11.932 -23.076 11.038 531 2HB LYS 20 2HB LYS 20 10.997 -22.341 12.341 532 1HG LYS 20 1HG LYS 20 9.736 -22.913 9.663 533 2HG LYS 20 2HG LYS 20 9.837 -24.161 10.906 534 1HD LYS 20 1HD LYS 20 8.917 -21.901 12.270 535 2HD LYS 20 2HD LYS 20 8.042 -21.876 10.738 536 1HE LYS 20 1HE LYS 20 7.745 -24.478 11.266 537 2HE LYS 20 2HE LYS 20 7.946 -23.905 12.934 538 1HZ LYS 20 1HZ LYS 20 6.103 -22.675 10.954 539 2HZ LYS 20 2HZ LYS 20 5.616 -23.790 12.141 540 3HZ LYS 20 3HZ LYS 20 6.241 -22.278 12.598 541 H ALA 21 H ALA 21 10.825 -20.568 13.101 542 HA ALA 21 HA ALA 21 8.325 -19.369 13.192 543 1HB ALA 21 1HB ALA 21 10.889 -18.819 14.703 544 2HB ALA 21 3HB ALA 21 9.341 -18.123 15.184 545 3HB ALA 21 2HB ALA 21 9.558 -19.873 15.180 546 H LEU 22 H LEU 22 11.416 -17.656 12.627 547 HA LEU 22 HA LEU 22 10.070 -15.097 12.139 548 1HB LEU 22 1HB LEU 22 12.885 -16.188 11.956 549 2HB LEU 22 2HB LEU 22 12.504 -14.544 11.444 550 HG LEU 22 HG LEU 22 11.456 -14.184 13.725 551 1HD1 LEU 22 1HD1 LEU 22 12.528 -16.963 14.008 552 2HD1 LEU 22 2HD1 LEU 22 12.583 -15.898 15.412 553 3HD1 LEU 22 3HD1 LEU 22 11.038 -16.270 14.645 554 1HD2 LEU 22 1HD2 LEU 22 14.399 -14.829 13.422 555 2HD2 LEU 22 2HD2 LEU 22 13.625 -13.246 13.350 556 3HD2 LEU 22 3HD2 LEU 22 13.737 -14.103 14.887 557 H GLN 23 H GLN 23 11.701 -17.596 10.226 558 HA GLN 23 HA GLN 23 11.694 -16.432 7.671 559 1HB GLN 23 1HB GLN 23 12.611 -18.663 8.469 560 2HB GLN 23 2HB GLN 23 10.974 -19.302 8.330 561 1HG GLN 23 1HG GLN 23 11.013 -18.414 5.916 562 2HG GLN 23 2HG GLN 23 12.755 -18.245 6.132 563 2HE2 GLN 23 2HE2 GLN 23 12.914 -19.981 4.407 564 1HE2 GLN 23 1HE2 GLN 23 12.736 -21.605 4.868 565 H GLN 24 H GLN 24 9.076 -18.428 9.103 566 HA GLN 24 HA GLN 24 7.232 -18.058 6.931 567 1HB GLN 24 1HB GLN 24 7.095 -19.875 8.564 568 2HB GLN 24 2HB GLN 24 6.863 -18.715 9.872 569 1HG GLN 24 2HG GLN 24 4.696 -19.632 9.227 570 2HG GLN 24 1HG GLN 24 4.771 -17.935 8.753 571 2HE2 GLN 24 2HE2 GLN 24 3.306 -18.145 6.944 572 1HE2 GLN 24 1HE2 GLN 24 3.710 -19.029 5.553 573 H LYS 25 H LYS 25 7.327 -16.525 10.178 574 HA LYS 25 HA LYS 25 5.193 -14.722 9.872 575 1HB LYS 25 1HB LYS 25 7.572 -15.089 11.521 576 2HB LYS 25 2HB LYS 25 7.179 -13.381 11.319 577 1HG LYS 25 1HG LYS 25 5.806 -13.858 13.110 578 2HG LYS 25 2HG LYS 25 4.708 -14.284 11.796 579 1HD LYS 25 1HD LYS 25 6.107 -16.617 12.098 580 2HD LYS 25 2HD LYS 25 6.055 -16.028 13.760 581 1HE LYS 25 1HE LYS 25 3.531 -15.633 13.355 582 2HE LYS 25 2HE LYS 25 3.735 -16.677 11.933 583 1HZ LYS 25 1HZ LYS 25 4.595 -17.369 14.694 584 2HZ LYS 25 2HZ LYS 25 3.191 -17.958 13.941 585 3HZ LYS 25 3HZ LYS 25 4.717 -18.367 13.324 586 H ILE 26 H ILE 26 8.585 -14.356 8.831 587 HA ILE 26 HA ILE 26 8.237 -11.634 7.865 588 HB ILE 26 HB ILE 26 10.313 -13.794 7.378 589 1HG1 ILE 26 1HG1 ILE 26 10.452 -11.352 9.166 590 2HG1 ILE 26 2HG1 ILE 26 9.929 -12.933 9.748 591 1HG2 ILE 26 1HG2 ILE 26 9.968 -11.095 6.273 592 2HG2 ILE 26 2HG2 ILE 26 11.533 -11.334 7.049 593 3HG2 ILE 26 3HG2 ILE 26 11.027 -12.400 5.739 594 1HD1 ILE 26 1HD1 ILE 26 12.174 -13.729 8.574 595 2HD1 ILE 26 2HD1 ILE 26 12.640 -12.050 8.840 596 3HD1 ILE 26 3HD1 ILE 26 12.194 -13.069 10.209 597 H HIS 27 H HIS 27 8.696 -14.765 6.167 598 HA HIS 27 HA HIS 27 8.197 -13.756 3.540 599 1HB HIS 27 1HB HIS 27 9.184 -16.003 4.479 600 2HB HIS 27 2HB HIS 27 7.506 -16.545 4.438 601 HD1 HIS 27 HD1 HIS 27 9.159 -18.047 2.531 602 HD2 HIS 27 HD2 HIS 27 7.591 -14.323 1.501 603 HE1 HIS 27 HE1 HIS 27 9.139 -17.953 -0.001 604 H GLU 28 H GLU 28 6.031 -14.831 6.106 605 HA GLU 28 HA GLU 28 3.669 -15.016 4.401 606 1HB GLU 28 1HB GLU 28 3.956 -16.315 6.465 607 2HB GLU 28 2HB GLU 28 4.073 -14.825 7.404 608 1HG GLU 28 2HG GLU 28 1.807 -15.693 7.592 609 2HG GLU 28 1HG GLU 28 1.773 -14.215 6.630 610 H LEU 29 H LEU 29 4.821 -12.665 6.850 611 HA LEU 29 HA LEU 29 2.666 -10.804 6.543 612 1HB LEU 29 1HB LEU 29 5.502 -10.748 7.551 613 2HB LEU 29 2HB LEU 29 4.568 -9.253 7.477 614 HG LEU 29 HG LEU 29 3.556 -11.763 8.831 615 1HD1 LEU 29 1HD1 LEU 29 5.256 -9.500 9.845 616 2HD1 LEU 29 2HD1 LEU 29 4.093 -10.271 10.925 617 3HD1 LEU 29 3HD1 LEU 29 5.380 -11.225 10.190 618 1HD2 LEU 29 1HD2 LEU 29 2.252 -9.464 8.011 619 2HD2 LEU 29 2HD2 LEU 29 1.694 -10.547 9.287 620 3HD2 LEU 29 3HD2 LEU 29 2.633 -9.112 9.697 621 H GLU 30 H GLU 30 5.865 -11.006 4.968 622 HA GLU 30 HA GLU 30 5.816 -8.595 3.500 623 1HB GLU 30 1HB GLU 30 7.579 -10.508 3.806 624 2HB GLU 30 2HB GLU 30 6.830 -11.195 2.364 625 1HG GLU 30 1HG GLU 30 7.157 -8.512 1.709 626 2HG GLU 30 2HG GLU 30 8.627 -8.903 2.604 627 H GLY 31 H GLY 31 4.585 -11.816 2.515 628 1HA GLY 31 2HA GLY 31 3.104 -12.406 0.788 629 2HA GLY 31 1HA GLY 31 3.546 -10.895 -0.009 630 H LEU 32 H LEU 32 2.322 -10.860 3.260 631 HA LEU 32 HA LEU 32 -0.479 -10.527 2.624 632 1HB LEU 32 1HB LEU 32 0.861 -11.134 4.823 633 2HB LEU 32 2HB LEU 32 0.851 -9.386 5.063 634 HG LEU 32 HG LEU 32 -1.708 -9.600 4.521 635 1HD1 LEU 32 1HD1 LEU 32 -0.934 -12.412 5.350 636 2HD1 LEU 32 2HD1 LEU 32 -2.588 -11.800 5.390 637 3HD1 LEU 32 3HD1 LEU 32 -1.731 -11.925 3.853 638 1HD2 LEU 32 1HD2 LEU 32 -0.134 -9.729 6.924 639 2HD2 LEU 32 2HD2 LEU 32 -1.733 -9.020 6.697 640 3HD2 LEU 32 3HD2 LEU 32 -1.577 -10.721 7.133 641 H MET 33 H MET 33 2.270 -8.338 2.818 642 HA MET 33 HA MET 33 0.930 -5.851 3.110 643 1HB MET 33 1HB MET 33 3.504 -6.893 2.041 644 2HB MET 33 2HB MET 33 3.060 -5.259 1.542 645 1HG MET 33 1HG MET 33 3.306 -4.407 3.647 646 2HG MET 33 2HG MET 33 2.672 -5.861 4.417 647 1HE MET 33 1HE MET 33 5.494 -3.736 3.504 648 2HE MET 33 2HE MET 33 6.944 -4.732 3.393 649 3HE MET 33 3HE MET 33 5.736 -4.776 2.101 650 H MET 34 H MET 34 2.118 -7.269 0.029 651 HA MET 34 HA MET 34 0.839 -5.490 -1.737 652 1HB MET 34 1HB MET 34 2.540 -7.396 -2.113 653 2HB MET 34 2HB MET 34 1.138 -8.461 -2.209 654 1HG MET 34 1HG MET 34 1.737 -7.746 -4.459 655 2HG MET 34 2HG MET 34 0.204 -6.999 -4.010 656 1HE MET 34 1HE MET 34 3.889 -6.814 -3.788 657 2HE MET 34 2HE MET 34 4.365 -5.138 -4.060 658 3HE MET 34 3HE MET 34 3.748 -5.642 -2.480 659 H GLN 35 H GLN 35 -0.437 -8.459 -0.236 660 HA GLN 35 HA GLN 35 -2.882 -8.720 -1.604 661 1HB GLN 35 1HB GLN 35 -2.023 -10.324 0.019 662 2HB GLN 35 2HB GLN 35 -2.146 -9.134 1.313 663 1HG GLN 35 2HG GLN 35 -4.204 -9.975 1.711 664 2HG GLN 35 1HG GLN 35 -4.706 -9.177 0.221 665 2HE2 GLN 35 2HE2 GLN 35 -3.100 -12.245 1.256 666 1HE2 GLN 35 1HE2 GLN 35 -3.853 -13.205 0.074 667 H HIS 36 H HIS 36 -2.779 -7.329 1.677 668 HA HIS 36 HA HIS 36 -5.227 -5.958 1.568 669 1HB HIS 36 1HB HIS 36 -2.625 -5.385 3.012 670 2HB HIS 36 2HB HIS 36 -4.150 -4.593 3.410 671 HD1 HIS 36 HD1 HIS 36 -5.544 -7.569 2.588 672 HD2 HIS 36 HD2 HIS 36 -2.922 -6.611 5.686 673 HE1 HIS 36 HE1 HIS 36 -5.832 -9.363 4.351 674 H ALA 37 H ALA 37 -1.971 -4.687 0.746 675 HA ALA 37 HA ALA 37 -2.670 -2.021 0.098 676 1HB ALA 37 1HB ALA 37 -0.381 -3.005 0.252 677 2HB ALA 37 3HB ALA 37 -0.676 -3.889 -1.244 678 3HB ALA 37 2HB ALA 37 -0.612 -2.126 -1.259 679 H GLN 38 H GLN 38 -2.718 -4.970 -1.937 680 HA GLN 38 HA GLN 38 -3.555 -3.767 -4.381 681 1HB GLN 38 1HB GLN 38 -3.598 -6.452 -3.082 682 2HB GLN 38 2HB GLN 38 -4.653 -6.235 -4.477 683 1HG GLN 38 1HG GLN 38 -2.282 -5.040 -5.284 684 2HG GLN 38 2HG GLN 38 -1.736 -6.446 -4.370 685 2HE2 GLN 38 2HE2 GLN 38 -2.694 -5.499 -7.448 686 1HE2 GLN 38 1HE2 GLN 38 -3.163 -7.013 -8.056 687 H ASN 39 H ASN 39 -5.323 -4.747 -1.493 688 HA ASN 39 HA ASN 39 -7.950 -4.159 -2.727 689 1HB ASN 39 1HB ASN 39 -6.987 -5.092 -0.005 690 2HB ASN 39 2HB ASN 39 -8.689 -4.817 -0.379 691 2HD2 ASN 39 2HD2 ASN 39 -8.862 -7.249 0.060 692 1HD2 ASN 39 1HD2 ASN 39 -8.506 -8.314 -1.212 693 H LEU 40 H LEU 40 -5.610 -2.170 -1.935 694 HA LEU 40 HA LEU 40 -5.459 0.023 -1.166 695 1HB LEU 40 1HB LEU 40 -8.392 -0.362 -1.766 696 2HB LEU 40 2HB LEU 40 -7.764 1.197 -1.232 697 HG LEU 40 HG LEU 40 -5.991 0.843 -3.124 698 1HD1 LEU 40 1HD1 LEU 40 -8.188 -1.108 -3.844 699 2HD1 LEU 40 2HD1 LEU 40 -7.111 -0.414 -5.057 700 3HD1 LEU 40 3HD1 LEU 40 -6.452 -1.409 -3.758 701 1HD2 LEU 40 1HD2 LEU 40 -8.094 2.422 -2.957 702 2HD2 LEU 40 2HD2 LEU 40 -7.292 2.203 -4.513 703 3HD2 LEU 40 3HD2 LEU 40 -8.776 1.319 -4.153 704 H GLU 41 H GLU 41 -6.127 -2.297 0.787 705 HA GLU 41 HA GLU 41 -7.664 -1.175 2.956 706 1HB GLU 41 1HB GLU 41 -5.418 -3.225 2.867 707 2HB GLU 41 2HB GLU 41 -6.504 -2.985 4.237 708 1HG GLU 41 1HG GLU 41 -8.043 -3.277 1.812 709 2HG GLU 41 2HG GLU 41 -6.935 -4.639 1.985 710 H PHE 42 H PHE 42 -4.170 -1.461 2.377 711 HA PHE 42 HA PHE 42 -2.350 -0.174 3.051 712 1HB PHE 42 1HB PHE 42 -4.688 1.664 2.925 713 2HB PHE 42 2HB PHE 42 -3.238 2.280 3.715 714 HD1 PHE 42 HD1 PHE 42 -1.039 1.061 2.260 715 HD2 PHE 42 HD2 PHE 42 -4.792 2.581 0.762 716 HE1 PHE 42 HE1 PHE 42 0.011 1.461 0.035 717 HE2 PHE 42 HE2 PHE 42 -3.740 2.983 -1.461 718 HZ PHE 42 HZ PHE 42 -1.337 2.425 -1.820 719 H GLU 43 H GLU 43 -5.004 0.699 5.335 720 HA GLU 43 HA GLU 43 -3.456 1.256 7.589 721 1HB GLU 43 1HB GLU 43 -5.876 1.490 7.514 722 2HB GLU 43 2HB GLU 43 -6.078 -0.249 7.299 723 1HG GLU 43 1HG GLU 43 -4.868 -0.517 9.540 724 2HG GLU 43 2HG GLU 43 -5.108 1.217 9.757 725 H GLU 44 H GLU 44 -4.854 -1.944 6.856 726 HA GLU 44 HA GLU 44 -3.038 -3.283 8.723 727 1HB GLU 44 2HB GLU 44 -4.314 -5.256 8.050 728 2HB GLU 44 1HB GLU 44 -5.426 -3.913 8.310 729 1HG GLU 44 1HG GLU 44 -5.441 -3.467 5.870 730 2HG GLU 44 2HG GLU 44 -4.358 -4.837 5.625 731 H ALA 45 H ALA 45 -3.030 -2.458 5.336 732 HA ALA 45 HA ALA 45 -1.194 -4.590 4.527 733 1HB ALA 45 1HB ALA 45 -1.550 -2.107 2.934 734 2HB ALA 45 2HB ALA 45 -3.013 -3.027 3.284 735 3HB ALA 45 3HB ALA 45 -1.673 -3.792 2.431 736 H ALA 46 H ALA 46 -0.882 -1.038 4.877 737 HA ALA 46 HA ALA 46 1.998 -1.170 4.430 738 1HB ALA 46 1HB ALA 46 1.825 1.157 4.377 739 2HB ALA 46 3HB ALA 46 0.208 0.652 3.889 740 3HB ALA 46 2HB ALA 46 0.502 1.182 5.547 741 H GLN 47 H GLN 47 -0.046 -1.355 7.256 742 HA GLN 47 HA GLN 47 1.885 -0.373 9.167 743 1HB GLN 47 2HB GLN 47 0.404 -1.433 10.792 744 2HB GLN 47 1HB GLN 47 -0.572 -0.657 9.549 745 1HG GLN 47 1HG GLN 47 -1.116 -2.717 8.527 746 2HG GLN 47 2HG GLN 47 0.193 -3.570 9.342 747 2HE2 GLN 47 2HE2 GLN 47 -1.016 -5.091 10.566 748 1HE2 GLN 47 1HE2 GLN 47 -2.168 -4.647 11.731 749 H ILE 48 H ILE 48 1.437 -3.427 7.494 750 HA ILE 48 HA ILE 48 2.909 -5.181 9.176 751 HB ILE 48 HB ILE 48 2.698 -4.971 6.151 752 1HG1 ILE 48 2HG1 ILE 48 0.534 -5.166 7.319 753 2HG1 ILE 48 1HG1 ILE 48 0.906 -6.655 6.449 754 1HG2 ILE 48 1HG2 ILE 48 3.736 -7.141 7.977 755 2HG2 ILE 48 2HG2 ILE 48 3.115 -7.510 6.368 756 3HG2 ILE 48 3HG2 ILE 48 4.509 -6.445 6.552 757 1HD1 ILE 48 1HD1 ILE 48 2.088 -6.938 8.995 758 2HD1 ILE 48 2HD1 ILE 48 0.480 -6.273 9.281 759 3HD1 ILE 48 3HD1 ILE 48 0.663 -7.778 8.383 760 H ARG 49 H ARG 49 3.945 -2.640 6.988 761 HA ARG 49 HA ARG 49 6.667 -3.263 6.594 762 1HB ARG 49 1HB ARG 49 5.600 -1.430 5.468 763 2HB ARG 49 2HB ARG 49 5.128 -0.681 6.991 764 1HG ARG 49 1HG ARG 49 7.971 -1.011 7.020 765 2HG ARG 49 2HG ARG 49 7.523 -0.264 5.486 766 1HD ARG 49 1HD ARG 49 7.910 1.437 7.281 767 2HD ARG 49 2HD ARG 49 6.235 1.469 6.694 768 HE ARG 49 HE ARG 49 5.607 0.113 8.685 769 1HH1 ARG 49 1HH1 ARG 49 8.926 0.150 8.745 770 2HH1 ARG 49 2HH1 ARG 49 9.084 0.702 10.379 771 1HH2 ARG 49 1HH2 ARG 49 5.714 1.434 10.737 772 2HH2 ARG 49 2HH2 ARG 49 7.265 1.429 11.507 773 H ASP 50 H ASP 50 5.010 -2.003 9.445 774 HA ASP 50 HA ASP 50 7.439 -1.299 10.895 775 1HB ASP 50 1HB ASP 50 5.032 -0.421 11.153 776 2HB ASP 50 2HB ASP 50 4.698 -1.923 12.016 777 H GLN 51 H GLN 51 5.295 -4.123 10.717 778 HA GLN 51 HA GLN 51 6.589 -5.551 12.906 779 1HB GLN 51 2HB GLN 51 4.838 -6.513 10.619 780 2HB GLN 51 1HB GLN 51 5.131 -7.369 12.133 781 1HG GLN 51 1HG GLN 51 3.987 -5.691 13.406 782 2HG GLN 51 2HG GLN 51 3.930 -4.593 12.027 783 2HE2 GLN 51 2HE2 GLN 51 3.236 -8.101 11.925 784 1HE2 GLN 51 1HE2 GLN 51 1.608 -7.928 11.478 785 H LEU 52 H LEU 52 6.760 -5.689 9.341 786 HA LEU 52 HA LEU 52 8.565 -7.890 9.127 787 1HB LEU 52 1HB LEU 52 7.285 -5.939 7.490 788 2HB LEU 52 2HB LEU 52 9.000 -5.916 7.083 789 HG LEU 52 HG LEU 52 7.786 -7.572 5.712 790 1HD1 LEU 52 1HD1 LEU 52 10.136 -7.968 7.172 791 2HD1 LEU 52 2HD1 LEU 52 9.228 -9.463 7.398 792 3HD1 LEU 52 3HD1 LEU 52 9.610 -8.901 5.771 793 1HD2 LEU 52 1HD2 LEU 52 6.129 -7.986 7.697 794 2HD2 LEU 52 2HD2 LEU 52 6.539 -9.334 6.637 795 3HD2 LEU 52 3HD2 LEU 52 7.317 -9.183 8.212 796 H HIS 53 H HIS 53 9.204 -4.369 9.255 797 HA HIS 53 HA HIS 53 12.019 -4.432 9.003 798 1HB HIS 53 1HB HIS 53 10.055 -2.568 9.359 799 2HB HIS 53 2HB HIS 53 10.844 -2.517 10.935 800 HD1 HIS 53 HD1 HIS 53 12.724 -0.897 11.017 801 HD2 HIS 53 HD2 HIS 53 12.256 -2.488 7.192 802 HE1 HIS 53 HE1 HIS 53 14.487 0.199 9.564 803 H GLN 54 H GLN 54 9.987 -4.789 11.916 804 HA GLN 54 HA GLN 54 12.197 -4.939 13.776 805 1HB GLN 54 1HB GLN 54 9.256 -5.355 13.711 806 2HB GLN 54 2HB GLN 54 10.120 -6.180 15.009 807 1HG GLN 54 1HG GLN 54 10.816 -3.325 14.487 808 2HG GLN 54 2HG GLN 54 9.276 -3.659 15.280 809 2HE2 GLN 54 2HE2 GLN 54 9.604 -3.383 17.495 810 1HE2 GLN 54 1HE2 GLN 54 10.923 -4.002 18.365 811 H LEU 55 H LEU 55 10.076 -7.449 12.340 812 HA LEU 55 HA LEU 55 11.261 -9.727 13.511 813 1HB LEU 55 1HB LEU 55 9.976 -9.205 10.817 814 2HB LEU 55 2HB LEU 55 10.373 -10.827 11.385 815 HG LEU 55 HG LEU 55 8.882 -9.122 13.300 816 1HD1 LEU 55 1HD1 LEU 55 7.981 -8.968 10.746 817 2HD1 LEU 55 2HD1 LEU 55 7.182 -10.452 11.264 818 3HD1 LEU 55 3HD1 LEU 55 6.912 -8.951 12.150 819 1HD2 LEU 55 1HD2 LEU 55 8.679 -11.989 12.327 820 2HD2 LEU 55 2HD2 LEU 55 9.428 -11.440 13.826 821 3HD2 LEU 55 3HD2 LEU 55 7.683 -11.301 13.610 822 H ARG 56 H ARG 56 12.500 -7.606 11.039 823 HA ARG 56 HA ARG 56 14.335 -9.387 9.742 824 1HB ARG 56 1HB ARG 56 13.662 -7.198 8.870 825 2HB ARG 56 2HB ARG 56 14.392 -6.396 10.262 826 1HG ARG 56 1HG ARG 56 16.394 -8.077 9.177 827 2HG ARG 56 2HG ARG 56 15.650 -7.247 7.810 828 1HD ARG 56 1HD ARG 56 15.974 -5.069 8.977 829 2HD ARG 56 2HD ARG 56 16.794 -5.925 10.299 830 HE ARG 56 HE ARG 56 18.224 -6.847 8.223 831 1HH1 ARG 56 1HH1 ARG 56 16.787 -4.290 6.970 832 2HH1 ARG 56 2HH1 ARG 56 18.144 -3.214 6.947 833 1HH2 ARG 56 1HH2 ARG 56 20.091 -5.204 9.014 834 2HH2 ARG 56 2HH2 ARG 56 20.016 -3.732 8.105 835 H GLU 57 H GLU 57 14.886 -7.026 12.390 836 HA GLU 57 HA GLU 57 17.608 -7.700 12.886 837 1HB GLU 57 1HB GLU 57 16.433 -5.692 13.710 838 2HB GLU 57 2HB GLU 57 15.423 -6.702 14.744 839 1HG GLU 57 2HG GLU 57 17.057 -6.116 16.268 840 2HG GLU 57 1HG GLU 57 17.792 -7.573 15.598 841 H LEU 58 H LEU 58 14.590 -9.145 14.057 842 HA LEU 58 HA LEU 58 15.775 -10.816 16.087 843 1HB LEU 58 1HB LEU 58 13.218 -10.879 14.464 844 2HB LEU 58 2HB LEU 58 13.548 -12.034 15.756 845 HG LEU 58 HG LEU 58 13.786 -9.070 16.244 846 1HD1 LEU 58 1HD1 LEU 58 11.298 -10.793 16.310 847 2HD1 LEU 58 2HD1 LEU 58 11.429 -9.266 17.183 848 3HD1 LEU 58 3HD1 LEU 58 11.542 -9.288 15.424 849 1HD2 LEU 58 1HD2 LEU 58 13.337 -11.540 17.939 850 2HD2 LEU 58 2HD2 LEU 58 14.722 -10.450 17.971 851 3HD2 LEU 58 3HD2 LEU 58 13.156 -9.903 18.569 852 H PHE 59 H PHE 59 15.521 -11.074 12.614 853 HA PHE 59 HA PHE 59 15.696 -13.881 12.242 854 1HB PHE 59 1HB PHE 59 15.295 -12.126 10.513 855 2HB PHE 59 2HB PHE 59 16.984 -11.637 10.654 856 HD1 PHE 59 HD1 PHE 59 18.817 -13.187 9.971 857 HD2 PHE 59 HD2 PHE 59 14.654 -14.149 9.346 858 HE1 PHE 59 HE1 PHE 59 19.472 -14.978 8.366 859 HE2 PHE 59 HE2 PHE 59 15.310 -15.940 7.740 860 HZ PHE 59 HZ PHE 59 17.719 -16.354 7.250 861 H ILE 60 H ILE 60 18.332 -11.471 12.550 862 HA ILE 60 HA ILE 60 20.447 -13.455 12.453 863 HB ILE 60 HB ILE 60 20.391 -10.612 13.520 864 1HG1 ILE 60 2HG1 ILE 60 21.554 -10.786 10.936 865 2HG1 ILE 60 1HG1 ILE 60 20.028 -11.670 10.864 866 1HG2 ILE 60 1HG2 ILE 60 22.408 -12.459 13.729 867 2HG2 ILE 60 2HG2 ILE 60 22.798 -11.685 12.193 868 3HG2 ILE 60 3HG2 ILE 60 22.659 -10.715 13.659 869 1HD1 ILE 60 1HD1 ILE 60 19.395 -9.407 12.348 870 2HD1 ILE 60 2HD1 ILE 60 20.495 -8.794 11.113 871 3HD1 ILE 60 3HD1 ILE 60 19.030 -9.655 10.641 872 H ALA 61 H ALA 61 18.909 -11.612 15.109 873 HA ALA 61 HA ALA 61 20.448 -12.535 17.277 874 1HB ALA 61 1HB ALA 61 18.172 -11.023 16.831 875 2HB ALA 61 3HB ALA 61 18.852 -11.386 18.417 876 3HB ALA 61 2HB ALA 61 17.554 -12.386 17.765 877 H ALA 62 H ALA 62 17.981 -14.213 15.414 878 HA ALA 62 HA ALA 62 17.870 -16.456 17.352 879 1HB ALA 62 1HB ALA 62 16.482 -16.934 14.889 880 2HB ALA 62 3HB ALA 62 16.197 -15.261 15.366 881 3HB ALA 62 2HB ALA 62 15.794 -16.574 16.472 882 H SER 63 H SER 63 18.394 -16.201 13.808 883 HA SER 63 HA SER 63 20.331 -18.484 14.047 884 1HB SER 63 1HB SER 63 19.542 -19.073 11.774 885 2HB SER 63 2HB SER 63 18.198 -19.006 12.911 886 HG SER 63 HG SER 63 18.377 -17.726 10.675 No H/Q in entry = 886 Start of MODEL 9 1 H LEU 8 H LEU 8 -25.721 19.683 -8.727 2 HA LEU 8 HA LEU 8 -28.001 19.226 -8.171 3 1HB LEU 8 1HB LEU 8 -27.525 19.843 -10.737 4 2HB LEU 8 2HB LEU 8 -28.212 18.238 -10.982 5 HG LEU 8 HG LEU 8 -30.079 19.067 -9.348 6 1HD1 LEU 8 1HD1 LEU 8 -28.908 21.673 -10.368 7 2HD1 LEU 8 2HD1 LEU 8 -30.459 21.518 -9.544 8 3HD1 LEU 8 3HD1 LEU 8 -28.965 21.145 -8.686 9 1HD2 LEU 8 1HD2 LEU 8 -29.754 20.025 -12.206 10 2HD2 LEU 8 2HD2 LEU 8 -30.554 18.551 -11.661 11 3HD2 LEU 8 3HD2 LEU 8 -31.271 20.124 -11.315 12 H GLU 9 H GLU 9 -26.248 16.930 -7.613 13 HA GLU 9 HA GLU 9 -26.430 14.614 -7.170 14 1HB GLU 9 1HB GLU 9 -29.135 15.846 -7.093 15 2HB GLU 9 2HB GLU 9 -29.091 14.084 -7.141 16 1HG GLU 9 1HG GLU 9 -28.135 13.913 -5.065 17 2HG GLU 9 2HG GLU 9 -27.202 15.398 -5.259 18 HA PRO 10 HA PRO 10 -27.510 13.904 -11.716 19 1HB PRO 10 1HB PRO 10 -24.967 13.633 -12.691 20 2HB PRO 10 2HB PRO 10 -25.819 15.190 -12.634 21 1HG PRO 10 2HG PRO 10 -23.733 14.106 -10.811 22 2HG PRO 10 1HG PRO 10 -23.974 15.759 -11.398 23 1HD PRO 10 1HD PRO 10 -24.708 14.912 -8.906 24 2HD PRO 10 2HD PRO 10 -25.494 16.255 -9.765 25 H ASP 11 H ASP 11 -24.741 12.535 -9.907 26 HA ASP 11 HA ASP 11 -24.147 10.300 -9.455 27 1HB ASP 11 1HB ASP 11 -27.077 10.486 -9.576 28 2HB ASP 11 2HB ASP 11 -26.474 8.861 -9.902 29 H ASN 12 H ASN 12 -26.648 9.483 -11.825 30 HA ASN 12 HA ASN 12 -24.638 9.019 -13.945 31 1HB ASN 12 1HB ASN 12 -25.208 6.603 -14.032 32 2HB ASN 12 2HB ASN 12 -24.507 7.043 -12.474 33 2HD2 ASN 12 2HD2 ASN 12 -27.586 6.264 -14.098 34 1HD2 ASN 12 1HD2 ASN 12 -28.441 5.923 -12.672 35 H VAL 13 H VAL 13 -27.316 10.470 -13.366 36 HA VAL 13 HA VAL 13 -29.130 9.185 -15.308 37 HB VAL 13 HB VAL 13 -29.207 11.355 -13.252 38 1HG1 VAL 13 1HG1 VAL 13 -30.907 11.318 -15.735 39 2HG1 VAL 13 2HG1 VAL 13 -31.601 11.855 -14.206 40 3HG1 VAL 13 3HG1 VAL 13 -30.210 12.700 -14.888 41 1HG2 VAL 13 1HG2 VAL 13 -30.952 9.024 -14.064 42 2HG2 VAL 13 2HG2 VAL 13 -29.949 9.168 -12.620 43 3HG2 VAL 13 3HG2 VAL 13 -31.394 10.164 -12.792 44 HA PRO 14 HA PRO 14 -28.059 13.122 -17.709 45 1HB PRO 14 1HB PRO 14 -26.146 14.828 -16.752 46 2HB PRO 14 2HB PRO 14 -27.858 14.945 -16.309 47 1HG PRO 14 2HG PRO 14 -25.576 13.984 -14.725 48 2HG PRO 14 1HG PRO 14 -27.125 14.648 -14.197 49 1HD PRO 14 1HD PRO 14 -26.369 11.924 -14.247 50 2HD PRO 14 2HD PRO 14 -27.972 12.593 -13.900 51 H MET 15 H MET 15 -24.823 13.056 -16.210 52 HA MET 15 HA MET 15 -23.698 11.082 -17.972 53 1HB MET 15 1HB MET 15 -24.295 13.586 -19.124 54 2HB MET 15 2HB MET 15 -22.548 13.586 -18.884 55 1HG MET 15 1HG MET 15 -22.221 11.744 -20.277 56 2HG MET 15 2HG MET 15 -23.870 11.159 -20.057 57 1HE MET 15 1HE MET 15 -24.062 10.567 -22.107 58 2HE MET 15 2HE MET 15 -24.943 11.548 -23.275 59 3HE MET 15 3HE MET 15 -23.190 11.352 -23.422 60 H ASP 16 H ASP 16 -21.238 11.158 -17.854 61 HA ASP 16 HA ASP 16 -20.358 12.491 -15.312 62 1HB ASP 16 1HB ASP 16 -19.762 9.808 -16.573 63 2HB ASP 16 2HB ASP 16 -18.768 10.470 -15.275 64 H MET 17 H MET 17 -20.174 13.661 -18.005 65 HA MET 17 HA MET 17 -17.688 13.336 -19.296 66 1HB MET 17 2HB MET 17 -18.115 15.652 -20.068 67 2HB MET 17 1HB MET 17 -19.597 14.695 -20.087 68 1HG MET 17 1HG MET 17 -19.908 15.624 -17.654 69 2HG MET 17 2HG MET 17 -18.779 16.871 -18.182 70 1HE MET 17 1HE MET 17 -19.847 18.692 -18.020 71 2HE MET 17 2HE MET 17 -19.686 19.055 -19.743 72 3HE MET 17 3HE MET 17 -21.224 19.318 -18.924 73 H SER 18 H SER 18 -18.468 14.977 -16.279 74 HA SER 18 HA SER 18 -17.076 15.982 -14.658 75 1HB SER 18 1HB SER 18 -14.931 14.396 -16.096 76 2HB SER 18 2HB SER 18 -14.943 14.878 -14.401 77 HG SER 18 HG SER 18 -16.268 12.822 -15.698 78 HA PRO 19 HA PRO 19 -14.990 19.317 -16.631 79 1HB PRO 19 1HB PRO 19 -13.368 20.223 -14.630 80 2HB PRO 19 2HB PRO 19 -15.132 20.404 -14.609 81 1HG PRO 19 1HG PRO 19 -13.423 18.624 -13.039 82 2HG PRO 19 2HG PRO 19 -15.064 19.186 -12.714 83 1HD PRO 19 1HD PRO 19 -14.251 16.650 -13.744 84 2HD PRO 19 2HD PRO 19 -15.905 17.237 -13.465 85 H LYS 20 H LYS 20 -13.528 16.546 -16.630 86 HA LYS 20 HA LYS 20 -11.538 15.725 -17.585 87 1HB LYS 20 1HB LYS 20 -12.153 17.719 -19.087 88 2HB LYS 20 2HB LYS 20 -10.918 18.617 -18.206 89 1HG LYS 20 1HG LYS 20 -10.145 15.931 -19.229 90 2HG LYS 20 2HG LYS 20 -10.353 17.211 -20.426 91 1HD LYS 20 1HD LYS 20 -8.920 18.583 -18.620 92 2HD LYS 20 2HD LYS 20 -8.332 16.962 -18.249 93 1HE LYS 20 1HE LYS 20 -7.502 16.636 -20.457 94 2HE LYS 20 2HE LYS 20 -8.429 18.009 -21.091 95 1HZ LYS 20 1HZ LYS 20 -6.406 18.293 -18.943 96 2HZ LYS 20 2HZ LYS 20 -6.020 18.474 -20.587 97 3HZ LYS 20 3HZ LYS 20 -7.136 19.524 -19.853 98 H ALA 21 H ALA 21 -10.479 18.926 -16.346 99 HA ALA 21 HA ALA 21 -7.954 18.255 -15.418 100 1HB ALA 21 1HB ALA 21 -8.633 20.507 -15.326 101 2HB ALA 21 2HB ALA 21 -10.108 20.120 -14.441 102 3HB ALA 21 3HB ALA 21 -8.548 20.057 -13.623 103 H LEU 22 H LEU 22 -10.993 17.929 -13.557 104 HA LEU 22 HA LEU 22 -9.634 16.659 -11.289 105 1HB LEU 22 1HB LEU 22 -12.481 17.248 -12.119 106 2HB LEU 22 2HB LEU 22 -12.128 16.320 -10.661 107 HG LEU 22 HG LEU 22 -10.626 18.219 -9.926 108 1HD1 LEU 22 1HD1 LEU 22 -11.728 19.313 -12.484 109 2HD1 LEU 22 2HD1 LEU 22 -11.448 20.430 -11.148 110 3HD1 LEU 22 3HD1 LEU 22 -10.113 19.481 -11.800 111 1HD2 LEU 22 1HD2 LEU 22 -13.600 18.470 -10.300 112 2HD2 LEU 22 2HD2 LEU 22 -12.685 18.202 -8.816 113 3HD2 LEU 22 3HD2 LEU 22 -12.702 19.799 -9.565 114 H GLN 23 H GLN 23 -11.781 15.663 -13.932 115 HA GLN 23 HA GLN 23 -12.189 12.954 -13.303 116 1HB GLN 23 1HB GLN 23 -13.138 14.337 -15.193 117 2HB GLN 23 2HB GLN 23 -11.605 14.123 -16.041 118 1HG GLN 23 1HG GLN 23 -11.982 11.587 -15.651 119 2HG GLN 23 2HG GLN 23 -13.655 12.034 -15.313 120 2HE2 GLN 23 2HE2 GLN 23 -11.603 11.123 -17.821 121 1HE2 GLN 23 1HE2 GLN 23 -12.492 11.748 -19.126 122 H GLN 24 H GLN 24 -9.434 14.406 -15.067 123 HA GLN 24 HA GLN 24 -8.050 11.900 -15.481 124 1HB GLN 24 1HB GLN 24 -7.774 14.726 -16.035 125 2HB GLN 24 2HB GLN 24 -6.236 14.072 -15.470 126 1HG GLN 24 1HG GLN 24 -7.604 12.301 -17.365 127 2HG GLN 24 2HG GLN 24 -7.201 13.874 -18.057 128 2HE2 GLN 24 2HE2 GLN 24 -5.870 10.840 -16.964 129 1HE2 GLN 24 1HE2 GLN 24 -4.244 11.210 -17.274 130 H LYS 25 H LYS 25 -7.617 14.559 -13.120 131 HA LYS 25 HA LYS 25 -5.419 13.436 -11.699 132 1HB LYS 25 1HB LYS 25 -7.468 15.523 -11.389 133 2HB LYS 25 2HB LYS 25 -6.891 14.875 -9.853 134 1HG LYS 25 2HG LYS 25 -5.484 16.759 -10.524 135 2HG LYS 25 1HG LYS 25 -4.549 15.265 -10.602 136 1HD LYS 25 1HD LYS 25 -5.354 15.195 -13.093 137 2HD LYS 25 2HD LYS 25 -5.657 16.917 -12.858 138 1HE LYS 25 1HE LYS 25 -3.246 17.052 -11.951 139 2HE LYS 25 2HE LYS 25 -3.021 15.444 -12.667 140 1HZ LYS 25 1HZ LYS 25 -3.963 16.354 -14.754 141 2HZ LYS 25 2HZ LYS 25 -3.937 17.904 -14.058 142 3HZ LYS 25 3HZ LYS 25 -2.484 17.068 -14.320 143 H ILE 26 H ILE 26 -8.931 13.233 -11.002 144 HA ILE 26 HA ILE 26 -8.822 11.630 -8.685 145 HB ILE 26 HB ILE 26 -10.789 11.695 -10.996 146 1HG1 ILE 26 1HG1 ILE 26 -10.993 13.050 -8.300 147 2HG1 ILE 26 2HG1 ILE 26 -10.226 13.835 -9.681 148 1HG2 ILE 26 1HG2 ILE 26 -10.680 9.992 -8.685 149 2HG2 ILE 26 2HG2 ILE 26 -12.043 11.098 -8.515 150 3HG2 ILE 26 3HG2 ILE 26 -11.919 10.063 -9.937 151 1HD1 ILE 26 1HD1 ILE 26 -12.742 12.687 -10.498 152 2HD1 ILE 26 2HD1 ILE 26 -12.991 13.724 -9.093 153 3HD1 ILE 26 3HD1 ILE 26 -12.231 14.374 -10.546 154 H HIS 27 H HIS 27 -9.298 10.470 -12.051 155 HA HIS 27 HA HIS 27 -8.981 7.687 -11.397 156 1HB HIS 27 1HB HIS 27 -9.893 9.106 -13.493 157 2HB HIS 27 2HB HIS 27 -8.276 8.742 -14.096 158 HD1 HIS 27 HD1 HIS 27 -7.880 6.420 -14.982 159 HD2 HIS 27 HD2 HIS 27 -11.405 6.670 -12.769 160 HE1 HIS 27 HE1 HIS 27 -9.053 4.191 -15.248 161 H GLU 28 H GLU 28 -6.692 10.255 -11.904 162 HA GLU 28 HA GLU 28 -4.445 8.545 -12.655 163 1HB GLU 28 1HB GLU 28 -4.984 11.406 -11.975 164 2HB GLU 28 2HB GLU 28 -3.315 10.843 -11.873 165 1HG GLU 28 1HG GLU 28 -4.831 10.045 -14.302 166 2HG GLU 28 2HG GLU 28 -4.400 11.750 -14.170 167 H LEU 29 H LEU 29 -5.413 10.277 -9.670 168 HA LEU 29 HA LEU 29 -3.277 9.548 -7.993 169 1HB LEU 29 1HB LEU 29 -6.245 9.934 -7.525 170 2HB LEU 29 2HB LEU 29 -5.095 9.745 -6.201 171 HG LEU 29 HG LEU 29 -4.428 11.748 -8.305 172 1HD1 LEU 29 1HD1 LEU 29 -6.969 11.848 -7.432 173 2HD1 LEU 29 2HD1 LEU 29 -6.186 12.675 -6.084 174 3HD1 LEU 29 3HD1 LEU 29 -6.018 13.305 -7.723 175 1HD2 LEU 29 1HD2 LEU 29 -4.119 11.463 -5.310 176 2HD2 LEU 29 2HD2 LEU 29 -2.851 11.499 -6.535 177 3HD2 LEU 29 3HD2 LEU 29 -3.745 12.968 -6.149 178 H GLU 30 H GLU 30 -6.162 7.669 -8.885 179 HA GLU 30 HA GLU 30 -5.758 5.494 -7.054 180 1HB GLU 30 1HB GLU 30 -7.706 6.287 -8.722 181 2HB GLU 30 2HB GLU 30 -6.959 5.069 -9.756 182 1HG GLU 30 1HG GLU 30 -7.299 4.181 -6.979 183 2HG GLU 30 2HG GLU 30 -8.824 4.549 -7.785 184 H GLY 31 H GLY 31 -4.776 5.948 -10.466 185 1HA GLY 31 2HA GLY 31 -3.150 4.833 -11.739 186 2HA GLY 31 1HA GLY 31 -3.523 3.402 -10.777 187 H LEU 32 H LEU 32 -2.385 6.440 -9.398 188 HA LEU 32 HA LEU 32 0.408 5.602 -9.228 189 1HB LEU 32 1HB LEU 32 -0.666 7.963 -9.330 190 2HB LEU 32 2HB LEU 32 -0.966 7.748 -7.605 191 HG LEU 32 HG LEU 32 1.582 7.060 -7.558 192 1HD1 LEU 32 1HD1 LEU 32 1.343 8.755 -10.061 193 2HD1 LEU 32 2HD1 LEU 32 2.862 8.421 -9.231 194 3HD1 LEU 32 3HD1 LEU 32 1.948 7.102 -9.961 195 1HD2 LEU 32 1HD2 LEU 32 0.264 9.741 -7.581 196 2HD2 LEU 32 2HD2 LEU 32 1.116 8.922 -6.273 197 3HD2 LEU 32 3HD2 LEU 32 2.028 9.704 -7.564 198 H MET 33 H MET 33 -2.454 5.231 -7.260 199 HA MET 33 HA MET 33 -1.268 4.840 -4.693 200 1HB MET 33 1HB MET 33 -3.791 4.695 -5.957 201 2HB MET 33 2HB MET 33 -3.545 3.121 -5.199 202 1HG MET 33 1HG MET 33 -3.765 3.976 -3.116 203 2HG MET 33 2HG MET 33 -2.708 5.340 -3.481 204 1HE MET 33 1HE MET 33 -6.010 3.679 -3.817 205 2HE MET 33 2HE MET 33 -6.228 4.591 -2.325 206 3HE MET 33 3HE MET 33 -7.217 4.961 -3.743 207 H MET 34 H MET 34 -2.359 2.320 -7.011 208 HA MET 34 HA MET 34 -1.136 0.131 -5.638 209 1HB MET 34 1HB MET 34 -2.932 0.307 -7.538 210 2HB MET 34 2HB MET 34 -1.539 0.261 -8.620 211 1HG MET 34 1HG MET 34 -1.068 -1.925 -8.142 212 2HG MET 34 2HG MET 34 -1.561 -1.768 -6.457 213 1HE MET 34 1HE MET 34 -3.671 -1.891 -5.523 214 2HE MET 34 2HE MET 34 -4.544 -0.680 -6.473 215 3HE MET 34 3HE MET 34 -5.210 -2.299 -6.276 216 H GLN 35 H GLN 35 0.099 2.389 -8.063 217 HA GLN 35 HA GLN 35 2.405 1.060 -8.964 218 1HB GLN 35 1HB GLN 35 1.610 3.196 -9.826 219 2HB GLN 35 2HB GLN 35 1.908 3.974 -8.273 220 1HG GLN 35 2HG GLN 35 3.965 4.488 -9.042 221 2HG GLN 35 1HG GLN 35 4.348 2.771 -8.927 222 2HE2 GLN 35 2HE2 GLN 35 2.952 5.189 -11.193 223 1HE2 GLN 35 1HE2 GLN 35 3.423 4.365 -12.600 224 H HIS 36 H HIS 36 2.720 3.656 -6.542 225 HA HIS 36 HA HIS 36 5.195 2.857 -5.487 226 1HB HIS 36 1HB HIS 36 2.801 4.322 -4.374 227 2HB HIS 36 2HB HIS 36 4.287 4.150 -3.438 228 HD1 HIS 36 HD1 HIS 36 6.334 4.457 -5.756 229 HD2 HIS 36 HD2 HIS 36 3.068 6.983 -5.180 230 HE1 HIS 36 HE1 HIS 36 6.896 6.632 -6.924 231 H ALA 37 H ALA 37 1.946 2.069 -4.170 232 HA ALA 37 HA ALA 37 2.641 0.489 -1.974 233 1HB ALA 37 1HB ALA 37 0.426 0.620 -3.962 234 2HB ALA 37 2HB ALA 37 0.485 -0.822 -2.949 235 3HB ALA 37 3HB ALA 37 0.368 0.773 -2.206 236 H GLN 38 H GLN 38 2.403 -0.536 -5.398 237 HA GLN 38 HA GLN 38 2.985 -3.298 -5.035 238 1HB GLN 38 1HB GLN 38 3.090 -1.250 -7.188 239 2HB GLN 38 2HB GLN 38 4.057 -2.699 -7.464 240 1HG GLN 38 1HG GLN 38 1.983 -4.047 -6.842 241 2HG GLN 38 2HG GLN 38 1.082 -2.534 -6.943 242 2HE2 GLN 38 2HE2 GLN 38 -0.066 -3.656 -8.815 243 1HE2 GLN 38 1HE2 GLN 38 0.665 -3.617 -10.345 244 H ASN 39 H ASN 39 5.067 -0.450 -5.214 245 HA ASN 39 HA ASN 39 7.529 -2.098 -5.110 246 1HB ASN 39 1HB ASN 39 6.704 0.652 -5.761 247 2HB ASN 39 2HB ASN 39 8.215 0.569 -4.854 248 2HD2 ASN 39 2HD2 ASN 39 7.512 1.038 -7.876 249 1HD2 ASN 39 1HD2 ASN 39 8.578 -0.010 -8.680 250 H LEU 40 H LEU 40 5.361 -1.648 -2.866 251 HA LEU 40 HA LEU 40 5.365 -1.462 -0.531 252 1HB LEU 40 1HB LEU 40 8.151 -2.282 -1.313 253 2HB LEU 40 2HB LEU 40 7.780 -1.975 0.384 254 HG LEU 40 HG LEU 40 5.706 -3.523 -0.086 255 1HD1 LEU 40 1HD1 LEU 40 7.404 -3.823 -2.486 256 2HD1 LEU 40 2HD1 LEU 40 6.891 -5.341 -1.748 257 3HD1 LEU 40 3HD1 LEU 40 5.687 -4.164 -2.272 258 1HD2 LEU 40 1HD2 LEU 40 7.711 -3.963 1.408 259 2HD2 LEU 40 2HD2 LEU 40 6.978 -5.408 0.711 260 3HD2 LEU 40 3HD2 LEU 40 8.470 -4.760 0.031 261 H GLU 41 H GLU 41 6.001 0.976 -2.255 262 HA GLU 41 HA GLU 41 7.887 2.618 -0.792 263 1HB GLU 41 1HB GLU 41 5.766 2.925 -2.877 264 2HB GLU 41 2HB GLU 41 6.291 4.386 -2.040 265 1HG GLU 41 1HG GLU 41 8.249 2.433 -3.264 266 2HG GLU 41 2HG GLU 41 7.583 3.796 -4.165 267 H PHE 42 H PHE 42 4.341 2.325 -0.786 268 HA PHE 42 HA PHE 42 2.731 3.057 0.771 269 1HB PHE 42 1HB PHE 42 5.125 2.061 2.281 270 2HB PHE 42 2HB PHE 42 3.760 2.721 3.181 271 HD1 PHE 42 HD1 PHE 42 1.421 1.921 1.639 272 HD2 PHE 42 HD2 PHE 42 5.041 -0.286 2.463 273 HE1 PHE 42 HE1 PHE 42 0.183 -0.221 1.343 274 HE2 PHE 42 HE2 PHE 42 3.801 -2.427 2.166 275 HZ PHE 42 HZ PHE 42 1.371 -2.392 1.610 276 H GLU 43 H GLU 43 2.591 4.503 2.890 277 HA GLU 43 HA GLU 43 2.705 6.625 3.862 278 1HB GLU 43 1HB GLU 43 5.089 6.134 4.128 279 2HB GLU 43 2HB GLU 43 5.402 6.588 2.456 280 1HG GLU 43 1HG GLU 43 4.434 8.870 3.018 281 2HG GLU 43 2HG GLU 43 4.508 8.382 4.713 282 H GLU 44 H GLU 44 4.289 6.886 0.714 283 HA GLU 44 HA GLU 44 2.726 9.272 0.007 284 1HB GLU 44 2HB GLU 44 4.153 9.224 -1.984 285 2HB GLU 44 1HB GLU 44 5.140 8.927 -0.555 286 1HG GLU 44 1HG GLU 44 5.132 6.532 -0.982 287 2HG GLU 44 2HG GLU 44 4.006 6.741 -2.324 288 H ALA 45 H ALA 45 2.766 5.818 -0.732 289 HA ALA 45 HA ALA 45 0.857 6.023 -2.942 290 1HB ALA 45 1HB ALA 45 1.389 3.493 -1.449 291 2HB ALA 45 3HB ALA 45 2.758 4.273 -2.241 292 3HB ALA 45 2HB ALA 45 1.355 3.781 -3.188 293 H ALA 46 H ALA 46 0.709 4.842 0.436 294 HA ALA 46 HA ALA 46 -2.120 4.219 0.294 295 1HB ALA 46 1HB ALA 46 -0.337 3.211 1.785 296 2HB ALA 46 3HB ALA 46 -0.382 4.705 2.725 297 3HB ALA 46 2HB ALA 46 -1.816 3.684 2.621 298 H GLN 47 H GLN 47 -0.337 7.145 0.901 299 HA GLN 47 HA GLN 47 -2.369 8.491 2.479 300 1HB GLN 47 1HB GLN 47 0.155 9.128 1.033 301 2HB GLN 47 2HB GLN 47 -0.930 10.479 1.360 302 1HG GLN 47 1HG GLN 47 -0.164 8.509 3.516 303 2HG GLN 47 2HG GLN 47 0.819 9.932 3.169 304 2HE2 GLN 47 2HE2 GLN 47 -0.616 9.542 5.674 305 1HE2 GLN 47 1HE2 GLN 47 -1.791 10.763 5.779 306 H ILE 48 H ILE 48 -1.981 7.813 -0.908 307 HA ILE 48 HA ILE 48 -3.522 10.013 -1.968 308 HB ILE 48 HB ILE 48 -2.979 7.217 -3.018 309 1HG1 ILE 48 2HG1 ILE 48 -0.919 8.432 -2.440 310 2HG1 ILE 48 1HG1 ILE 48 -1.087 8.313 -4.191 311 1HG2 ILE 48 1HG2 ILE 48 -4.770 8.957 -4.047 312 2HG2 ILE 48 2HG2 ILE 48 -3.304 9.565 -4.815 313 3HG2 ILE 48 3HG2 ILE 48 -3.793 7.888 -5.055 314 1HD1 ILE 48 1HD1 ILE 48 -2.455 10.667 -3.458 315 2HD1 ILE 48 2HD1 ILE 48 -0.950 10.683 -2.538 316 3HD1 ILE 48 3HD1 ILE 48 -0.908 10.554 -4.297 317 H ARG 49 H ARG 49 -4.384 6.852 -0.634 318 HA ARG 49 HA ARG 49 -6.979 6.502 -1.662 319 1HB ARG 49 1HB ARG 49 -7.333 5.178 0.368 320 2HB ARG 49 2HB ARG 49 -5.679 4.948 -0.196 321 1HG ARG 49 2HG ARG 49 -5.188 5.406 1.994 322 2HG ARG 49 1HG ARG 49 -5.302 7.072 1.429 323 1HD ARG 49 1HD ARG 49 -7.870 6.778 1.980 324 2HD ARG 49 2HD ARG 49 -7.276 5.488 3.046 325 HE ARG 49 HE ARG 49 -5.711 7.932 3.284 326 1HH1 ARG 49 1HH1 ARG 49 -8.962 7.272 3.828 327 2HH1 ARG 49 2HH1 ARG 49 -8.939 7.662 5.514 328 1HH2 ARG 49 1HH2 ARG 49 -5.492 8.005 5.661 329 2HH2 ARG 49 2HH2 ARG 49 -6.975 8.077 6.553 330 H ASP 50 H ASP 50 -5.820 8.806 0.722 331 HA ASP 50 HA ASP 50 -8.480 9.559 1.681 332 1HB ASP 50 1HB ASP 50 -5.897 9.785 2.565 333 2HB ASP 50 2HB ASP 50 -6.191 11.416 1.962 334 H GLN 51 H GLN 51 -6.145 10.776 -0.703 335 HA GLN 51 HA GLN 51 -7.530 13.233 -1.307 336 1HB GLN 51 2HB GLN 51 -5.656 11.497 -2.951 337 2HB GLN 51 1HB GLN 51 -6.027 13.191 -3.275 338 1HG GLN 51 1HG GLN 51 -5.085 13.838 -1.104 339 2HG GLN 51 2HG GLN 51 -4.758 12.146 -0.725 340 2HE2 GLN 51 2HE2 GLN 51 -4.272 13.826 -3.863 341 1HE2 GLN 51 1HE2 GLN 51 -2.597 13.555 -3.922 342 H LEU 52 H LEU 52 -7.764 9.918 -2.543 343 HA LEU 52 HA LEU 52 -9.280 10.321 -4.885 344 1HB LEU 52 1HB LEU 52 -8.652 8.217 -2.981 345 2HB LEU 52 2HB LEU 52 -10.297 8.039 -3.589 346 HG LEU 52 HG LEU 52 -7.795 8.322 -5.281 347 1HD1 LEU 52 1HD1 LEU 52 -8.791 6.083 -3.998 348 2HD1 LEU 52 2HD1 LEU 52 -9.516 5.967 -5.602 349 3HD1 LEU 52 3HD1 LEU 52 -7.763 6.062 -5.431 350 1HD2 LEU 52 1HD2 LEU 52 -10.537 8.906 -5.859 351 2HD2 LEU 52 2HD2 LEU 52 -9.165 8.923 -6.967 352 3HD2 LEU 52 3HD2 LEU 52 -10.094 7.442 -6.737 353 H HIS 53 H HIS 53 -10.510 9.774 -1.559 354 HA HIS 53 HA HIS 53 -13.274 10.254 -2.260 355 1HB HIS 53 1HB HIS 53 -11.655 10.157 0.292 356 2HB HIS 53 2HB HIS 53 -13.393 10.454 0.309 357 HD1 HIS 53 HD1 HIS 53 -10.867 7.777 -0.147 358 HD2 HIS 53 HD2 HIS 53 -14.974 8.232 -0.700 359 HE1 HIS 53 HE1 HIS 53 -11.813 5.446 -0.441 360 H GLN 54 H GLN 54 -10.675 12.283 -0.919 361 HA GLN 54 HA GLN 54 -12.225 14.594 -0.299 362 1HB GLN 54 1HB GLN 54 -9.660 13.806 -0.011 363 2HB GLN 54 2HB GLN 54 -9.469 14.879 -1.397 364 1HG GLN 54 1HG GLN 54 -10.912 16.543 0.011 365 2HG GLN 54 2HG GLN 54 -10.432 15.534 1.376 366 2HE2 GLN 54 2HE2 GLN 54 -8.386 15.937 2.263 367 1HE2 GLN 54 1HE2 GLN 54 -7.193 16.898 1.531 368 H LEU 55 H LEU 55 -10.540 13.654 -3.309 369 HA LEU 55 HA LEU 55 -11.269 16.043 -4.770 370 1HB LEU 55 1HB LEU 55 -10.112 13.336 -5.308 371 2HB LEU 55 2HB LEU 55 -10.704 14.265 -6.685 372 HG LEU 55 HG LEU 55 -9.323 16.206 -5.437 373 1HD1 LEU 55 1HD1 LEU 55 -8.626 14.675 -3.609 374 2HD1 LEU 55 2HD1 LEU 55 -7.827 13.645 -4.797 375 3HD1 LEU 55 3HD1 LEU 55 -7.242 15.285 -4.517 376 1HD2 LEU 55 1HD2 LEU 55 -8.221 14.058 -7.274 377 2HD2 LEU 55 2HD2 LEU 55 -8.984 15.572 -7.759 378 3HD2 LEU 55 3HD2 LEU 55 -7.412 15.593 -6.958 379 H ARG 56 H ARG 56 -12.877 13.016 -4.079 380 HA ARG 56 HA ARG 56 -14.730 12.881 -6.231 381 1HB ARG 56 1HB ARG 56 -14.273 11.153 -4.485 382 2HB ARG 56 2HB ARG 56 -15.101 12.166 -3.303 383 1HG ARG 56 1HG ARG 56 -17.025 12.111 -5.155 384 2HG ARG 56 2HG ARG 56 -16.234 10.590 -5.572 385 1HD ARG 56 1HD ARG 56 -16.577 9.696 -3.371 386 2HD ARG 56 2HD ARG 56 -17.063 11.281 -2.736 387 HE ARG 56 HE ARG 56 -18.647 9.836 -4.830 388 1HH1 ARG 56 1HH1 ARG 56 -18.944 12.803 -3.788 389 2HH1 ARG 56 2HH1 ARG 56 -20.364 12.612 -2.813 390 1HH2 ARG 56 1HH2 ARG 56 -20.220 9.147 -2.811 391 2HH2 ARG 56 2HH2 ARG 56 -21.086 10.543 -2.260 392 H GLU 57 H GLU 57 -15.181 14.354 -2.986 393 HA GLU 57 HA GLU 57 -17.743 15.500 -3.523 394 1HB GLU 57 1HB GLU 57 -17.149 16.888 -1.524 395 2HB GLU 57 2HB GLU 57 -16.806 15.175 -1.286 396 1HG GLU 57 1HG GLU 57 -14.486 15.475 -1.541 397 2HG GLU 57 2HG GLU 57 -14.684 17.030 -2.347 398 H LEU 58 H LEU 58 -14.513 16.502 -4.395 399 HA LEU 58 HA LEU 58 -15.075 19.305 -4.847 400 1HB LEU 58 1HB LEU 58 -12.875 17.712 -4.694 401 2HB LEU 58 2HB LEU 58 -13.003 17.898 -6.443 402 HG LEU 58 HG LEU 58 -13.442 20.424 -5.061 403 1HD1 LEU 58 1HD1 LEU 58 -10.914 18.859 -4.528 404 2HD1 LEU 58 2HD1 LEU 58 -10.931 20.623 -4.507 405 3HD1 LEU 58 3HD1 LEU 58 -11.933 19.718 -3.372 406 1HD2 LEU 58 1HD2 LEU 58 -12.759 19.731 -7.532 407 2HD2 LEU 58 2HD2 LEU 58 -12.178 21.242 -6.831 408 3HD2 LEU 58 3HD2 LEU 58 -11.126 19.827 -6.869 409 H PHE 59 H PHE 59 -15.669 16.388 -6.665 410 HA PHE 59 HA PHE 59 -15.736 17.291 -9.328 411 1HB PHE 59 1HB PHE 59 -16.060 14.972 -8.607 412 2HB PHE 59 2HB PHE 59 -17.579 15.404 -7.822 413 HD1 PHE 59 HD1 PHE 59 -19.574 16.022 -9.155 414 HD2 PHE 59 HD2 PHE 59 -15.892 14.769 -11.030 415 HE1 PHE 59 HE1 PHE 59 -20.787 15.677 -11.306 416 HE2 PHE 59 HE2 PHE 59 -17.105 14.425 -13.182 417 HZ PHE 59 HZ PHE 59 -19.552 14.879 -13.319 418 H ILE 60 H ILE 60 -18.350 17.456 -6.881 419 HA ILE 60 HA ILE 60 -20.256 18.779 -8.578 420 HB ILE 60 HB ILE 60 -19.899 18.770 -5.562 421 1HG1 ILE 60 1HG1 ILE 60 -21.868 17.018 -6.945 422 2HG1 ILE 60 2HG1 ILE 60 -20.170 16.576 -7.123 423 1HG2 ILE 60 1HG2 ILE 60 -22.318 19.313 -7.312 424 2HG2 ILE 60 2HG2 ILE 60 -22.360 19.150 -5.556 425 3HG2 ILE 60 3HG2 ILE 60 -21.480 20.488 -6.297 426 1HD1 ILE 60 1HD1 ILE 60 -20.020 16.878 -4.561 427 2HD1 ILE 60 2HD1 ILE 60 -21.783 16.825 -4.585 428 3HD1 ILE 60 3HD1 ILE 60 -20.851 15.443 -5.162 429 H ALA 61 H ALA 61 -18.029 20.053 -6.073 430 HA ALA 61 HA ALA 61 -18.682 22.792 -6.272 431 1HB ALA 61 1HB ALA 61 -16.187 21.220 -5.632 432 2HB ALA 61 2HB ALA 61 -17.259 22.079 -4.526 433 3HB ALA 61 3HB ALA 61 -16.174 22.984 -5.582 434 H ALA 62 H ALA 62 -16.886 20.749 -8.475 435 HA ALA 62 HA ALA 62 -15.801 23.062 -9.977 436 1HB ALA 62 1HB ALA 62 -15.358 20.167 -9.706 437 2HB ALA 62 3HB ALA 62 -15.243 20.739 -11.371 438 3HB ALA 62 2HB ALA 62 -14.211 21.441 -10.125 439 H SER 63 H SER 63 -17.436 20.087 -11.104 440 HA SER 63 HA SER 63 -19.544 21.637 -12.456 441 1HB SER 63 1HB SER 63 -17.133 20.467 -13.806 442 2HB SER 63 2HB SER 63 -18.666 20.486 -14.673 443 HG SER 63 HG SER 63 -17.006 22.570 -13.896 444 H LEU 8 H LEU 8 25.788 -14.428 15.807 445 HA LEU 8 HA LEU 8 28.071 -13.797 15.479 446 1HB LEU 8 1HB LEU 8 27.555 -16.425 15.343 447 2HB LEU 8 2HB LEU 8 28.208 -16.209 13.719 448 HG LEU 8 HG LEU 8 30.123 -14.908 14.940 449 1HD1 LEU 8 1HD1 LEU 8 28.977 -16.616 17.171 450 2HD1 LEU 8 2HD1 LEU 8 30.542 -15.804 17.223 451 3HD1 LEU 8 3HD1 LEU 8 29.058 -14.854 17.145 452 1HD2 LEU 8 1HD2 LEU 8 29.755 -17.916 15.046 453 2HD2 LEU 8 2HD2 LEU 8 30.541 -16.982 13.772 454 3HD2 LEU 8 3HD2 LEU 8 31.294 -17.113 15.362 455 H GLU 9 H GLU 9 26.289 -12.578 13.479 456 HA GLU 9 HA GLU 9 26.439 -11.491 11.384 457 1HB GLU 9 1HB GLU 9 29.167 -11.810 12.526 458 2HB GLU 9 2HB GLU 9 29.091 -11.348 10.825 459 1HG GLU 9 1HG GLU 9 28.173 -9.297 11.277 460 2HG GLU 9 2HG GLU 9 27.263 -9.896 12.666 461 HA PRO 10 HA PRO 10 27.414 -15.655 9.374 462 1HB PRO 10 1HB PRO 10 24.848 -16.476 8.893 463 2HB PRO 10 2HB PRO 10 25.728 -16.880 10.381 464 1HG PRO 10 2HG PRO 10 23.661 -14.793 9.913 465 2HG PRO 10 1HG PRO 10 23.918 -15.832 11.323 466 1HD PRO 10 1HD PRO 10 24.687 -13.213 11.208 467 2HD PRO 10 2HD PRO 10 25.480 -14.432 12.231 468 H ASP 11 H ASP 11 24.660 -13.491 8.645 469 HA ASP 11 HA ASP 11 24.035 -12.407 6.648 470 1HB ASP 11 1HB ASP 11 26.965 -12.618 6.724 471 2HB ASP 11 2HB ASP 11 26.327 -12.456 5.088 472 H ASN 12 H ASN 12 26.474 -14.478 5.129 473 HA ASN 12 HA ASN 12 24.414 -16.347 4.121 474 1HB ASN 12 1HB ASN 12 24.941 -15.743 1.769 475 2HB ASN 12 2HB ASN 12 24.278 -14.369 2.654 476 2HD2 ASN 12 2HD2 ASN 12 27.310 -15.743 1.373 477 1HD2 ASN 12 1HD2 ASN 12 28.188 -14.292 1.436 478 H VAL 13 H VAL 13 27.127 -16.248 5.616 479 HA VAL 13 HA VAL 13 28.879 -17.765 3.789 480 HB VAL 13 HB VAL 13 29.036 -16.420 6.455 481 1HG1 VAL 13 1HG1 VAL 13 30.686 -18.811 5.666 482 2HG1 VAL 13 2HG1 VAL 13 31.419 -17.510 6.605 483 3HG1 VAL 13 3HG1 VAL 13 30.031 -18.388 7.249 484 1HG2 VAL 13 1HG2 VAL 13 30.722 -16.552 3.949 485 2HG2 VAL 13 2HG2 VAL 13 29.751 -15.197 4.524 486 3HG2 VAL 13 3HG2 VAL 13 31.211 -15.667 5.395 487 HA PRO 14 HA PRO 14 27.830 -21.179 6.894 488 1HB PRO 14 1HB PRO 14 25.967 -20.725 8.846 489 2HB PRO 14 2HB PRO 14 27.690 -20.359 9.046 490 1HG PRO 14 2HG PRO 14 25.424 -18.534 8.633 491 2HG PRO 14 1HG PRO 14 26.995 -18.240 9.384 492 1HD PRO 14 1HD PRO 14 26.188 -17.497 6.778 493 2HD PRO 14 2HD PRO 14 27.810 -17.378 7.481 494 H MET 15 H MET 15 24.624 -19.678 7.333 495 HA MET 15 HA MET 15 23.428 -20.783 4.964 496 1HB MET 15 1HB MET 15 24.048 -22.614 7.018 497 2HB MET 15 2HB MET 15 22.305 -22.360 7.126 498 1HG MET 15 1HG MET 15 21.918 -23.159 4.971 499 2HG MET 15 2HG MET 15 23.560 -22.805 4.435 500 1HE MET 15 1HE MET 15 23.701 -24.600 3.275 501 2HE MET 15 2HE MET 15 24.575 -26.014 3.860 502 3HE MET 15 3HE MET 15 22.817 -26.073 3.670 503 H ASP 16 H ASP 16 20.974 -20.656 5.124 504 HA ASP 16 HA ASP 16 20.169 -18.592 7.152 505 1HB ASP 16 1HB ASP 16 19.499 -19.022 4.232 506 2HB ASP 16 2HB ASP 16 18.544 -17.953 5.261 507 H MET 17 H MET 17 19.951 -21.505 7.503 508 HA MET 17 HA MET 17 17.434 -22.613 6.877 509 1HB MET 17 2HB MET 17 17.887 -24.025 8.863 510 2HB MET 17 1HB MET 17 19.351 -23.789 7.908 511 1HG MET 17 1HG MET 17 19.727 -21.729 9.490 512 2HG MET 17 2HG MET 17 18.609 -22.579 10.557 513 1HE MET 17 1HE MET 17 19.712 -22.960 12.324 514 2HE MET 17 2HE MET 17 19.522 -24.713 12.180 515 3HE MET 17 3HE MET 17 21.079 -24.027 12.633 516 H SER 18 H SER 18 18.303 -20.206 9.297 517 HA SER 18 HA SER 18 16.962 -18.923 10.756 518 1HB SER 18 1HB SER 18 14.761 -19.814 8.873 519 2HB SER 18 2HB SER 18 14.814 -18.330 9.821 520 HG SER 18 HG SER 18 16.078 -18.998 7.450 521 HA PRO 19 HA PRO 19 14.896 -21.741 13.432 522 1HB PRO 19 1HB PRO 19 13.331 -20.062 14.909 523 2HB PRO 19 2HB PRO 19 15.097 -20.118 15.049 524 1HG PRO 19 1HG PRO 19 13.389 -18.081 13.833 525 2HG PRO 19 2HG PRO 19 15.045 -17.953 14.428 526 1HD PRO 19 1HD PRO 19 14.171 -18.198 11.721 527 2HD PRO 19 2HD PRO 19 15.838 -18.125 12.329 528 H LYS 20 H LYS 20 13.385 -20.924 10.810 529 HA LYS 20 HA LYS 20 11.362 -21.574 9.796 530 1HB LYS 20 1HB LYS 20 11.983 -23.594 11.261 531 2HB LYS 20 2HB LYS 20 10.781 -22.990 12.403 532 1HG LYS 20 1HG LYS 20 9.942 -23.189 9.552 533 2HG LYS 20 2HG LYS 20 10.147 -24.706 10.431 534 1HD LYS 20 1HD LYS 20 8.774 -23.350 12.294 535 2HD LYS 20 2HD LYS 20 8.166 -22.521 10.861 536 1HE LYS 20 1HE LYS 20 7.286 -24.530 9.934 537 2HE LYS 20 2HE LYS 20 8.225 -25.544 11.047 538 1HZ LYS 20 1HZ LYS 20 6.250 -23.540 11.981 539 2HZ LYS 20 2HZ LYS 20 5.836 -25.162 11.692 540 3HZ LYS 20 3HZ LYS 20 6.984 -24.775 12.882 541 H ALA 21 H ALA 21 10.385 -21.290 13.241 542 HA ALA 21 HA ALA 21 7.869 -20.173 12.921 543 1HB ALA 21 1HB ALA 21 10.075 -19.802 14.939 544 2HB ALA 21 3HB ALA 21 8.530 -18.979 15.147 545 3HB ALA 21 2HB ALA 21 8.589 -20.741 15.089 546 H LEU 22 H LEU 22 10.938 -18.340 13.074 547 HA LEU 22 HA LEU 22 9.602 -15.784 12.538 548 1HB LEU 22 1HB LEU 22 12.442 -16.788 12.802 549 2HB LEU 22 2HB LEU 22 12.101 -15.121 12.337 550 HG LEU 22 HG LEU 22 10.648 -14.940 14.401 551 1HD1 LEU 22 1HD1 LEU 22 11.719 -17.720 14.691 552 2HD1 LEU 22 2HD1 LEU 22 11.483 -16.757 16.150 553 3HD1 LEU 22 3HD1 LEU 22 10.119 -17.092 15.081 554 1HD2 LEU 22 1HD2 LEU 22 13.618 -15.412 14.467 555 2HD2 LEU 22 2HD2 LEU 22 12.728 -13.901 14.659 556 3HD2 LEU 22 3HD2 LEU 22 12.758 -15.080 15.971 557 H GLN 23 H GLN 23 11.678 -18.061 10.780 558 HA GLN 23 HA GLN 23 12.051 -16.687 8.355 559 1HB GLN 23 1HB GLN 23 12.985 -18.908 9.115 560 2HB GLN 23 2HB GLN 23 11.433 -19.636 8.702 561 1HG GLN 23 1HG GLN 23 11.773 -18.540 6.377 562 2HG GLN 23 2HG GLN 23 13.458 -18.367 6.864 563 2HE2 GLN 23 2HE2 GLN 23 11.341 -20.478 5.319 564 1HE2 GLN 23 1HE2 GLN 23 12.216 -21.920 5.523 565 H GLN 24 H GLN 24 9.288 -18.755 9.301 566 HA GLN 24 HA GLN 24 7.851 -18.412 6.814 567 1HB GLN 24 1HB GLN 24 7.614 -19.749 9.368 568 2HB GLN 24 2HB GLN 24 6.076 -18.998 8.938 569 1HG GLN 24 1HG GLN 24 7.373 -20.325 6.669 570 2HG GLN 24 2HG GLN 24 6.984 -21.432 7.986 571 2HE2 GLN 24 2HE2 GLN 24 5.624 -19.495 5.424 572 1HE2 GLN 24 1HE2 GLN 24 3.998 -19.876 5.726 573 H LYS 25 H LYS 25 7.512 -16.908 10.048 574 HA LYS 25 HA LYS 25 5.323 -15.193 9.429 575 1HB LYS 25 1HB LYS 25 7.415 -15.525 11.472 576 2HB LYS 25 2HB LYS 25 6.858 -13.860 11.304 577 1HG LYS 25 1HG LYS 25 5.470 -15.023 12.947 578 2HG LYS 25 2HG LYS 25 4.507 -14.655 11.516 579 1HD LYS 25 1HD LYS 25 5.262 -17.032 10.715 580 2HD LYS 25 2HD LYS 25 5.599 -17.305 12.426 581 1HE LYS 25 1HE LYS 25 3.210 -16.443 12.870 582 2HE LYS 25 2HE LYS 25 2.942 -16.662 11.129 583 1HZ LYS 25 1HZ LYS 25 3.859 -18.936 11.381 584 2HZ LYS 25 2HZ LYS 25 3.872 -18.714 13.066 585 3HZ LYS 25 3HZ LYS 25 2.401 -18.706 12.222 586 H ILE 26 H ILE 26 8.845 -14.517 9.357 587 HA ILE 26 HA ILE 26 8.755 -11.836 8.489 588 HB ILE 26 HB ILE 26 10.677 -14.096 7.843 589 1HG1 ILE 26 1HG1 ILE 26 10.958 -11.906 9.910 590 2HG1 ILE 26 2HG1 ILE 26 10.177 -13.443 10.283 591 1HG2 ILE 26 1HG2 ILE 26 10.583 -11.391 6.878 592 2HG2 ILE 26 2HG2 ILE 26 11.968 -11.564 7.956 593 3HG2 ILE 26 3HG2 ILE 26 11.799 -12.628 6.559 594 1HD1 ILE 26 1HD1 ILE 26 12.655 -13.931 8.892 595 2HD1 ILE 26 2HD1 ILE 26 12.951 -12.887 10.282 596 3HD1 ILE 26 3HD1 ILE 26 12.174 -14.454 10.506 597 H HIS 27 H HIS 27 9.141 -14.733 6.401 598 HA HIS 27 HA HIS 27 8.790 -13.301 3.931 599 1HB HIS 27 1HB HIS 27 9.686 -15.730 4.667 600 2HB HIS 27 2HB HIS 27 8.050 -16.180 4.183 601 HD1 HIS 27 HD1 HIS 27 7.596 -16.358 1.714 602 HD2 HIS 27 HD2 HIS 27 11.167 -14.358 2.508 603 HE1 HIS 27 HE1 HIS 27 8.723 -15.987 -0.524 604 H GLU 28 H GLU 28 6.535 -14.493 6.296 605 HA GLU 28 HA GLU 28 4.245 -14.690 4.494 606 1HB GLU 28 1HB GLU 28 4.847 -14.868 7.417 607 2HB GLU 28 2HB GLU 28 3.172 -14.584 6.946 608 1HG GLU 28 1HG GLU 28 4.623 -16.704 5.450 609 2HG GLU 28 2HG GLU 28 4.224 -17.060 7.130 610 H LEU 29 H LEU 29 5.303 -12.341 6.987 611 HA LEU 29 HA LEU 29 3.189 -10.496 6.818 612 1HB LEU 29 1HB LEU 29 6.171 -10.201 7.255 613 2HB LEU 29 2HB LEU 29 5.044 -8.861 7.479 614 HG LEU 29 HG LEU 29 4.371 -11.444 8.809 615 1HD1 LEU 29 1HD1 LEU 29 6.931 -10.671 9.098 616 2HD1 LEU 29 2HD1 LEU 29 6.190 -9.608 10.294 617 3HD1 LEU 29 3HD1 LEU 29 6.000 -11.355 10.431 618 1HD2 LEU 29 1HD2 LEU 29 4.118 -8.488 9.404 619 2HD2 LEU 29 2HD2 LEU 29 2.826 -9.653 9.114 620 3HD2 LEU 29 3HD2 LEU 29 3.752 -9.720 10.612 621 H GLU 30 H GLU 30 6.022 -10.851 4.698 622 HA GLU 30 HA GLU 30 5.616 -8.467 3.150 623 1HB GLU 30 1HB GLU 30 7.544 -10.321 3.386 624 2HB GLU 30 2HB GLU 30 6.755 -10.950 1.939 625 1HG GLU 30 1HG GLU 30 7.134 -8.039 1.878 626 2HG GLU 30 2HG GLU 30 8.650 -8.940 1.966 627 H GLY 31 H GLY 31 4.574 -11.851 2.628 628 1HA GLY 31 2HA GLY 31 2.903 -12.728 1.231 629 2HA GLY 31 1HA GLY 31 3.270 -11.400 0.128 630 H LEU 32 H LEU 32 2.213 -10.938 3.460 631 HA LEU 32 HA LEU 32 -0.591 -10.494 2.769 632 1HB LEU 32 1HB LEU 32 0.524 -11.286 4.976 633 2HB LEU 32 2HB LEU 32 0.854 -9.575 5.257 634 HG LEU 32 HG LEU 32 -1.703 -9.296 4.670 635 1HD1 LEU 32 1HD1 LEU 32 -1.485 -12.184 5.570 636 2HD1 LEU 32 2HD1 LEU 32 -2.993 -11.271 5.524 637 3HD1 LEU 32 3HD1 LEU 32 -2.118 -11.604 4.029 638 1HD2 LEU 32 1HD2 LEU 32 -0.340 -10.107 7.202 639 2HD2 LEU 32 2HD2 LEU 32 -1.179 -8.606 6.812 640 3HD2 LEU 32 3HD2 LEU 32 -2.103 -10.053 7.210 641 H MET 33 H MET 33 2.303 -8.543 2.913 642 HA MET 33 HA MET 33 1.164 -5.956 3.301 643 1HB MET 33 1HB MET 33 3.658 -7.161 2.743 644 2HB MET 33 2HB MET 33 3.400 -5.978 1.461 645 1HG MET 33 1HG MET 33 3.676 -4.234 2.874 646 2HG MET 33 2HG MET 33 2.636 -4.961 4.098 647 1HE MET 33 1HE MET 33 5.904 -4.854 2.338 648 2HE MET 33 2HE MET 33 6.160 -3.686 3.632 649 3HE MET 33 3HE MET 33 7.132 -5.162 3.563 650 H MET 34 H MET 34 2.164 -7.466 0.199 651 HA MET 34 HA MET 34 0.931 -5.505 -1.477 652 1HB MET 34 1HB MET 34 2.691 -7.401 -1.893 653 2HB MET 34 2HB MET 34 1.276 -8.404 -2.216 654 1HG MET 34 1HG MET 34 0.777 -7.312 -4.163 655 2HG MET 34 2HG MET 34 1.306 -5.749 -3.540 656 1HE MET 34 1HE MET 34 3.432 -4.849 -3.437 657 2HE MET 34 2HE MET 34 4.306 -6.120 -2.569 658 3HE MET 34 3HE MET 34 4.948 -5.476 -4.078 659 H GLN 35 H GLN 35 -0.314 -8.459 0.018 660 HA GLN 35 HA GLN 35 -2.659 -8.906 -1.462 661 1HB GLN 35 1HB GLN 35 -1.845 -10.357 0.317 662 2HB GLN 35 2HB GLN 35 -2.099 -9.090 1.516 663 1HG GLN 35 2HG GLN 35 -4.162 -9.944 1.833 664 2HG GLN 35 1HG GLN 35 -4.572 -9.336 0.229 665 2HE2 GLN 35 2HE2 GLN 35 -3.181 -12.220 1.867 666 1HE2 GLN 35 1HE2 GLN 35 -3.692 -13.325 0.684 667 H HIS 36 H HIS 36 -2.880 -7.328 1.727 668 HA HIS 36 HA HIS 36 -5.348 -6.053 1.320 669 1HB HIS 36 1HB HIS 36 -2.907 -5.443 2.989 670 2HB HIS 36 2HB HIS 36 -4.376 -4.476 3.125 671 HD1 HIS 36 HD1 HIS 36 -6.463 -6.754 2.800 672 HD2 HIS 36 HD2 HIS 36 -3.143 -6.976 5.312 673 HE1 HIS 36 HE1 HIS 36 -7.012 -8.490 4.562 674 H ALA 37 H ALA 37 -2.086 -4.612 0.870 675 HA ALA 37 HA ALA 37 -2.767 -2.044 0.003 676 1HB ALA 37 1HB ALA 37 -0.493 -2.378 0.157 677 2HB ALA 37 3HB ALA 37 -0.589 -4.017 -0.490 678 3HB ALA 37 2HB ALA 37 -0.654 -2.632 -1.581 679 H GLN 38 H GLN 38 -2.615 -5.033 -1.965 680 HA GLN 38 HA GLN 38 -3.237 -3.884 -4.495 681 1HB GLN 38 1HB GLN 38 -3.350 -6.533 -3.148 682 2HB GLN 38 2HB GLN 38 -4.348 -6.366 -4.593 683 1HG GLN 38 1HG GLN 38 -2.283 -5.415 -5.751 684 2HG GLN 38 2HG GLN 38 -1.360 -5.960 -4.351 685 2HE2 GLN 38 2HE2 GLN 38 -0.270 -7.446 -5.989 686 1HE2 GLN 38 1HE2 GLN 38 -1.033 -8.912 -6.375 687 H ASN 39 H ASN 39 -5.272 -4.843 -1.772 688 HA ASN 39 HA ASN 39 -7.761 -4.235 -3.265 689 1HB ASN 39 1HB ASN 39 -6.901 -5.659 -0.835 690 2HB ASN 39 2HB ASN 39 -8.394 -4.745 -0.622 691 2HD2 ASN 39 2HD2 ASN 39 -7.744 -7.784 -1.055 692 1HD2 ASN 39 1HD2 ASN 39 -8.844 -8.239 -2.265 693 H LEU 40 H LEU 40 -5.540 -2.245 -2.239 694 HA LEU 40 HA LEU 40 -5.494 -0.063 -1.391 695 1HB LEU 40 1HB LEU 40 -8.308 -0.536 -2.338 696 2HB LEU 40 2HB LEU 40 -7.899 0.995 -1.564 697 HG LEU 40 HG LEU 40 -5.862 0.965 -3.227 698 1HD1 LEU 40 1HD1 LEU 40 -7.608 -1.227 -4.167 699 2HD1 LEU 40 2HD1 LEU 40 -7.107 -0.091 -5.419 700 3HD1 LEU 40 3HD1 LEU 40 -5.893 -0.946 -4.467 701 1HD2 LEU 40 1HD2 LEU 40 -7.848 2.546 -3.177 702 2HD2 LEU 40 2HD2 LEU 40 -7.154 2.284 -4.777 703 3HD2 LEU 40 3HD2 LEU 40 -8.645 1.464 -4.318 704 H GLU 41 H GLU 41 -6.120 -2.404 0.465 705 HA GLU 41 HA GLU 41 -7.949 -1.449 2.499 706 1HB GLU 41 1HB GLU 41 -5.864 -3.564 2.147 707 2HB GLU 41 2HB GLU 41 -6.346 -3.174 3.799 708 1HG GLU 41 1HG GLU 41 -8.362 -3.759 1.622 709 2HG GLU 41 2HG GLU 41 -7.690 -5.022 2.653 710 H PHE 42 H PHE 42 -4.408 -1.408 2.139 711 HA PHE 42 HA PHE 42 -2.755 -0.151 3.251 712 1HB PHE 42 1HB PHE 42 -5.135 1.616 2.784 713 2HB PHE 42 2HB PHE 42 -3.741 2.268 3.645 714 HD1 PHE 42 HD1 PHE 42 -1.447 0.988 2.384 715 HD2 PHE 42 HD2 PHE 42 -5.086 2.465 0.588 716 HE1 PHE 42 HE1 PHE 42 -0.253 1.302 0.219 717 HE2 PHE 42 HE2 PHE 42 -3.889 2.779 -1.577 718 HZ PHE 42 HZ PHE 42 -1.471 2.198 -1.756 719 H GLU 43 H GLU 43 -2.548 1.462 5.241 720 HA GLU 43 HA GLU 43 -2.604 1.783 7.555 721 1HB GLU 43 1HB GLU 43 -4.991 2.213 7.214 722 2HB GLU 43 2HB GLU 43 -5.329 0.486 7.177 723 1HG GLU 43 1HG GLU 43 -4.311 0.354 9.502 724 2HG GLU 43 2HG GLU 43 -4.359 2.119 9.523 725 H GLU 44 H GLU 44 -4.246 -1.283 6.936 726 HA GLU 44 HA GLU 44 -2.655 -2.668 8.984 727 1HB GLU 44 2HB GLU 44 -4.124 -4.542 8.400 728 2HB GLU 44 1HB GLU 44 -5.087 -3.073 8.548 729 1HG GLU 44 1HG GLU 44 -5.128 -2.795 6.131 730 2HG GLU 44 2HG GLU 44 -4.027 -4.156 5.921 731 H ALA 45 H ALA 45 -2.772 -2.384 5.465 732 HA ALA 45 HA ALA 45 -0.903 -4.587 4.984 733 1HB ALA 45 1HB ALA 45 -2.821 -3.385 3.552 734 2HB ALA 45 2HB ALA 45 -1.447 -4.171 2.777 735 3HB ALA 45 3HB ALA 45 -1.450 -2.422 3.002 736 H ALA 46 H ALA 46 -0.711 -1.014 4.822 737 HA ALA 46 HA ALA 46 2.103 -1.010 4.119 738 1HB ALA 46 1HB ALA 46 1.837 1.376 4.284 739 2HB ALA 46 3HB ALA 46 0.336 0.731 3.620 740 3HB ALA 46 2HB ALA 46 0.419 1.201 5.320 741 H GLN 47 H GLN 47 0.385 -1.246 7.135 742 HA GLN 47 HA GLN 47 2.474 -0.149 8.830 743 1HB GLN 47 1HB GLN 47 -0.068 -1.681 9.084 744 2HB GLN 47 2HB GLN 47 1.047 -1.771 10.447 745 1HG GLN 47 1HG GLN 47 0.290 0.870 9.196 746 2HG GLN 47 2HG GLN 47 -0.676 0.144 10.481 747 2HE2 GLN 47 2HE2 GLN 47 0.804 2.635 10.793 748 1HE2 GLN 47 1HE2 GLN 47 2.002 2.368 11.967 749 H ILE 48 H ILE 48 2.004 -3.193 7.219 750 HA ILE 48 HA ILE 48 3.561 -4.862 8.987 751 HB ILE 48 HB ILE 48 2.950 -5.058 6.020 752 1HG1 ILE 48 1HG1 ILE 48 0.923 -4.822 7.397 753 2HG1 ILE 48 2HG1 ILE 48 1.053 -6.468 6.775 754 1HG2 ILE 48 1HG2 ILE 48 4.749 -6.569 7.349 755 2HG2 ILE 48 2HG2 ILE 48 3.279 -7.457 7.748 756 3HG2 ILE 48 3HG2 ILE 48 3.732 -7.214 6.062 757 1HD1 ILE 48 1HD1 ILE 48 2.476 -6.461 9.211 758 2HD1 ILE 48 2HD1 ILE 48 0.989 -5.566 9.523 759 3HD1 ILE 48 3HD1 ILE 48 0.912 -7.212 8.895 760 H ARG 49 H ARG 49 4.394 -2.689 6.324 761 HA ARG 49 HA ARG 49 6.962 -3.610 5.634 762 1HB ARG 49 2HB ARG 49 7.334 -1.290 4.941 763 2HB ARG 49 1HB ARG 49 5.664 -1.740 4.597 764 1HG ARG 49 2HG ARG 49 5.226 0.232 5.673 765 2HG ARG 49 1HG ARG 49 5.357 -0.789 7.105 766 1HD ARG 49 1HD ARG 49 7.931 -0.213 6.923 767 2HD ARG 49 2HD ARG 49 7.336 1.187 6.008 768 HE ARG 49 HE ARG 49 5.819 0.735 8.452 769 1HH1 ARG 49 1HH1 ARG 49 9.068 1.396 7.905 770 2HH1 ARG 49 2HH1 ARG 49 9.087 2.901 8.762 771 1HH2 ARG 49 1HH2 ARG 49 5.649 2.995 9.205 772 2HH2 ARG 49 2HH2 ARG 49 7.151 3.806 9.499 773 H ASP 50 H ASP 50 5.893 -1.972 8.551 774 HA ASP 50 HA ASP 50 8.583 -1.307 9.487 775 1HB ASP 50 1HB ASP 50 6.023 -0.488 10.016 776 2HB ASP 50 2HB ASP 50 6.334 -1.539 11.398 777 H GLN 51 H GLN 51 6.224 -3.908 10.022 778 HA GLN 51 HA GLN 51 7.640 -5.211 12.169 779 1HB GLN 51 1HB GLN 51 5.703 -6.260 10.078 780 2HB GLN 51 2HB GLN 51 6.097 -7.063 11.599 781 1HG GLN 51 1HG GLN 51 5.209 -5.158 12.863 782 2HG GLN 51 2HG GLN 51 4.863 -4.302 11.359 783 2HE2 GLN 51 2HE2 GLN 51 4.340 -7.783 12.080 784 1HE2 GLN 51 1HE2 GLN 51 2.661 -7.738 11.839 785 H LEU 52 H LEU 52 7.789 -5.448 8.635 786 HA LEU 52 HA LEU 52 9.266 -7.828 8.316 787 1HB LEU 52 1HB LEU 52 8.637 -5.391 6.859 788 2HB LEU 52 2HB LEU 52 10.268 -5.944 6.478 789 HG LEU 52 HG LEU 52 7.739 -7.612 6.321 790 1HD1 LEU 52 1HD1 LEU 52 8.722 -5.754 4.521 791 2HD1 LEU 52 2HD1 LEU 52 9.409 -7.269 3.933 792 3HD1 LEU 52 3HD1 LEU 52 7.663 -7.105 4.115 793 1HD2 LEU 52 1HD2 LEU 52 10.480 -8.370 6.652 794 2HD2 LEU 52 2HD2 LEU 52 9.087 -9.418 6.382 795 3HD2 LEU 52 3HD2 LEU 52 9.993 -8.785 5.008 796 H HIS 53 H HIS 53 10.552 -4.501 8.719 797 HA HIS 53 HA HIS 53 13.310 -5.350 8.914 798 1HB HIS 53 1HB HIS 53 11.740 -2.854 9.590 799 2HB HIS 53 2HB HIS 53 13.483 -2.948 9.839 800 HD1 HIS 53 HD1 HIS 53 10.901 -2.583 7.201 801 HD2 HIS 53 HD2 HIS 53 15.005 -3.296 7.387 802 HE1 HIS 53 HE1 HIS 53 11.801 -2.206 4.863 803 H GLN 54 H GLN 54 10.774 -4.609 11.300 804 HA GLN 54 HA GLN 54 12.376 -4.704 13.656 805 1HB GLN 54 1HB GLN 54 9.803 -4.166 13.042 806 2HB GLN 54 2HB GLN 54 9.605 -5.799 13.678 807 1HG GLN 54 1HG GLN 54 11.105 -4.945 15.642 808 2HG GLN 54 2HG GLN 54 10.633 -3.342 15.076 809 2HE2 GLN 54 2HE2 GLN 54 8.612 -2.581 15.763 810 1HE2 GLN 54 1HE2 GLN 54 7.423 -3.542 16.501 811 H LEU 55 H LEU 55 10.614 -7.291 11.930 812 HA LEU 55 HA LEU 55 11.357 -9.388 13.783 813 1HB LEU 55 1HB LEU 55 10.141 -9.108 11.062 814 2HB LEU 55 2HB LEU 55 10.721 -10.703 11.542 815 HG LEU 55 HG LEU 55 9.401 -10.047 13.791 816 1HD1 LEU 55 1HD1 LEU 55 8.713 -7.845 12.864 817 2HD1 LEU 55 2HD1 LEU 55 7.872 -8.677 11.556 818 3HD1 LEU 55 3HD1 LEU 55 7.323 -8.872 13.220 819 1HD2 LEU 55 1HD2 LEU 55 8.225 -11.174 11.231 820 2HD2 LEU 55 2HD2 LEU 55 9.004 -12.082 12.526 821 3HD2 LEU 55 3HD2 LEU 55 7.450 -11.299 12.810 822 H ARG 56 H ARG 56 12.924 -7.879 11.044 823 HA ARG 56 HA ARG 56 14.731 -9.927 10.256 824 1HB ARG 56 1HB ARG 56 14.280 -7.753 9.113 825 2HB ARG 56 2HB ARG 56 15.148 -6.924 10.405 826 1HG ARG 56 1HG ARG 56 17.034 -8.708 9.778 827 2HG ARG 56 2HG ARG 56 16.209 -8.662 8.219 828 1HD ARG 56 1HD ARG 56 16.580 -6.302 7.985 829 2HD ARG 56 2HD ARG 56 17.106 -6.154 9.674 830 HE ARG 56 HE ARG 56 18.622 -7.768 7.655 831 1HH1 ARG 56 1HH1 ARG 56 18.992 -7.626 10.788 832 2HH1 ARG 56 2HH1 ARG 56 20.427 -6.657 10.853 833 1HH2 ARG 56 1HH2 ARG 56 20.222 -5.658 7.540 834 2HH2 ARG 56 2HH2 ARG 56 21.123 -5.543 9.015 835 H GLU 57 H GLU 57 15.274 -7.250 12.588 836 HA GLU 57 HA GLU 57 17.845 -8.130 13.474 837 1HB GLU 57 1HB GLU 57 17.315 -6.606 15.390 838 2HB GLU 57 2HB GLU 57 16.946 -5.880 13.825 839 1HG GLU 57 1HG GLU 57 14.627 -6.177 14.091 840 2HG GLU 57 2HG GLU 57 14.837 -7.401 15.345 841 H LEU 58 H LEU 58 14.614 -9.206 14.258 842 HA LEU 58 HA LEU 58 15.217 -10.453 16.798 843 1HB LEU 58 1HB LEU 58 12.993 -9.817 15.366 844 2HB LEU 58 2HB LEU 58 13.089 -11.548 15.040 845 HG LEU 58 HG LEU 58 13.600 -10.954 17.846 846 1HD1 LEU 58 1HD1 LEU 58 11.056 -9.960 16.556 847 2HD1 LEU 58 2HD1 LEU 58 11.103 -10.448 18.251 848 3HD1 LEU 58 3HD1 LEU 58 12.112 -9.114 17.688 849 1HD2 LEU 58 1HD2 LEU 58 12.856 -13.113 16.490 850 2HD2 LEU 58 2HD2 LEU 58 12.317 -12.868 18.150 851 3HD2 LEU 58 3HD2 LEU 58 11.240 -12.485 16.808 852 H PHE 59 H PHE 59 15.723 -11.364 13.469 853 HA PHE 59 HA PHE 59 15.753 -14.174 13.569 854 1HB PHE 59 1HB PHE 59 16.050 -12.822 11.548 855 2HB PHE 59 2HB PHE 59 17.592 -12.217 12.153 856 HD1 PHE 59 HD1 PHE 59 19.570 -13.699 12.315 857 HD2 PHE 59 HD2 PHE 59 15.829 -15.083 10.663 858 HE1 PHE 59 HE1 PHE 59 20.733 -15.677 11.341 859 HE2 PHE 59 HE2 PHE 59 16.992 -17.061 9.688 860 HZ PHE 59 HZ PHE 59 19.444 -17.358 10.027 861 H ILE 60 H ILE 60 18.417 -11.917 14.370 862 HA ILE 60 HA ILE 60 20.312 -13.949 15.107 863 HB ILE 60 HB ILE 60 20.016 -11.051 15.971 864 1HG1 ILE 60 1HG1 ILE 60 21.925 -11.901 13.854 865 2HG1 ILE 60 2HG1 ILE 60 20.215 -11.921 13.417 866 1HG2 ILE 60 1HG2 ILE 60 22.408 -12.918 15.935 867 2HG2 ILE 60 2HG2 ILE 60 22.482 -11.190 16.283 868 3HG2 ILE 60 3HG2 ILE 60 21.613 -12.272 17.371 869 1HD1 ILE 60 1HD1 ILE 60 20.124 -9.551 14.446 870 2HD1 ILE 60 2HD1 ILE 60 21.884 -9.585 14.347 871 3HD1 ILE 60 3HD1 ILE 60 20.916 -9.726 12.879 872 H ALA 61 H ALA 61 18.158 -11.884 17.096 873 HA ALA 61 HA ALA 61 18.854 -12.870 19.648 874 1HB ALA 61 1HB ALA 61 17.455 -10.973 19.500 875 2HB ALA 61 3HB ALA 61 16.347 -11.770 18.382 876 3HB ALA 61 2HB ALA 61 16.364 -12.230 20.085 877 H ALA 62 H ALA 62 16.979 -14.366 17.099 878 HA ALA 62 HA ALA 62 15.906 -16.455 18.908 879 1HB ALA 62 1HB ALA 62 15.280 -17.114 16.296 880 2HB ALA 62 2HB ALA 62 14.285 -16.109 17.348 881 3HB ALA 62 3HB ALA 62 15.416 -15.358 16.224 882 H SER 63 H SER 63 17.465 -16.702 15.698 883 HA SER 63 HA SER 63 19.573 -18.473 16.747 884 1HB SER 63 1HB SER 63 17.115 -19.396 15.294 885 2HB SER 63 2HB SER 63 18.630 -20.252 15.028 886 HG SER 63 HG SER 63 17.024 -20.083 17.286 No H/Q in entry = 886 Start of MODEL 10 1 H LEU 8 H LEU 8 -19.873 24.475 -33.719 2 HA LEU 8 HA LEU 8 -21.872 25.809 -32.538 3 1HB LEU 8 1HB LEU 8 -21.699 24.506 -34.821 4 2HB LEU 8 2HB LEU 8 -22.643 23.281 -33.973 5 HG LEU 8 HG LEU 8 -23.469 26.187 -34.012 6 1HD1 LEU 8 1HD1 LEU 8 -24.022 23.991 -36.012 7 2HD1 LEU 8 2HD1 LEU 8 -25.117 25.357 -35.806 8 3HD1 LEU 8 3HD1 LEU 8 -23.453 25.631 -36.322 9 1HD2 LEU 8 1HD2 LEU 8 -24.661 23.558 -33.200 10 2HD2 LEU 8 2HD2 LEU 8 -24.722 25.114 -32.373 11 3HD2 LEU 8 3HD2 LEU 8 -25.737 24.827 -33.786 12 H GLU 9 H GLU 9 -21.960 25.425 -30.236 13 HA GLU 9 HA GLU 9 -22.766 24.388 -28.270 14 1HB GLU 9 1HB GLU 9 -24.743 24.590 -30.007 15 2HB GLU 9 2HB GLU 9 -24.606 22.832 -30.068 16 1HG GLU 9 1HG GLU 9 -25.443 22.567 -27.968 17 2HG GLU 9 2HG GLU 9 -24.588 23.980 -27.346 18 HA PRO 10 HA PRO 10 -20.434 20.499 -29.309 19 1HB PRO 10 1HB PRO 10 -18.458 20.833 -27.447 20 2HB PRO 10 2HB PRO 10 -18.363 21.505 -29.088 21 1HG PRO 10 2HG PRO 10 -19.067 22.849 -26.530 22 2HG PRO 10 1HG PRO 10 -18.126 23.454 -27.902 23 1HD PRO 10 1HD PRO 10 -20.733 24.126 -27.436 24 2HD PRO 10 2HD PRO 10 -19.986 24.123 -29.049 25 H ASP 11 H ASP 11 -20.737 21.908 -26.025 26 HA ASP 11 HA ASP 11 -21.623 20.999 -24.036 27 1HB ASP 11 1HB ASP 11 -23.156 20.029 -26.278 28 2HB ASP 11 2HB ASP 11 -23.067 18.770 -25.046 29 H ASN 12 H ASN 12 -21.502 17.950 -25.860 30 HA ASN 12 HA ASN 12 -19.105 17.098 -24.306 31 1HB ASN 12 1HB ASN 12 -20.375 15.040 -23.632 32 2HB ASN 12 2HB ASN 12 -21.057 16.518 -22.951 33 2HD2 ASN 12 2HD2 ASN 12 -21.538 14.062 -25.493 34 1HD2 ASN 12 1HD2 ASN 12 -23.172 14.428 -25.768 35 H VAL 13 H VAL 13 -19.893 17.630 -27.211 36 HA VAL 13 HA VAL 13 -20.173 15.259 -28.706 37 HB VAL 13 HB VAL 13 -19.098 18.017 -29.084 38 1HG1 VAL 13 1HG1 VAL 13 -18.435 15.709 -30.904 39 2HG1 VAL 13 2HG1 VAL 13 -18.700 17.318 -31.575 40 3HG1 VAL 13 3HG1 VAL 13 -17.408 17.055 -30.402 41 1HG2 VAL 13 1HG2 VAL 13 -21.272 16.259 -30.148 42 2HG2 VAL 13 2HG2 VAL 13 -21.370 17.896 -29.502 43 3HG2 VAL 13 3HG2 VAL 13 -20.736 17.626 -31.124 44 HA PRO 14 HA PRO 14 -15.462 14.704 -28.640 45 1HB PRO 14 1HB PRO 14 -13.933 16.301 -27.031 46 2HB PRO 14 2HB PRO 14 -14.362 16.733 -28.697 47 1HG PRO 14 2HG PRO 14 -15.418 17.780 -26.151 48 2HG PRO 14 1HG PRO 14 -15.301 18.553 -27.735 49 1HD PRO 14 1HD PRO 14 -17.613 17.453 -26.586 50 2HD PRO 14 2HD PRO 14 -17.402 17.959 -28.269 51 H MET 15 H MET 15 -15.144 16.047 -25.380 52 HA MET 15 HA MET 15 -16.164 13.754 -23.970 53 1HB MET 15 1HB MET 15 -14.156 12.846 -25.223 54 2HB MET 15 2HB MET 15 -13.150 13.927 -24.259 55 1HG MET 15 2HG MET 15 -13.047 12.115 -22.864 56 2HG MET 15 1HG MET 15 -14.582 12.760 -22.284 57 1HE MET 15 1HE MET 15 -13.286 10.138 -22.048 58 2HE MET 15 2HE MET 15 -14.339 8.802 -22.535 59 3HE MET 15 3HE MET 15 -13.036 9.334 -23.595 60 H ASP 16 H ASP 16 -16.962 15.634 -22.744 61 HA ASP 16 HA ASP 16 -15.340 16.282 -20.447 62 1HB ASP 16 1HB ASP 16 -14.155 17.620 -22.125 63 2HB ASP 16 2HB ASP 16 -15.670 18.372 -22.625 64 H MET 17 H MET 17 -17.675 15.394 -19.990 65 HA MET 17 HA MET 17 -20.016 16.924 -20.402 66 1HB MET 17 1HB MET 17 -20.817 15.666 -18.390 67 2HB MET 17 2HB MET 17 -19.984 14.634 -19.553 68 1HG MET 17 1HG MET 17 -17.879 15.388 -18.030 69 2HG MET 17 2HG MET 17 -19.160 15.456 -16.821 70 1HE MET 17 1HE MET 17 -17.135 13.662 -19.268 71 2HE MET 17 2HE MET 17 -17.421 11.935 -19.078 72 3HE MET 17 3HE MET 17 -18.562 12.914 -19.995 73 H SER 18 H SER 18 -17.465 17.283 -17.956 74 HA SER 18 HA SER 18 -18.106 20.046 -17.483 75 1HB SER 18 1HB SER 18 -19.525 17.971 -15.965 76 2HB SER 18 2HB SER 18 -18.752 19.178 -14.940 77 HG SER 18 HG SER 18 -20.156 20.594 -15.602 78 HA PRO 19 HA PRO 19 -14.880 18.725 -14.251 79 1HB PRO 19 1HB PRO 19 -14.425 16.074 -13.809 80 2HB PRO 19 2HB PRO 19 -15.613 17.026 -12.903 81 1HG PRO 19 2HG PRO 19 -16.017 15.107 -15.125 82 2HG PRO 19 1HG PRO 19 -17.024 15.443 -13.708 83 1HD PRO 19 1HD PRO 19 -17.551 16.380 -16.238 84 2HD PRO 19 2HD PRO 19 -18.136 17.136 -14.741 85 H LYS 20 H LYS 20 -14.265 15.627 -15.754 86 HA LYS 20 HA LYS 20 -12.653 14.949 -17.349 87 1HB LYS 20 1HB LYS 20 -13.772 16.996 -18.537 88 2HB LYS 20 2HB LYS 20 -12.307 17.863 -18.071 89 1HG LYS 20 1HG LYS 20 -12.191 15.209 -19.509 90 2HG LYS 20 2HG LYS 20 -12.296 16.738 -20.384 91 1HD LYS 20 1HD LYS 20 -10.304 17.150 -18.452 92 2HD LYS 20 2HD LYS 20 -9.999 15.531 -19.083 93 1HE LYS 20 1HE LYS 20 -10.442 16.752 -21.423 94 2HE LYS 20 2HE LYS 20 -9.884 18.162 -20.499 95 1HZ LYS 20 1HZ LYS 20 -8.486 15.543 -20.507 96 2HZ LYS 20 2HZ LYS 20 -8.059 16.830 -21.527 97 3HZ LYS 20 3HZ LYS 20 -7.931 17.005 -19.842 98 H ALA 21 H ALA 21 -11.562 18.202 -16.286 99 HA ALA 21 HA ALA 21 -8.828 17.502 -15.925 100 1HB ALA 21 1HB ALA 21 -9.962 19.792 -15.979 101 2HB ALA 21 3HB ALA 21 -8.732 19.599 -14.729 102 3HB ALA 21 2HB ALA 21 -10.442 19.500 -14.308 103 H LEU 22 H LEU 22 -11.661 17.026 -13.922 104 HA LEU 22 HA LEU 22 -10.226 16.308 -11.472 105 1HB LEU 22 1HB LEU 22 -13.055 16.011 -12.522 106 2HB LEU 22 2HB LEU 22 -12.586 15.432 -10.931 107 HG LEU 22 HG LEU 22 -11.866 17.739 -10.334 108 1HD1 LEU 22 1HD1 LEU 22 -12.895 18.291 -13.124 109 2HD1 LEU 22 2HD1 LEU 22 -12.780 19.559 -11.902 110 3HD1 LEU 22 3HD1 LEU 22 -11.326 18.719 -12.441 111 1HD2 LEU 22 1HD2 LEU 22 -14.672 17.099 -11.211 112 2HD2 LEU 22 2HD2 LEU 22 -14.031 17.289 -9.576 113 3HD2 LEU 22 3HD2 LEU 22 -14.309 18.710 -10.584 114 H GLN 23 H GLN 23 -12.046 14.597 -13.989 115 HA GLN 23 HA GLN 23 -11.797 11.938 -13.185 116 1HB GLN 23 1HB GLN 23 -12.837 13.264 -15.270 117 2HB GLN 23 2HB GLN 23 -11.371 12.667 -16.053 118 1HG GLN 23 1HG GLN 23 -11.926 10.387 -15.570 119 2HG GLN 23 2HG GLN 23 -13.239 10.869 -14.494 120 2HE2 GLN 23 2HE2 GLN 23 -13.062 9.372 -17.275 121 1HE2 GLN 23 1HE2 GLN 23 -14.292 10.121 -18.173 122 H GLN 24 H GLN 24 -9.547 13.641 -15.401 123 HA GLN 24 HA GLN 24 -7.599 11.557 -15.521 124 1HB GLN 24 1HB GLN 24 -8.058 14.131 -16.558 125 2HB GLN 24 2HB GLN 24 -6.499 14.236 -15.738 126 1HG GLN 24 1HG GLN 24 -6.199 11.858 -16.998 127 2HG GLN 24 2HG GLN 24 -7.272 12.670 -18.138 128 2HE2 GLN 24 2HE2 GLN 24 -4.147 13.077 -16.419 129 1HE2 GLN 24 1HE2 GLN 24 -3.478 14.136 -17.564 130 H LYS 25 H LYS 25 -7.772 14.461 -13.433 131 HA LYS 25 HA LYS 25 -5.317 14.036 -12.036 132 1HB LYS 25 1HB LYS 25 -7.830 15.581 -11.747 133 2HB LYS 25 2HB LYS 25 -6.925 15.329 -10.254 134 1HG LYS 25 1HG LYS 25 -5.192 16.652 -10.927 135 2HG LYS 25 2HG LYS 25 -5.297 16.108 -12.602 136 1HD LYS 25 1HD LYS 25 -6.790 17.746 -13.184 137 2HD LYS 25 2HD LYS 25 -7.576 17.735 -11.604 138 1HE LYS 25 2HE LYS 25 -6.434 19.826 -11.677 139 2HE LYS 25 1HE LYS 25 -5.353 18.782 -10.732 140 1HZ LYS 25 1HZ LYS 25 -4.180 18.209 -12.767 141 2HZ LYS 25 2HZ LYS 25 -5.200 19.226 -13.668 142 3HZ LYS 25 3HZ LYS 25 -4.144 19.889 -12.519 143 H ILE 26 H ILE 26 -8.666 13.205 -11.041 144 HA ILE 26 HA ILE 26 -8.086 11.892 -8.623 145 HB ILE 26 HB ILE 26 -10.156 11.316 -10.768 146 1HG1 ILE 26 1HG1 ILE 26 -10.531 12.840 -8.189 147 2HG1 ILE 26 2HG1 ILE 26 -9.948 13.646 -9.645 148 1HG2 ILE 26 1HG2 ILE 26 -9.550 9.901 -8.348 149 2HG2 ILE 26 2HG2 ILE 26 -11.092 10.730 -8.141 150 3HG2 ILE 26 3HG2 ILE 26 -10.866 9.610 -9.484 151 1HD1 ILE 26 1HD1 ILE 26 -11.957 12.712 -10.859 152 2HD1 ILE 26 2HD1 ILE 26 -12.567 12.168 -9.297 153 3HD1 ILE 26 3HD1 ILE 26 -12.346 13.891 -9.606 154 H HIS 27 H HIS 27 -8.332 10.414 -11.884 155 HA HIS 27 HA HIS 27 -7.508 7.786 -11.020 156 1HB HIS 27 1HB HIS 27 -8.684 8.855 -13.204 157 2HB HIS 27 2HB HIS 27 -7.031 8.723 -13.807 158 HD1 HIS 27 HD1 HIS 27 -6.006 6.154 -12.792 159 HD2 HIS 27 HD2 HIS 27 -9.990 6.547 -13.953 160 HE1 HIS 27 HE1 HIS 27 -6.841 3.815 -13.289 161 H GLU 28 H GLU 28 -5.767 10.702 -11.769 162 HA GLU 28 HA GLU 28 -3.241 9.438 -12.474 163 1HB GLU 28 1HB GLU 28 -4.397 12.119 -12.047 164 2HB GLU 28 2HB GLU 28 -2.684 11.999 -11.642 165 1HG GLU 28 1HG GLU 28 -3.896 11.074 -14.263 166 2HG GLU 28 2HG GLU 28 -3.064 12.613 -14.033 167 H LEU 29 H LEU 29 -4.644 10.808 -9.497 168 HA LEU 29 HA LEU 29 -2.217 10.374 -7.926 169 1HB LEU 29 1HB LEU 29 -5.090 11.139 -7.374 170 2HB LEU 29 2HB LEU 29 -3.920 10.933 -6.070 171 HG LEU 29 HG LEU 29 -3.219 12.668 -8.419 172 1HD1 LEU 29 1HD1 LEU 29 -5.540 13.242 -7.360 173 2HD1 LEU 29 2HD1 LEU 29 -4.584 13.797 -5.985 174 3HD1 LEU 29 3HD1 LEU 29 -4.359 14.536 -7.571 175 1HD2 LEU 29 1HD2 LEU 29 -2.230 12.072 -5.721 176 2HD2 LEU 29 2HD2 LEU 29 -1.377 12.767 -7.100 177 3HD2 LEU 29 3HD2 LEU 29 -2.341 13.802 -6.045 178 H GLU 30 H GLU 30 -5.366 8.738 -8.294 179 HA GLU 30 HA GLU 30 -5.161 6.792 -6.272 180 1HB GLU 30 1HB GLU 30 -7.012 7.376 -7.999 181 2HB GLU 30 2HB GLU 30 -6.190 6.224 -9.052 182 1HG GLU 30 1HG GLU 30 -6.356 4.529 -7.190 183 2HG GLU 30 2HG GLU 30 -7.372 5.677 -6.317 184 H GLY 31 H GLY 31 -3.833 6.717 -9.586 185 1HA GLY 31 2HA GLY 31 -2.405 5.117 -10.592 186 2HA GLY 31 1HA GLY 31 -2.625 4.084 -9.179 187 H LEU 32 H LEU 32 -1.715 7.386 -8.630 188 HA LEU 32 HA LEU 32 1.102 7.281 -8.832 189 1HB LEU 32 1HB LEU 32 -0.410 9.255 -8.383 190 2HB LEU 32 2HB LEU 32 -0.553 8.691 -6.717 191 HG LEU 32 HG LEU 32 1.878 8.872 -6.424 192 1HD1 LEU 32 1HD1 LEU 32 1.781 9.714 -9.330 193 2HD1 LEU 32 2HD1 LEU 32 3.161 10.049 -8.287 194 3HD1 LEU 32 3HD1 LEU 32 2.695 8.383 -8.622 195 1HD2 LEU 32 1HD2 LEU 32 0.127 11.120 -7.118 196 2HD2 LEU 32 2HD2 LEU 32 1.231 10.938 -5.755 197 3HD2 LEU 32 3HD2 LEU 32 1.838 11.500 -7.312 198 H MET 33 H MET 33 -0.861 6.729 -5.868 199 HA MET 33 HA MET 33 1.449 5.637 -4.443 200 1HB MET 33 1HB MET 33 -0.286 5.274 -2.674 201 2HB MET 33 2HB MET 33 -0.288 6.922 -3.300 202 1HG MET 33 1HG MET 33 -2.380 6.706 -4.132 203 2HG MET 33 2HG MET 33 -2.012 5.134 -4.839 204 1HE MET 33 1HE MET 33 -3.939 4.340 -4.682 205 2HE MET 33 2HE MET 33 -3.709 2.926 -3.650 206 3HE MET 33 3HE MET 33 -5.007 4.081 -3.305 207 H MET 34 H MET 34 -1.064 4.363 -6.477 208 HA MET 34 HA MET 34 -1.278 1.697 -5.496 209 1HB MET 34 1HB MET 34 -2.384 3.174 -7.475 210 2HB MET 34 2HB MET 34 -1.264 2.203 -8.432 211 1HG MET 34 1HG MET 34 -3.252 1.062 -6.447 212 2HG MET 34 2HG MET 34 -3.512 1.132 -8.190 213 1HE MET 34 1HE MET 34 -2.851 -1.084 -5.534 214 2HE MET 34 2HE MET 34 -3.856 -1.545 -6.917 215 3HE MET 34 3HE MET 34 -2.440 -2.503 -6.494 216 H GLN 35 H GLN 35 0.846 2.957 -8.111 217 HA GLN 35 HA GLN 35 2.304 0.590 -8.606 218 1HB GLN 35 1HB GLN 35 4.062 2.213 -9.387 219 2HB GLN 35 2HB GLN 35 2.446 2.600 -9.980 220 1HG GLN 35 1HG GLN 35 2.184 4.386 -8.465 221 2HG GLN 35 2HG GLN 35 3.484 3.809 -7.422 222 2HE2 GLN 35 2HE2 GLN 35 4.576 5.932 -7.641 223 1HE2 GLN 35 1HE2 GLN 35 5.407 6.323 -9.069 224 H HIS 36 H HIS 36 2.454 2.814 -5.915 225 HA HIS 36 HA HIS 36 5.047 1.881 -4.924 226 1HB HIS 36 1HB HIS 36 2.876 3.774 -4.168 227 2HB HIS 36 2HB HIS 36 3.889 3.179 -2.853 228 HD1 HIS 36 HD1 HIS 36 5.310 3.614 -6.295 229 HD2 HIS 36 HD2 HIS 36 5.311 5.649 -2.657 230 HE1 HIS 36 HE1 HIS 36 7.077 5.419 -6.484 231 H ALA 37 H ALA 37 1.670 1.603 -3.719 232 HA ALA 37 HA ALA 37 2.069 -0.192 -1.601 233 1HB ALA 37 1HB ALA 37 -0.304 -0.983 -2.855 234 2HB ALA 37 2HB ALA 37 -0.147 0.315 -1.671 235 3HB ALA 37 3HB ALA 37 -0.073 0.680 -3.395 236 H GLN 38 H GLN 38 1.885 -0.845 -5.080 237 HA GLN 38 HA GLN 38 1.907 -3.738 -4.857 238 1HB GLN 38 1HB GLN 38 2.427 -1.667 -6.989 239 2HB GLN 38 2HB GLN 38 2.711 -3.376 -7.322 240 1HG GLN 38 1HG GLN 38 0.330 -3.767 -6.421 241 2HG GLN 38 2HG GLN 38 0.115 -2.023 -6.585 242 2HE2 GLN 38 2HE2 GLN 38 1.005 -4.942 -8.482 243 1HE2 GLN 38 1HE2 GLN 38 0.482 -4.321 -9.973 244 H ASN 39 H ASN 39 4.377 -1.215 -5.198 245 HA ASN 39 HA ASN 39 6.553 -3.242 -5.205 246 1HB ASN 39 1HB ASN 39 6.288 -0.273 -5.681 247 2HB ASN 39 2HB ASN 39 7.875 -1.003 -5.439 248 2HD2 ASN 39 2HD2 ASN 39 8.850 -1.628 -7.362 249 1HD2 ASN 39 1HD2 ASN 39 8.028 -2.110 -8.766 250 H LEU 40 H LEU 40 4.769 -2.569 -2.826 251 HA LEU 40 HA LEU 40 5.025 -2.275 -0.504 252 1HB LEU 40 1HB LEU 40 7.695 -3.184 -1.542 253 2HB LEU 40 2HB LEU 40 7.532 -2.762 0.162 254 HG LEU 40 HG LEU 40 5.301 -4.310 -0.242 255 1HD1 LEU 40 1HD1 LEU 40 7.505 -5.199 -2.091 256 2HD1 LEU 40 2HD1 LEU 40 6.426 -6.387 -1.361 257 3HD1 LEU 40 3HD1 LEU 40 5.770 -5.119 -2.396 258 1HD2 LEU 40 1HD2 LEU 40 7.868 -4.494 1.081 259 2HD2 LEU 40 2HD2 LEU 40 6.316 -5.166 1.581 260 3HD2 LEU 40 3HD2 LEU 40 7.369 -6.086 0.507 261 H GLU 41 H GLU 41 5.005 0.139 -1.965 262 HA GLU 41 HA GLU 41 6.949 1.789 -0.383 263 1HB GLU 41 1HB GLU 41 5.993 2.074 -3.248 264 2HB GLU 41 2HB GLU 41 6.957 3.289 -2.408 265 1HG GLU 41 1HG GLU 41 7.999 0.513 -2.303 266 2HG GLU 41 2HG GLU 41 8.052 1.296 -3.882 267 H PHE 42 H PHE 42 3.927 0.963 -0.245 268 HA PHE 42 HA PHE 42 2.267 3.210 -0.677 269 1HB PHE 42 1HB PHE 42 0.830 2.037 1.038 270 2HB PHE 42 2HB PHE 42 1.386 1.005 -0.276 271 HD1 PHE 42 HD1 PHE 42 2.435 2.143 3.159 272 HD2 PHE 42 HD2 PHE 42 2.417 -1.048 0.244 273 HE1 PHE 42 HE1 PHE 42 3.524 0.624 4.804 274 HE2 PHE 42 HE2 PHE 42 3.496 -2.549 1.888 275 HZ PHE 42 HZ PHE 42 4.049 -1.723 4.171 276 H GLU 43 H GLU 43 4.804 2.916 1.640 277 HA GLU 43 HA GLU 43 3.845 4.191 3.940 278 1HB GLU 43 1HB GLU 43 6.126 3.345 3.651 279 2HB GLU 43 2HB GLU 43 6.449 4.564 2.419 280 1HG GLU 43 1HG GLU 43 5.693 6.218 4.365 281 2HG GLU 43 2HG GLU 43 6.223 4.879 5.383 282 H GLU 44 H GLU 44 5.540 5.957 1.350 283 HA GLU 44 HA GLU 44 4.211 8.475 2.077 284 1HB GLU 44 1HB GLU 44 5.644 9.327 0.222 285 2HB GLU 44 2HB GLU 44 6.569 8.364 1.374 286 1HG GLU 44 1HG GLU 44 6.761 6.555 -0.085 287 2HG GLU 44 2HG GLU 44 5.335 7.023 -1.013 288 H ALA 45 H ALA 45 3.684 5.849 -0.129 289 HA ALA 45 HA ALA 45 2.141 7.315 -2.113 290 1HB ALA 45 1HB ALA 45 1.515 4.590 -2.221 291 2HB ALA 45 3HB ALA 45 3.145 4.632 -1.550 292 3HB ALA 45 2HB ALA 45 2.812 5.395 -3.103 293 H ALA 46 H ALA 46 1.206 4.918 0.386 294 HA ALA 46 HA ALA 46 -1.541 4.863 0.135 295 1HB ALA 46 1HB ALA 46 0.238 4.925 2.580 296 2HB ALA 46 3HB ALA 46 -0.410 3.509 1.749 297 3HB ALA 46 2HB ALA 46 -1.481 4.561 2.673 298 H GLN 47 H GLN 47 0.379 7.526 1.450 299 HA GLN 47 HA GLN 47 -1.631 8.999 2.789 300 1HB GLN 47 1HB GLN 47 0.667 9.966 1.056 301 2HB GLN 47 2HB GLN 47 -0.154 10.917 2.295 302 1HG GLN 47 1HG GLN 47 0.469 8.851 3.833 303 2HG GLN 47 2HG GLN 47 1.723 8.605 2.617 304 2HE2 GLN 47 2HE2 GLN 47 0.331 11.614 4.051 305 1HE2 GLN 47 1HE2 GLN 47 1.829 12.248 4.536 306 H ILE 48 H ILE 48 -0.940 8.671 -0.667 307 HA ILE 48 HA ILE 48 -2.425 10.787 -1.767 308 HB ILE 48 HB ILE 48 -2.106 7.891 -2.623 309 1HG1 ILE 48 1HG1 ILE 48 0.006 9.117 -2.322 310 2HG1 ILE 48 2HG1 ILE 48 -0.295 8.827 -4.035 311 1HG2 ILE 48 1HG2 ILE 48 -3.663 10.041 -3.777 312 2HG2 ILE 48 2HG2 ILE 48 -2.360 9.573 -4.870 313 3HG2 ILE 48 3HG2 ILE 48 -3.518 8.367 -4.311 314 1HD1 ILE 48 1HD1 ILE 48 -1.489 11.182 -3.905 315 2HD1 ILE 48 2HD1 ILE 48 -0.458 11.392 -2.490 316 3HD1 ILE 48 3HD1 ILE 48 0.265 11.085 -4.069 317 H ARG 49 H ARG 49 -3.552 7.750 -0.357 318 HA ARG 49 HA ARG 49 -6.221 7.616 -1.182 319 1HB ARG 49 1HB ARG 49 -5.280 5.921 0.202 320 2HB ARG 49 2HB ARG 49 -4.793 7.079 1.432 321 1HG ARG 49 1HG ARG 49 -7.630 7.287 1.102 322 2HG ARG 49 2HG ARG 49 -7.222 5.583 1.275 323 1HD ARG 49 1HD ARG 49 -7.605 6.665 3.491 324 2HD ARG 49 2HD ARG 49 -5.934 6.089 3.329 325 HE ARG 49 HE ARG 49 -5.388 8.486 2.593 326 1HH1 ARG 49 1HH1 ARG 49 -8.414 9.173 2.821 327 2HH1 ARG 49 2HH1 ARG 49 -8.405 10.084 4.294 328 1HH2 ARG 49 1HH2 ARG 49 -5.242 9.026 5.240 329 2HH2 ARG 49 2HH2 ARG 49 -6.609 10.001 5.663 330 H ASP 50 H ASP 50 -4.709 9.892 1.043 331 HA ASP 50 HA ASP 50 -7.139 10.984 2.166 332 1HB ASP 50 1HB ASP 50 -4.737 11.148 3.011 333 2HB ASP 50 2HB ASP 50 -4.460 12.339 1.740 334 H GLN 51 H GLN 51 -5.090 11.824 -0.621 335 HA GLN 51 HA GLN 51 -6.741 14.128 -1.374 336 1HB GLN 51 1HB GLN 51 -4.622 12.584 -2.907 337 2HB GLN 51 2HB GLN 51 -5.165 14.230 -3.239 338 1HG GLN 51 1HG GLN 51 -4.306 14.986 -1.078 339 2HG GLN 51 2HG GLN 51 -3.840 13.336 -0.660 340 2HE2 GLN 51 2HE2 GLN 51 -3.419 15.208 -3.718 341 1HE2 GLN 51 1HE2 GLN 51 -1.735 14.997 -3.786 342 H LEU 52 H LEU 52 -6.489 10.717 -2.226 343 HA LEU 52 HA LEU 52 -8.041 10.759 -4.639 344 1HB LEU 52 1HB LEU 52 -6.884 8.876 -2.732 345 2HB LEU 52 2HB LEU 52 -8.428 8.300 -3.358 346 HG LEU 52 HG LEU 52 -6.513 7.571 -4.772 347 1HD1 LEU 52 1HD1 LEU 52 -8.844 9.098 -5.645 348 2HD1 LEU 52 2HD1 LEU 52 -7.536 9.157 -6.828 349 3HD1 LEU 52 3HD1 LEU 52 -8.177 7.601 -6.300 350 1HD2 LEU 52 1HD2 LEU 52 -5.545 10.116 -4.273 351 2HD2 LEU 52 2HD2 LEU 52 -4.914 9.011 -5.493 352 3HD2 LEU 52 3HD2 LEU 52 -6.100 10.235 -5.943 353 H HIS 53 H HIS 53 -8.940 10.331 -1.214 354 HA HIS 53 HA HIS 53 -11.758 9.869 -1.764 355 1HB HIS 53 1HB HIS 53 -10.111 9.390 0.297 356 2HB HIS 53 2HB HIS 53 -10.762 10.936 0.843 357 HD1 HIS 53 HD1 HIS 53 -13.551 11.026 0.639 358 HD2 HIS 53 HD2 HIS 53 -11.750 7.281 0.980 359 HE1 HIS 53 HE1 HIS 53 -15.362 9.425 1.398 360 H GLN 54 H GLN 54 -9.810 12.699 -0.814 361 HA GLN 54 HA GLN 54 -11.991 14.516 -0.412 362 1HB GLN 54 1HB GLN 54 -9.610 14.779 0.321 363 2HB GLN 54 2HB GLN 54 -9.155 15.040 -1.363 364 1HG GLN 54 1HG GLN 54 -9.844 17.186 -1.304 365 2HG GLN 54 2HG GLN 54 -11.392 16.735 -0.591 366 2HE2 GLN 54 2HE2 GLN 54 -11.584 16.788 1.744 367 1HE2 GLN 54 1HE2 GLN 54 -10.387 17.480 2.729 368 H LEU 55 H LEU 55 -9.851 14.055 -3.257 369 HA LEU 55 HA LEU 55 -11.209 15.889 -4.975 370 1HB LEU 55 1HB LEU 55 -9.341 13.563 -5.229 371 2HB LEU 55 2HB LEU 55 -10.099 14.180 -6.697 372 HG LEU 55 HG LEU 55 -9.164 16.379 -5.075 373 1HD1 LEU 55 1HD1 LEU 55 -7.375 14.032 -5.351 374 2HD1 LEU 55 2HD1 LEU 55 -6.664 15.584 -5.795 375 3HD1 LEU 55 3HD1 LEU 55 -7.331 15.349 -4.180 376 1HD2 LEU 55 1HD2 LEU 55 -8.673 15.272 -7.837 377 2HD2 LEU 55 2HD2 LEU 55 -9.512 16.754 -7.377 378 3HD2 LEU 55 3HD2 LEU 55 -7.755 16.659 -7.249 379 H ARG 56 H ARG 56 -11.798 12.488 -4.205 380 HA ARG 56 HA ARG 56 -13.583 11.828 -6.321 381 1HB ARG 56 1HB ARG 56 -12.579 10.233 -4.740 382 2HB ARG 56 2HB ARG 56 -13.494 10.953 -3.415 383 1HG ARG 56 1HG ARG 56 -15.495 10.417 -5.196 384 2HG ARG 56 2HG ARG 56 -14.386 9.084 -5.523 385 1HD ARG 56 1HD ARG 56 -14.321 8.620 -3.041 386 2HD ARG 56 2HD ARG 56 -15.608 9.827 -2.843 387 HE ARG 56 HE ARG 56 -16.381 8.052 -4.929 388 1HH1 ARG 56 1HH1 ARG 56 -15.150 6.213 -2.786 389 2HH1 ARG 56 2HH1 ARG 56 -16.565 5.784 -1.885 390 1HH2 ARG 56 1HH2 ARG 56 -18.512 8.320 -3.230 391 2HH2 ARG 56 2HH2 ARG 56 -18.470 6.977 -2.136 392 H GLU 57 H GLU 57 -14.274 13.165 -3.070 393 HA GLU 57 HA GLU 57 -17.080 13.296 -3.204 394 1HB GLU 57 1HB GLU 57 -15.598 13.805 -1.258 395 2HB GLU 57 2HB GLU 57 -15.146 15.323 -2.035 396 1HG GLU 57 2HG GLU 57 -16.884 16.031 -0.657 397 2HG GLU 57 1HG GLU 57 -17.755 15.693 -2.153 398 H LEU 58 H LEU 58 -14.662 15.424 -4.675 399 HA LEU 58 HA LEU 58 -16.565 17.467 -5.498 400 1HB LEU 58 1HB LEU 58 -13.694 16.739 -5.994 401 2HB LEU 58 2HB LEU 58 -14.457 17.948 -7.026 402 HG LEU 58 HG LEU 58 -14.749 18.162 -4.046 403 1HD1 LEU 58 1HD1 LEU 58 -12.308 18.784 -5.700 404 2HD1 LEU 58 2HD1 LEU 58 -12.685 19.739 -4.266 405 3HD1 LEU 58 3HD1 LEU 58 -12.403 18.004 -4.122 406 1HD2 LEU 58 1HD2 LEU 58 -15.943 19.592 -5.854 407 2HD2 LEU 58 2HD2 LEU 58 -15.158 20.442 -4.523 408 3HD2 LEU 58 3HD2 LEU 58 -14.367 20.345 -6.096 409 H PHE 59 H PHE 59 -15.203 14.542 -6.956 410 HA PHE 59 HA PHE 59 -15.888 14.923 -9.666 411 1HB PHE 59 1HB PHE 59 -14.583 13.053 -8.585 412 2HB PHE 59 2HB PHE 59 -16.115 12.375 -8.034 413 HD1 PHE 59 HD1 PHE 59 -14.289 13.473 -11.123 414 HD2 PHE 59 HD2 PHE 59 -17.413 10.999 -9.458 415 HE1 PHE 59 HE1 PHE 59 -14.607 12.380 -13.341 416 HE2 PHE 59 HE2 PHE 59 -17.729 9.907 -11.676 417 HZ PHE 59 HZ PHE 59 -16.326 10.597 -13.617 418 H ILE 60 H ILE 60 -17.898 13.611 -7.011 419 HA ILE 60 HA ILE 60 -20.224 13.044 -8.569 420 HB ILE 60 HB ILE 60 -19.842 13.844 -5.665 421 1HG1 ILE 60 1HG1 ILE 60 -20.202 11.091 -6.882 422 2HG1 ILE 60 2HG1 ILE 60 -18.618 11.798 -6.563 423 1HG2 ILE 60 1HG2 ILE 60 -22.197 14.088 -6.476 424 2HG2 ILE 60 2HG2 ILE 60 -22.166 12.395 -6.970 425 3HG2 ILE 60 3HG2 ILE 60 -22.017 12.818 -5.265 426 1HD1 ILE 60 1HD1 ILE 60 -20.775 11.459 -4.461 427 2HD1 ILE 60 2HD1 ILE 60 -19.447 10.323 -4.707 428 3HD1 ILE 60 3HD1 ILE 60 -19.110 11.977 -4.195 429 H ALA 61 H ALA 61 -19.218 15.988 -6.820 430 HA ALA 61 HA ALA 61 -21.596 17.513 -7.229 431 1HB ALA 61 1HB ALA 61 -20.232 19.319 -6.498 432 2HB ALA 61 2HB ALA 61 -19.511 17.896 -5.747 433 3HB ALA 61 3HB ALA 61 -18.776 18.602 -7.186 434 H ALA 62 H ALA 62 -19.022 16.627 -9.405 435 HA ALA 62 HA ALA 62 -19.906 18.669 -11.399 436 1HB ALA 62 1HB ALA 62 -17.432 17.794 -10.523 437 2HB ALA 62 3HB ALA 62 -17.720 18.666 -12.028 438 3HB ALA 62 2HB ALA 62 -17.641 16.905 -12.031 439 H SER 63 H SER 63 -18.919 15.215 -11.398 440 HA SER 63 HA SER 63 -20.511 14.725 -13.833 441 1HB SER 63 1HB SER 63 -18.226 13.784 -13.365 442 2HB SER 63 2HB SER 63 -18.928 12.847 -12.049 443 HG SER 63 HG SER 63 -20.373 11.965 -13.666 444 H LEU 8 H LEU 8 19.595 -39.634 13.322 445 HA LEU 8 HA LEU 8 21.638 -38.911 14.895 446 1HB LEU 8 1HB LEU 8 21.399 -40.720 12.994 447 2HB LEU 8 2HB LEU 8 22.337 -39.566 12.044 448 HG LEU 8 HG LEU 8 23.215 -40.450 14.796 449 1HD1 LEU 8 1HD1 LEU 8 23.691 -41.740 12.105 450 2HD1 LEU 8 2HD1 LEU 8 24.815 -41.949 13.448 451 3HD1 LEU 8 3HD1 LEU 8 23.148 -42.502 13.599 452 1HD2 LEU 8 1HD2 LEU 8 24.373 -38.931 12.485 453 2HD2 LEU 8 2HD2 LEU 8 24.477 -38.587 14.212 454 3HD2 LEU 8 3HD2 LEU 8 25.461 -39.870 13.507 455 H GLU 9 H GLU 9 21.760 -36.598 15.186 456 HA GLU 9 HA GLU 9 22.583 -34.426 14.741 457 1HB GLU 9 1HB GLU 9 24.531 -36.172 14.390 458 2HB GLU 9 2HB GLU 9 24.361 -35.720 12.693 459 1HG GLU 9 1HG GLU 9 25.230 -33.643 13.025 460 2HG GLU 9 2HG GLU 9 24.414 -33.445 14.576 461 HA PRO 10 HA PRO 10 20.160 -34.272 10.771 462 1HB PRO 10 1HB PRO 10 18.225 -32.563 11.673 463 2HB PRO 10 2HB PRO 10 18.112 -34.325 11.845 464 1HG PRO 10 2HG PRO 10 18.888 -32.272 13.854 465 2HG PRO 10 1HG PRO 10 17.933 -33.749 14.058 466 1HD PRO 10 1HD PRO 10 20.560 -33.530 14.777 467 2HD PRO 10 2HD PRO 10 19.783 -35.063 14.326 468 H ASP 11 H ASP 11 20.549 -31.538 13.059 469 HA ASP 11 HA ASP 11 21.453 -29.383 12.742 470 1HB ASP 11 1HB ASP 11 22.928 -31.268 11.134 471 2HB ASP 11 2HB ASP 11 22.839 -29.725 10.284 472 H ASN 12 H ASN 12 21.244 -30.248 9.301 473 HA ASN 12 HA ASN 12 18.862 -28.485 8.987 474 1HB ASN 12 1HB ASN 12 20.106 -27.263 7.183 475 2HB ASN 12 2HB ASN 12 20.827 -27.046 8.778 476 2HD2 ASN 12 2HD2 ASN 12 21.217 -28.776 5.684 477 1HD2 ASN 12 1HD2 ASN 12 22.852 -29.166 5.918 478 H VAL 13 H VAL 13 19.606 -31.430 8.641 479 HA VAL 13 HA VAL 13 19.817 -32.181 5.934 480 HB VAL 13 HB VAL 13 18.786 -33.325 8.491 481 1HG1 VAL 13 1HG1 VAL 13 18.048 -34.396 5.773 482 2HG1 VAL 13 2HG1 VAL 13 18.330 -35.505 7.114 483 3HG1 VAL 13 3HG1 VAL 13 17.056 -34.290 7.227 484 1HG2 VAL 13 1HG2 VAL 13 20.907 -33.864 6.453 485 2HG2 VAL 13 2HG2 VAL 13 21.047 -33.718 8.205 486 3HG2 VAL 13 3HG2 VAL 13 20.378 -35.187 7.493 487 HA PRO 14 HA PRO 14 15.099 -31.903 5.529 488 1HB PRO 14 1HB PRO 14 13.627 -30.804 7.556 489 2HB PRO 14 2HB PRO 14 14.035 -32.528 7.480 490 1HG PRO 14 2HG PRO 14 15.156 -30.404 9.192 491 2HG PRO 14 1HG PRO 14 15.024 -32.143 9.478 492 1HD PRO 14 1HD PRO 14 17.336 -30.753 8.704 493 2HD PRO 14 2HD PRO 14 17.103 -32.509 8.708 494 H MET 15 H MET 15 14.863 -29.165 7.760 495 HA MET 15 HA MET 15 15.866 -27.165 5.948 496 1HB MET 15 1HB MET 15 13.819 -28.080 4.763 497 2HB MET 15 2HB MET 15 12.851 -27.457 6.099 498 1HG MET 15 1HG MET 15 12.740 -25.598 4.767 499 2HG MET 15 2HG MET 15 14.297 -25.245 5.517 500 1HE MET 15 1HE MET 15 12.959 -24.249 3.103 501 2HE MET 15 2HE MET 15 13.978 -24.343 1.660 502 3HE MET 15 3HE MET 15 12.666 -25.496 1.894 503 H ASP 16 H ASP 16 16.721 -26.542 8.082 504 HA ASP 16 HA ASP 16 15.152 -24.511 9.401 505 1HB ASP 16 1HB ASP 16 13.961 -26.489 10.226 506 2HB ASP 16 2HB ASP 16 15.481 -27.202 10.767 507 H MET 17 H MET 17 17.478 -23.845 8.631 508 HA MET 17 HA MET 17 19.839 -24.709 9.924 509 1HB MET 17 1HB MET 17 20.653 -22.430 9.280 510 2HB MET 17 2HB MET 17 19.781 -23.235 7.976 511 1HG MET 17 1HG MET 17 17.718 -21.969 9.183 512 2HG MET 17 2HG MET 17 19.022 -20.847 9.568 513 1HE MET 17 1HE MET 17 16.920 -22.648 7.192 514 2HE MET 17 2HE MET 17 17.178 -21.972 5.585 515 3HE MET 17 3HE MET 17 18.321 -23.146 6.233 516 H SER 18 H SER 18 17.339 -22.440 11.027 517 HA SER 18 HA SER 18 18.038 -22.791 13.795 518 1HB SER 18 1HB SER 18 19.447 -20.755 12.214 519 2HB SER 18 2HB SER 18 18.716 -20.114 13.682 520 HG SER 18 HG SER 18 20.133 -21.172 14.816 521 HA PRO 19 HA PRO 19 14.848 -19.277 13.534 522 1HB PRO 19 1HB PRO 19 14.353 -18.085 11.133 523 2HB PRO 19 2HB PRO 19 15.575 -17.505 12.280 524 1HG PRO 19 2HG PRO 19 15.904 -19.084 9.793 525 2HG PRO 19 1HG PRO 19 16.942 -17.836 10.500 526 1HD PRO 19 1HD PRO 19 17.439 -20.536 10.656 527 2HD PRO 19 2HD PRO 19 18.065 -19.328 11.798 528 H LYS 20 H LYS 20 14.151 -19.814 10.149 529 HA LYS 20 HA LYS 20 12.498 -21.129 9.077 530 1HB LYS 20 1HB LYS 20 13.632 -22.868 10.670 531 2HB LYS 20 2HB LYS 20 12.192 -22.655 11.666 532 1HG LYS 20 1HG LYS 20 12.002 -23.265 8.716 533 2HG LYS 20 2HG LYS 20 12.119 -24.545 9.924 534 1HD LYS 20 1HD LYS 20 10.170 -22.791 10.920 535 2HD LYS 20 2HD LYS 20 9.823 -22.924 9.195 536 1HE LYS 20 1HE LYS 20 10.246 -25.522 9.681 537 2HE LYS 20 2HE LYS 20 9.731 -25.038 11.309 538 1HZ LYS 20 1HZ LYS 20 8.286 -24.273 8.831 539 2HZ LYS 20 2HZ LYS 20 7.865 -25.615 9.778 540 3HZ LYS 20 3HZ LYS 20 7.769 -24.050 10.434 541 H ALA 21 H ALA 21 11.484 -21.035 12.523 542 HA ALA 21 HA ALA 21 8.746 -20.456 12.019 543 1HB ALA 21 1HB ALA 21 10.425 -19.501 14.360 544 2HB ALA 21 3HB ALA 21 8.709 -19.913 14.371 545 3HB ALA 21 2HB ALA 21 9.919 -21.179 14.169 546 H LEU 22 H LEU 22 11.605 -18.434 12.074 547 HA LEU 22 HA LEU 22 10.202 -15.863 12.125 548 1HB LEU 22 1HB LEU 22 13.005 -16.817 11.474 549 2HB LEU 22 2HB LEU 22 12.555 -15.122 11.388 550 HG LEU 22 HG LEU 22 11.888 -15.206 13.785 551 1HD1 LEU 22 1HD1 LEU 22 12.875 -18.049 13.488 552 2HD1 LEU 22 2HD1 LEU 22 12.806 -17.242 15.056 553 3HD1 LEU 22 3HD1 LEU 22 11.327 -17.499 14.129 554 1HD2 LEU 22 1HD2 LEU 22 14.665 -15.896 12.856 555 2HD2 LEU 22 2HD2 LEU 22 14.057 -14.377 13.524 556 3HD2 LEU 22 3HD2 LEU 22 14.342 -15.754 14.587 557 H GLN 23 H GLN 23 11.945 -17.802 9.722 558 HA GLN 23 HA GLN 23 11.662 -16.263 7.412 559 1HB GLN 23 1HB GLN 23 12.689 -18.655 8.058 560 2HB GLN 23 2HB GLN 23 11.197 -19.215 7.295 561 1HG GLN 23 1HG GLN 23 11.721 -18.101 5.238 562 2HG GLN 23 2HG GLN 23 13.061 -17.227 5.980 563 2HE2 GLN 23 2HE2 GLN 23 12.807 -19.455 3.750 564 1HE2 GLN 23 1HE2 GLN 23 14.033 -20.546 4.181 565 H GLN 24 H GLN 24 9.403 -18.849 8.455 566 HA GLN 24 HA GLN 24 7.416 -18.340 6.469 567 1HB GLN 24 1HB GLN 24 7.903 -20.079 8.625 568 2HB GLN 24 2HB GLN 24 6.362 -19.306 8.997 569 1HG GLN 24 1HG GLN 24 5.994 -19.823 6.364 570 2HG GLN 24 2HG GLN 24 7.062 -21.162 6.790 571 2HE2 GLN 24 2HE2 GLN 24 3.977 -19.595 7.744 572 1HE2 GLN 24 1HE2 GLN 24 3.307 -20.990 8.443 573 H LYS 25 H LYS 25 7.679 -17.180 9.848 574 HA LYS 25 HA LYS 25 5.243 -15.690 9.899 575 1HB LYS 25 1HB LYS 25 7.789 -15.888 11.404 576 2HB LYS 25 2HB LYS 25 6.905 -14.376 11.613 577 1HG LYS 25 1HG LYS 25 5.185 -15.380 12.725 578 2HG LYS 25 2HG LYS 25 5.252 -16.829 11.720 579 1HD LYS 25 1HD LYS 25 6.763 -17.875 13.087 580 2HD LYS 25 2HD LYS 25 7.576 -16.368 13.513 581 1HE LYS 25 2HE LYS 25 6.471 -17.027 15.520 582 2HE LYS 25 1HE LYS 25 5.388 -15.810 14.816 583 1HZ LYS 25 1HZ LYS 25 4.169 -17.579 13.709 584 2HZ LYS 25 2HZ LYS 25 5.191 -18.747 14.400 585 3HZ LYS 25 3HZ LYS 25 4.168 -17.825 15.390 586 H ILE 26 H ILE 26 8.594 -14.537 9.315 587 HA ILE 26 HA ILE 26 8.033 -11.838 8.765 588 HB ILE 26 HB ILE 26 10.053 -13.750 7.550 589 1HG1 ILE 26 1HG1 ILE 26 10.503 -11.723 9.742 590 2HG1 ILE 26 2HG1 ILE 26 9.908 -13.342 10.109 591 1HG2 ILE 26 1HG2 ILE 26 9.465 -11.018 6.906 592 2HG2 ILE 26 2HG2 ILE 26 11.027 -11.077 7.723 593 3HG2 ILE 26 3HG2 ILE 26 10.755 -12.039 6.270 594 1HD1 ILE 26 1HD1 ILE 26 11.878 -14.262 8.818 595 2HD1 ILE 26 2HD1 ILE 26 12.507 -12.616 8.735 596 3HD1 ILE 26 3HD1 ILE 26 12.310 -13.406 10.299 597 H HIS 27 H HIS 27 8.195 -14.537 6.407 598 HA HIS 27 HA HIS 27 7.337 -12.943 4.158 599 1HB HIS 27 1HB HIS 27 8.494 -15.356 4.526 600 2HB HIS 27 2HB HIS 27 6.829 -15.876 4.263 601 HD1 HIS 27 HD1 HIS 27 5.775 -14.150 2.120 602 HD2 HIS 27 HD2 HIS 27 9.744 -15.423 2.073 603 HE1 HIS 27 HE1 HIS 27 6.558 -13.964 -0.282 604 H GLU 28 H GLU 28 5.638 -14.479 6.773 605 HA GLU 28 HA GLU 28 3.076 -14.759 5.417 606 1HB GLU 28 1HB GLU 28 4.288 -15.138 8.081 607 2HB GLU 28 2HB GLU 28 2.581 -14.695 8.122 608 1HG GLU 28 1HG GLU 28 3.729 -16.953 6.455 609 2HG GLU 28 2HG GLU 28 2.928 -17.165 8.012 610 H LEU 29 H LEU 29 4.557 -12.321 7.554 611 HA LEU 29 HA LEU 29 2.151 -10.663 7.645 612 1HB LEU 29 1HB LEU 29 5.048 -10.390 8.472 613 2HB LEU 29 2HB LEU 29 3.898 -9.068 8.677 614 HG LEU 29 HG LEU 29 3.186 -11.807 9.677 615 1HD1 LEU 29 1HD1 LEU 29 5.535 -10.987 10.479 616 2HD1 LEU 29 2HD1 LEU 29 4.615 -9.818 11.429 617 3HD1 LEU 29 3HD1 LEU 29 4.374 -11.547 11.684 618 1HD2 LEU 29 1HD2 LEU 29 2.234 -9.041 9.905 619 2HD2 LEU 29 2HD2 LEU 29 1.370 -10.551 10.194 620 3HD2 LEU 29 3HD2 LEU 29 2.371 -9.851 11.465 621 H GLU 30 H GLU 30 5.263 -10.581 5.902 622 HA GLU 30 HA GLU 30 5.058 -8.082 4.625 623 1HB GLU 30 1HB GLU 30 6.889 -9.926 4.645 624 2HB GLU 30 2HB GLU 30 6.027 -10.592 3.257 625 1HG GLU 30 1HG GLU 30 6.196 -8.323 2.167 626 2HG GLU 30 2HG GLU 30 7.247 -7.830 3.494 627 H GLY 31 H GLY 31 3.669 -11.218 3.630 628 1HA GLY 31 2HA GLY 31 2.196 -11.702 1.840 629 2HA GLY 31 1HA GLY 31 2.421 -10.054 1.253 630 H LEU 32 H LEU 32 1.582 -10.470 4.594 631 HA LEU 32 HA LEU 32 -1.240 -10.600 4.498 632 1HB LEU 32 1HB LEU 32 0.315 -10.756 6.483 633 2HB LEU 32 2HB LEU 32 0.479 -9.001 6.419 634 HG LEU 32 HG LEU 32 -1.944 -8.743 6.731 635 1HD1 LEU 32 1HD1 LEU 32 -1.883 -11.769 6.700 636 2HD1 LEU 32 2HD1 LEU 32 -3.239 -10.850 7.353 637 3HD1 LEU 32 3HD1 LEU 32 -2.808 -10.697 5.649 638 1HD2 LEU 32 1HD2 LEU 32 -0.163 -10.076 8.644 639 2HD2 LEU 32 2HD2 LEU 32 -1.247 -8.705 8.888 640 3HD2 LEU 32 3HD2 LEU 32 -1.871 -10.350 8.990 641 H MET 33 H MET 33 0.765 -7.628 4.781 642 HA MET 33 HA MET 33 -1.537 -5.920 4.198 643 1HB MET 33 1HB MET 33 0.226 -4.143 4.319 644 2HB MET 33 2HB MET 33 0.242 -5.217 5.719 645 1HG MET 33 1HG MET 33 2.312 -5.984 5.229 646 2HG MET 33 2HG MET 33 1.905 -6.201 3.527 647 1HE MET 33 1HE MET 33 3.822 -5.847 2.769 648 2HE MET 33 2HE MET 33 3.578 -4.450 1.718 649 3HE MET 33 3HE MET 33 4.909 -4.466 2.887 650 H MET 34 H MET 34 0.915 -7.529 2.334 651 HA MET 34 HA MET 34 1.098 -5.824 0.059 652 1HB MET 34 1HB MET 34 2.195 -8.157 0.878 653 2HB MET 34 2HB MET 34 1.040 -8.780 -0.301 654 1HG MET 34 1HG MET 34 3.042 -6.575 -0.867 655 2HG MET 34 2HG MET 34 3.272 -8.267 -1.307 656 1HE MET 34 1HE MET 34 2.620 -5.077 -2.652 657 2HE MET 34 2HE MET 34 3.591 -6.281 -3.512 658 3HE MET 34 3HE MET 34 2.165 -5.583 -4.277 659 H GLN 35 H GLN 35 -1.050 -8.666 0.560 660 HA GLN 35 HA GLN 35 -2.559 -8.440 -1.817 661 1HB GLN 35 1HB GLN 35 -4.300 -9.634 -0.447 662 2HB GLN 35 2HB GLN 35 -2.689 -10.334 -0.284 663 1HG GLN 35 1HG GLN 35 -2.366 -9.400 1.856 664 2HG GLN 35 2HG GLN 35 -3.658 -8.220 1.634 665 2HE2 GLN 35 2HE2 GLN 35 -4.715 -9.028 3.627 666 1HE2 GLN 35 1HE2 GLN 35 -5.565 -10.498 3.611 667 H HIS 36 H HIS 36 -2.620 -6.503 1.092 668 HA HIS 36 HA HIS 36 -5.210 -5.253 0.543 669 1HB HIS 36 1HB HIS 36 -2.992 -5.101 2.524 670 2HB HIS 36 2HB HIS 36 -3.993 -3.658 2.355 671 HD1 HIS 36 HD1 HIS 36 -5.466 -7.063 1.812 672 HD2 HIS 36 HD2 HIS 36 -5.365 -4.165 4.808 673 HE1 HIS 36 HE1 HIS 36 -7.204 -7.743 3.524 674 H ALA 37 H ALA 37 -1.818 -4.058 0.547 675 HA ALA 37 HA ALA 37 -2.211 -1.509 -0.555 676 1HB ALA 37 1HB ALA 37 -0.087 -3.503 -0.284 677 2HB ALA 37 3HB ALA 37 0.012 -1.749 -0.140 678 3HB ALA 37 2HB ALA 37 0.124 -2.511 -1.726 679 H GLN 38 H GLN 38 -2.101 -4.654 -2.185 680 HA GLN 38 HA GLN 38 -2.172 -3.607 -4.890 681 1HB GLN 38 1HB GLN 38 -2.693 -6.239 -3.508 682 2HB GLN 38 2HB GLN 38 -3.014 -6.063 -5.234 683 1HG GLN 38 1HG GLN 38 -0.625 -5.116 -5.403 684 2HG GLN 38 2HG GLN 38 -0.380 -5.778 -3.786 685 2HE2 GLN 38 2HE2 GLN 38 -1.359 -6.744 -7.105 686 1HE2 GLN 38 1HE2 GLN 38 -0.850 -8.355 -6.951 687 H ASN 39 H ASN 39 -4.601 -4.629 -2.517 688 HA ASN 39 HA ASN 39 -6.813 -4.027 -4.410 689 1HB ASN 39 1HB ASN 39 -6.503 -5.340 -1.711 690 2HB ASN 39 2HB ASN 39 -8.099 -4.881 -2.303 691 2HD2 ASN 39 2HD2 ASN 39 -9.120 -6.531 -3.433 692 1HD2 ASN 39 1HD2 ASN 39 -8.331 -7.745 -4.318 693 H LEU 40 H LEU 40 -4.976 -1.965 -3.122 694 HA LEU 40 HA LEU 40 -5.184 0.177 -2.167 695 1HB LEU 40 1HB LEU 40 -7.889 -0.523 -3.275 696 2HB LEU 40 2HB LEU 40 -7.688 0.985 -2.384 697 HG LEU 40 HG LEU 40 -5.493 1.018 -4.033 698 1HD1 LEU 40 1HD1 LEU 40 -7.746 -0.470 -5.366 699 2HD1 LEU 40 2HD1 LEU 40 -6.675 0.559 -6.318 700 3HD1 LEU 40 3HD1 LEU 40 -6.014 -0.806 -5.416 701 1HD2 LEU 40 1HD2 LEU 40 -8.038 2.367 -3.769 702 2HD2 LEU 40 2HD2 LEU 40 -6.490 3.022 -4.304 703 3HD2 LEU 40 3HD2 LEU 40 -7.579 2.271 -5.470 704 H GLU 41 H GLU 41 -5.147 -1.919 -0.277 705 HA GLU 41 HA GLU 41 -7.031 -0.855 1.803 706 1HB GLU 41 1HB GLU 41 -6.122 -3.691 1.230 707 2HB GLU 41 2HB GLU 41 -7.048 -3.227 2.656 708 1HG GLU 41 1HG GLU 41 -8.139 -2.313 0.053 709 2HG GLU 41 2HG GLU 41 -8.206 -4.050 0.351 710 H PHE 42 H PHE 42 -4.023 -0.518 0.983 711 HA PHE 42 HA PHE 42 -2.332 -1.601 2.972 712 1HB PHE 42 1HB PHE 42 -0.885 0.359 2.309 713 2HB PHE 42 2HB PHE 42 -1.484 -0.594 0.956 714 HD1 PHE 42 HD1 PHE 42 -2.448 2.382 3.057 715 HD2 PHE 42 HD2 PHE 42 -2.536 0.512 -0.839 716 HE1 PHE 42 HE1 PHE 42 -3.524 4.413 2.099 717 HE2 PHE 42 HE2 PHE 42 -3.603 2.535 -1.781 718 HZ PHE 42 HZ PHE 42 -4.097 4.492 -0.321 719 H GLU 43 H GLU 43 -4.832 0.732 3.416 720 HA GLU 43 HA GLU 43 -3.807 2.556 5.279 721 1HB GLU 43 1HB GLU 43 -6.108 2.550 4.437 722 2HB GLU 43 2HB GLU 43 -6.431 1.022 5.257 723 1HG GLU 43 1HG GLU 43 -5.610 2.400 7.383 724 2HG GLU 43 2HG GLU 43 -6.147 3.766 6.406 725 H GLU 44 H GLU 44 -5.518 -0.414 6.261 726 HA GLU 44 HA GLU 44 -4.128 -0.460 8.851 727 1HB GLU 44 1HB GLU 44 -5.579 -2.463 9.166 728 2HB GLU 44 2HB GLU 44 -6.501 -1.072 8.596 729 1HG GLU 44 1HG GLU 44 -6.752 -1.946 6.447 730 2HG GLU 44 2HG GLU 44 -5.336 -2.987 6.598 731 H ALA 45 H ALA 45 -3.691 -1.822 5.690 732 HA ALA 45 HA ALA 45 -2.158 -4.163 6.488 733 1HB ALA 45 1HB ALA 45 -3.198 -2.837 4.103 734 2HB ALA 45 3HB ALA 45 -1.581 -3.489 3.834 735 3HB ALA 45 2HB ALA 45 -2.881 -4.549 4.380 736 H ALA 46 H ALA 46 -1.223 -1.090 4.894 737 HA ALA 46 HA ALA 46 1.518 -1.346 4.707 738 1HB ALA 46 1HB ALA 46 1.499 1.172 5.148 739 2HB ALA 46 3HB ALA 46 0.389 0.602 3.901 740 3HB ALA 46 2HB ALA 46 -0.216 0.997 5.511 741 H GLN 47 H GLN 47 -0.329 -0.834 7.678 742 HA GLN 47 HA GLN 47 1.733 0.000 9.427 743 1HB GLN 47 2HB GLN 47 -0.578 -1.911 9.908 744 2HB GLN 47 1HB GLN 47 0.283 -1.007 11.155 745 1HG GLN 47 1HG GLN 47 -0.352 1.067 9.634 746 2HG GLN 47 2HG GLN 47 -1.631 -0.012 9.077 747 2HE2 GLN 47 2HE2 GLN 47 -0.159 0.478 12.339 748 1HE2 GLN 47 1HE2 GLN 47 -1.635 0.780 13.119 749 H ILE 48 H ILE 48 0.973 -3.206 8.134 750 HA ILE 48 HA ILE 48 2.477 -4.887 9.808 751 HB ILE 48 HB ILE 48 2.092 -4.867 6.798 752 1HG1 ILE 48 2HG1 ILE 48 0.008 -4.907 8.105 753 2HG1 ILE 48 1HG1 ILE 48 0.272 -6.468 7.328 754 1HG2 ILE 48 1HG2 ILE 48 3.666 -6.610 8.488 755 2HG2 ILE 48 2HG2 ILE 48 2.336 -7.506 7.756 756 3HG2 ILE 48 3HG2 ILE 48 3.480 -6.638 6.735 757 1HD1 ILE 48 1HD1 ILE 48 1.511 -7.036 9.593 758 2HD1 ILE 48 2HD1 ILE 48 0.509 -5.729 10.225 759 3HD1 ILE 48 3HD1 ILE 48 -0.247 -7.144 9.491 760 H ARG 49 H ARG 49 3.574 -2.676 7.279 761 HA ARG 49 HA ARG 49 6.226 -3.458 6.855 762 1HB ARG 49 1HB ARG 49 5.279 -1.633 5.652 763 2HB ARG 49 2HB ARG 49 4.835 -0.783 7.126 764 1HG ARG 49 1HG ARG 49 7.669 -1.192 7.167 765 2HG ARG 49 2HG ARG 49 7.234 -0.532 5.594 766 1HD ARG 49 1HD ARG 49 7.675 1.273 7.259 767 2HD ARG 49 2HD ARG 49 5.991 1.304 6.700 768 HE ARG 49 HE ARG 49 5.476 -0.084 8.794 769 1HH1 ARG 49 1HH1 ARG 49 8.518 -0.101 9.449 770 2HH1 ARG 49 2HH1 ARG 49 8.553 1.047 10.746 771 1HH2 ARG 49 1HH2 ARG 49 5.388 2.296 10.077 772 2HH2 ARG 49 2HH2 ARG 49 6.780 2.404 11.101 773 H ASP 50 H ASP 50 4.795 -1.966 9.709 774 HA ASP 50 HA ASP 50 7.264 -1.233 11.023 775 1HB ASP 50 1HB ASP 50 4.880 -0.444 11.478 776 2HB ASP 50 2HB ASP 50 4.602 -2.001 12.259 777 H GLN 51 H GLN 51 5.181 -4.121 11.070 778 HA GLN 51 HA GLN 51 6.860 -5.524 13.024 779 1HB GLN 51 2HB GLN 51 4.685 -6.521 11.151 780 2HB GLN 51 1HB GLN 51 5.252 -7.321 12.617 781 1HG GLN 51 1HG GLN 51 4.447 -5.461 13.986 782 2HG GLN 51 2HG GLN 51 3.959 -4.578 12.537 783 2HE2 GLN 51 2HE2 GLN 51 3.515 -8.041 13.458 784 1HE2 GLN 51 1HE2 GLN 51 1.829 -8.024 13.274 785 H LEU 52 H LEU 52 6.532 -5.353 9.518 786 HA LEU 52 HA LEU 52 8.040 -7.696 8.829 787 1HB LEU 52 1HB LEU 52 6.883 -5.313 7.600 788 2HB LEU 52 2HB LEU 52 8.405 -5.766 6.833 789 HG LEU 52 HG LEU 52 6.452 -6.888 5.772 790 1HD1 LEU 52 1HD1 LEU 52 8.793 -8.192 6.932 791 2HD1 LEU 52 2HD1 LEU 52 7.466 -9.326 6.679 792 3HD1 LEU 52 3HD1 LEU 52 8.088 -8.381 5.326 793 1HD2 LEU 52 1HD2 LEU 52 5.539 -7.130 8.376 794 2HD2 LEU 52 2HD2 LEU 52 4.866 -7.972 6.981 795 3HD2 LEU 52 3HD2 LEU 52 6.065 -8.770 7.997 796 H HIS 53 H HIS 53 8.992 -4.304 9.386 797 HA HIS 53 HA HIS 53 11.790 -4.732 8.720 798 1HB HIS 53 1HB HIS 53 10.173 -2.600 8.893 799 2HB HIS 53 2HB HIS 53 10.862 -2.529 10.515 800 HD1 HIS 53 HD1 HIS 53 13.648 -2.784 10.479 801 HD2 HIS 53 HD2 HIS 53 11.786 -1.357 7.032 802 HE1 HIS 53 HE1 HIS 53 15.443 -1.618 9.125 803 H GLN 54 H GLN 54 9.912 -4.614 11.747 804 HA GLN 54 HA GLN 54 12.132 -4.778 13.554 805 1HB GLN 54 1HB GLN 54 9.770 -4.124 14.071 806 2HB GLN 54 2HB GLN 54 9.290 -5.807 13.844 807 1HG GLN 54 1HG GLN 54 10.017 -6.376 15.902 808 2HG GLN 54 2HG GLN 54 11.571 -5.582 15.641 809 2HE2 GLN 54 2HE2 GLN 54 11.805 -3.364 16.359 810 1HE2 GLN 54 1HE2 GLN 54 10.639 -2.606 17.331 811 H LEU 55 H LEU 55 9.933 -7.344 12.341 812 HA LEU 55 HA LEU 55 11.294 -9.535 13.572 813 1HB LEU 55 1HB LEU 55 9.379 -9.084 11.314 814 2HB LEU 55 2HB LEU 55 10.122 -10.678 11.464 815 HG LEU 55 HG LEU 55 9.257 -9.746 14.058 816 1HD1 LEU 55 1HD1 LEU 55 7.420 -9.313 11.771 817 2HD1 LEU 55 2HD1 LEU 55 6.730 -10.177 13.145 818 3HD1 LEU 55 3HD1 LEU 55 7.422 -8.570 13.372 819 1HD2 LEU 55 1HD2 LEU 55 8.695 -12.067 12.215 820 2HD2 LEU 55 2HD2 LEU 55 9.570 -12.062 13.747 821 3HD2 LEU 55 3HD2 LEU 55 7.814 -11.891 13.732 822 H ARG 56 H ARG 56 11.835 -7.823 10.524 823 HA ARG 56 HA ARG 56 13.570 -9.681 9.243 824 1HB ARG 56 1HB ARG 56 12.564 -7.695 8.195 825 2HB ARG 56 2HB ARG 56 13.517 -6.644 9.244 826 1HG ARG 56 1HG ARG 56 15.475 -8.220 8.173 827 2HG ARG 56 2HG ARG 56 14.336 -8.134 6.828 828 1HD ARG 56 1HD ARG 56 14.308 -5.624 7.099 829 2HD ARG 56 2HD ARG 56 15.620 -5.799 8.282 830 HE ARG 56 HE ARG 56 16.322 -7.293 5.965 831 1HH1 ARG 56 1HH1 ARG 56 15.098 -4.697 4.849 832 2HH1 ARG 56 2HH1 ARG 56 16.521 -3.727 4.666 833 1HH2 ARG 56 1HH2 ARG 56 18.489 -5.768 6.662 834 2HH2 ARG 56 2HH2 ARG 56 18.441 -4.333 5.692 835 H GLU 57 H GLU 57 14.342 -6.962 11.444 836 HA GLU 57 HA GLU 57 17.147 -7.162 11.468 837 1HB GLU 57 1HB GLU 57 15.710 -5.426 12.549 838 2HB GLU 57 2HB GLU 57 15.271 -6.602 13.788 839 1HG GLU 57 2HG GLU 57 17.047 -5.508 14.824 840 2HG GLU 57 1HG GLU 57 17.884 -6.854 14.049 841 H LEU 58 H LEU 58 14.741 -9.154 13.136 842 HA LEU 58 HA LEU 58 16.667 -10.554 14.812 843 1HB LEU 58 1HB LEU 58 13.775 -10.785 14.036 844 2HB LEU 58 2HB LEU 58 14.542 -12.131 14.880 845 HG LEU 58 HG LEU 58 14.890 -9.342 15.937 846 1HD1 LEU 58 1HD1 LEU 58 12.432 -11.076 16.111 847 2HD1 LEU 58 2HD1 LEU 58 12.852 -9.982 17.429 848 3HD1 LEU 58 3HD1 LEU 58 12.541 -9.341 15.816 849 1HD2 LEU 58 1HD2 LEU 58 16.078 -11.499 16.757 850 2HD2 LEU 58 2HD2 LEU 58 15.332 -10.461 17.972 851 3HD2 LEU 58 3HD2 LEU 58 14.511 -11.929 17.444 852 H PHE 59 H PHE 59 15.227 -11.089 11.623 853 HA PHE 59 HA PHE 59 15.870 -13.802 11.192 854 1HB PHE 59 1HB PHE 59 14.550 -12.214 9.743 855 2HB PHE 59 2HB PHE 59 16.080 -11.509 9.217 856 HD1 PHE 59 HD1 PHE 59 14.219 -14.760 9.420 857 HD2 PHE 59 HD2 PHE 59 17.326 -12.492 7.460 858 HE1 PHE 59 HE1 PHE 59 14.476 -16.573 7.728 859 HE2 PHE 59 HE2 PHE 59 17.583 -14.305 5.768 860 HZ PHE 59 HZ PHE 59 16.158 -16.345 5.902 861 H ILE 60 H ILE 60 17.902 -10.907 10.655 862 HA ILE 60 HA ILE 60 20.189 -12.264 9.610 863 HB ILE 60 HB ILE 60 19.874 -9.709 11.220 864 1HG1 ILE 60 1HG1 ILE 60 20.163 -10.085 8.227 865 2HG1 ILE 60 2HG1 ILE 60 18.597 -9.964 9.031 866 1HG2 ILE 60 1HG2 ILE 60 22.218 -10.584 11.168 867 2HG2 ILE 60 2HG2 ILE 60 22.148 -10.568 9.405 868 3HG2 ILE 60 3HG2 ILE 60 22.037 -9.056 10.306 869 1HD1 ILE 60 1HD1 ILE 60 20.785 -7.880 9.262 870 2HD1 ILE 60 2HD1 ILE 60 19.433 -7.771 8.135 871 3HD1 ILE 60 3HD1 ILE 60 19.135 -7.754 9.874 872 H ALA 61 H ALA 61 19.269 -11.425 12.954 873 HA ALA 61 HA ALA 61 21.666 -12.284 14.243 874 1HB ALA 61 1HB ALA 61 19.615 -10.951 15.084 875 2HB ALA 61 3HB ALA 61 20.349 -12.089 16.214 876 3HB ALA 61 2HB ALA 61 18.868 -12.523 15.361 877 H ALA 62 H ALA 62 19.038 -14.082 12.827 878 HA ALA 62 HA ALA 62 19.923 -16.590 14.189 879 1HB ALA 62 1HB ALA 62 17.616 -16.660 12.368 880 2HB ALA 62 3HB ALA 62 17.449 -15.470 13.658 881 3HB ALA 62 2HB ALA 62 17.726 -17.166 14.054 882 H SER 63 H SER 63 18.874 -15.583 10.904 883 HA SER 63 HA SER 63 20.412 -17.792 9.699 884 1HB SER 63 1HB SER 63 18.119 -17.045 8.983 885 2HB SER 63 2HB SER 63 18.828 -15.524 8.449 886 HG SER 63 HG SER 63 20.227 -16.835 7.106 No H/Q in entry = 886 Start of MODEL 11 1 H LEU 8 H LEU 8 -26.733 1.702 -6.483 2 HA LEU 8 HA LEU 8 -27.167 2.603 -8.923 3 1HB LEU 8 1HB LEU 8 -25.346 3.490 -6.776 4 2HB LEU 8 2HB LEU 8 -25.024 4.229 -8.345 5 HG LEU 8 HG LEU 8 -27.871 4.145 -7.861 6 1HD1 LEU 8 1HD1 LEU 8 -27.048 4.167 -5.466 7 2HD1 LEU 8 2HD1 LEU 8 -26.271 5.711 -5.820 8 3HD1 LEU 8 3HD1 LEU 8 -28.027 5.563 -5.919 9 1HD2 LEU 8 1HD2 LEU 8 -25.738 6.188 -8.419 10 2HD2 LEU 8 2HD2 LEU 8 -27.116 5.722 -9.415 11 3HD2 LEU 8 3HD2 LEU 8 -27.360 6.726 -7.985 12 H GLU 9 H GLU 9 -26.524 1.778 -10.883 13 HA GLU 9 HA GLU 9 -23.594 1.527 -11.404 14 1HB GLU 9 1HB GLU 9 -25.005 -0.631 -10.745 15 2HB GLU 9 2HB GLU 9 -25.495 -0.547 -12.438 16 1HG GLU 9 1HG GLU 9 -22.893 -0.228 -12.833 17 2HG GLU 9 2HG GLU 9 -22.782 -1.046 -11.273 18 HA PRO 10 HA PRO 10 -26.022 3.617 -14.789 19 1HB PRO 10 1HB PRO 10 -24.463 5.860 -14.941 20 2HB PRO 10 2HB PRO 10 -25.849 5.720 -13.841 21 1HG PRO 10 2HG PRO 10 -22.943 5.443 -13.269 22 2HG PRO 10 1HG PRO 10 -24.222 6.177 -12.291 23 1HD PRO 10 1HD PRO 10 -23.197 3.687 -11.827 24 2HD PRO 10 2HD PRO 10 -24.842 4.181 -11.369 25 H ASP 11 H ASP 11 -22.472 3.798 -14.332 26 HA ASP 11 HA ASP 11 -20.701 3.215 -15.775 27 1HB ASP 11 1HB ASP 11 -22.906 1.373 -16.184 28 2HB ASP 11 2HB ASP 11 -22.004 1.595 -17.683 29 H ASN 12 H ASN 12 -23.248 2.983 -18.232 30 HA ASN 12 HA ASN 12 -22.314 5.560 -19.426 31 1HB ASN 12 1HB ASN 12 -21.217 3.326 -20.266 32 2HB ASN 12 2HB ASN 12 -22.755 3.097 -21.100 33 2HD2 ASN 12 2HD2 ASN 12 -23.461 5.488 -22.112 34 1HD2 ASN 12 1HD2 ASN 12 -22.240 6.168 -23.077 35 H VAL 13 H VAL 13 -24.837 4.457 -18.054 36 HA VAL 13 HA VAL 13 -26.860 4.331 -20.148 37 HB VAL 13 HB VAL 13 -26.674 4.270 -17.163 38 1HG1 VAL 13 1HG1 VAL 13 -29.107 5.144 -18.692 39 2HG1 VAL 13 2HG1 VAL 13 -29.312 4.100 -17.286 40 3HG1 VAL 13 3HG1 VAL 13 -28.536 5.674 -17.109 41 1HG2 VAL 13 1HG2 VAL 13 -27.602 2.560 -19.416 42 2HG2 VAL 13 2HG2 VAL 13 -26.654 2.130 -17.992 43 3HG2 VAL 13 3HG2 VAL 13 -28.400 2.344 -17.858 44 HA PRO 14 HA PRO 14 -27.933 8.744 -18.702 45 1HB PRO 14 1HB PRO 14 -26.342 9.968 -16.846 46 2HB PRO 14 2HB PRO 14 -27.734 8.958 -16.405 47 1HG PRO 14 2HG PRO 14 -24.836 8.301 -16.379 48 2HG PRO 14 1HG PRO 14 -26.118 7.814 -15.259 49 1HD PRO 14 1HD PRO 14 -25.096 6.194 -17.219 50 2HD PRO 14 2HD PRO 14 -26.723 6.030 -16.526 51 H MET 15 H MET 15 -24.391 8.345 -18.356 52 HA MET 15 HA MET 15 -22.614 9.352 -19.534 53 1HB MET 15 1HB MET 15 -23.952 8.097 -21.296 54 2HB MET 15 2HB MET 15 -24.732 9.631 -21.684 55 1HG MET 15 1HG MET 15 -22.897 9.394 -23.213 56 2HG MET 15 2HG MET 15 -22.409 10.600 -22.023 57 1HE MET 15 1HE MET 15 -20.242 10.557 -22.591 58 2HE MET 15 2HE MET 15 -19.007 9.387 -22.127 59 3HE MET 15 3HE MET 15 -19.905 9.179 -23.637 60 H ASP 16 H ASP 16 -22.293 11.325 -18.426 61 HA ASP 16 HA ASP 16 -23.927 13.655 -19.330 62 1HB ASP 16 1HB ASP 16 -24.108 13.151 -16.970 63 2HB ASP 16 2HB ASP 16 -22.354 13.080 -16.812 64 H MET 17 H MET 17 -20.867 13.926 -17.699 65 HA MET 17 HA MET 17 -19.184 14.305 -20.003 66 1HB MET 17 2HB MET 17 -19.139 16.784 -19.971 67 2HB MET 17 1HB MET 17 -20.756 16.184 -20.336 68 1HG MET 17 1HG MET 17 -21.440 16.514 -18.013 69 2HG MET 17 2HG MET 17 -19.809 17.023 -17.581 70 1HE MET 17 1HE MET 17 -21.992 18.602 -16.693 71 2HE MET 17 2HE MET 17 -20.454 19.458 -16.629 72 3HE MET 17 3HE MET 17 -21.876 20.265 -17.283 73 H SER 18 H SER 18 -19.859 15.123 -16.618 74 HA SER 18 HA SER 18 -18.419 15.211 -14.750 75 1HB SER 18 1HB SER 18 -16.358 13.964 -16.577 76 2HB SER 18 2HB SER 18 -16.542 13.746 -14.839 77 HG SER 18 HG SER 18 -17.607 12.318 -16.798 78 HA PRO 19 HA PRO 19 -16.054 18.854 -15.308 79 1HB PRO 19 1HB PRO 19 -14.244 18.692 -13.263 80 2HB PRO 19 2HB PRO 19 -15.962 19.063 -13.010 81 1HG PRO 19 2HG PRO 19 -14.518 16.479 -12.678 82 2HG PRO 19 1HG PRO 19 -15.787 17.198 -11.673 83 1HD PRO 19 1HD PRO 19 -16.256 15.212 -13.465 84 2HD PRO 19 2HD PRO 19 -17.471 16.435 -13.030 85 H LYS 20 H LYS 20 -14.576 15.796 -15.552 86 HA LYS 20 HA LYS 20 -12.713 15.049 -16.787 87 1HB LYS 20 1HB LYS 20 -13.790 16.903 -18.280 88 2HB LYS 20 2HB LYS 20 -12.407 17.878 -17.784 89 1HG LYS 20 1HG LYS 20 -12.225 15.134 -19.066 90 2HG LYS 20 2HG LYS 20 -11.970 16.664 -19.908 91 1HD LYS 20 1HD LYS 20 -10.276 17.033 -17.852 92 2HD LYS 20 2HD LYS 20 -10.225 15.272 -17.938 93 1HE LYS 20 1HE LYS 20 -9.991 15.832 -20.574 94 2HE LYS 20 2HE LYS 20 -9.229 17.284 -19.894 95 1HZ LYS 20 1HZ LYS 20 -7.973 15.761 -18.391 96 2HZ LYS 20 2HZ LYS 20 -8.557 14.454 -19.299 97 3HZ LYS 20 3HZ LYS 20 -7.557 15.615 -20.032 98 H ALA 21 H ALA 21 -11.764 18.445 -16.066 99 HA ALA 21 HA ALA 21 -9.074 18.031 -15.479 100 1HB ALA 21 1HB ALA 21 -10.753 20.117 -15.456 101 2HB ALA 21 2HB ALA 21 -9.195 20.185 -14.633 102 3HB ALA 21 3HB ALA 21 -10.664 19.850 -13.716 103 H LEU 22 H LEU 22 -11.735 17.981 -13.088 104 HA LEU 22 HA LEU 22 -10.113 17.066 -10.885 105 1HB LEU 22 1HB LEU 22 -12.316 18.259 -10.801 106 2HB LEU 22 2HB LEU 22 -13.091 16.819 -11.442 107 HG LEU 22 HG LEU 22 -11.497 16.852 -8.864 108 1HD1 LEU 22 1HD1 LEU 22 -14.472 17.072 -9.379 109 2HD1 LEU 22 2HD1 LEU 22 -13.753 16.808 -7.789 110 3HD1 LEU 22 3HD1 LEU 22 -13.443 18.312 -8.659 111 1HD2 LEU 22 1HD2 LEU 22 -13.188 14.839 -10.336 112 2HD2 LEU 22 2HD2 LEU 22 -11.636 14.606 -9.531 113 3HD2 LEU 22 3HD2 LEU 22 -13.108 14.779 -8.574 114 H GLN 23 H GLN 23 -12.750 15.300 -12.512 115 HA GLN 23 HA GLN 23 -12.251 12.708 -11.696 116 1HB GLN 23 1HB GLN 23 -14.118 13.474 -13.111 117 2HB GLN 23 2HB GLN 23 -13.011 13.692 -14.467 118 1HG GLN 23 1HG GLN 23 -12.419 11.149 -13.927 119 2HG GLN 23 2HG GLN 23 -14.048 11.164 -13.253 120 2HE2 GLN 23 2HE2 GLN 23 -15.369 10.235 -14.838 121 1HE2 GLN 23 1HE2 GLN 23 -15.370 10.680 -16.476 122 H GLN 24 H GLN 24 -10.388 14.534 -14.080 123 HA GLN 24 HA GLN 24 -8.884 12.204 -15.025 124 1HB GLN 24 1HB GLN 24 -9.403 14.257 -16.360 125 2HB GLN 24 2HB GLN 24 -8.357 15.183 -15.283 126 1HG GLN 24 1HG GLN 24 -7.159 12.723 -16.426 127 2HG GLN 24 2HG GLN 24 -7.480 14.022 -17.576 128 2HE2 GLN 24 2HE2 GLN 24 -4.894 12.950 -16.148 129 1HE2 GLN 24 1HE2 GLN 24 -4.150 14.373 -15.598 130 H LYS 25 H LYS 25 -8.465 14.747 -12.605 131 HA LYS 25 HA LYS 25 -5.659 14.225 -12.087 132 1HB LYS 25 1HB LYS 25 -7.934 15.743 -10.872 133 2HB LYS 25 2HB LYS 25 -6.504 15.465 -9.878 134 1HG LYS 25 1HG LYS 25 -5.169 16.807 -11.176 135 2HG LYS 25 2HG LYS 25 -6.028 16.402 -12.662 136 1HD LYS 25 2HD LYS 25 -7.128 18.357 -12.495 137 2HD LYS 25 1HD LYS 25 -7.900 17.746 -11.032 138 1HE LYS 25 1HE LYS 25 -6.441 18.876 -9.624 139 2HE LYS 25 2HE LYS 25 -5.116 18.843 -10.805 140 1HZ LYS 25 1HZ LYS 25 -6.383 20.359 -12.208 141 2HZ LYS 25 2HZ LYS 25 -7.623 20.423 -11.047 142 3HZ LYS 25 3HZ LYS 25 -6.090 21.052 -10.685 143 H ILE 26 H ILE 26 -8.669 13.356 -10.341 144 HA ILE 26 HA ILE 26 -7.455 11.821 -8.273 145 HB ILE 26 HB ILE 26 -10.145 11.599 -9.661 146 1HG1 ILE 26 1HG1 ILE 26 -9.289 13.047 -7.133 147 2HG1 ILE 26 2HG1 ILE 26 -9.628 13.821 -8.681 148 1HG2 ILE 26 1HG2 ILE 26 -9.466 9.587 -8.289 149 2HG2 ILE 26 2HG2 ILE 26 -9.367 10.655 -6.889 150 3HG2 ILE 26 3HG2 ILE 26 -10.912 10.412 -7.705 151 1HD1 ILE 26 1HD1 ILE 26 -11.935 12.741 -8.572 152 2HD1 ILE 26 2HD1 ILE 26 -11.563 12.329 -6.898 153 3HD1 ILE 26 3HD1 ILE 26 -11.636 14.020 -7.394 154 H HIS 27 H HIS 27 -8.741 10.792 -11.452 155 HA HIS 27 HA HIS 27 -8.265 8.006 -11.193 156 1HB HIS 27 1HB HIS 27 -9.392 9.623 -13.011 157 2HB HIS 27 2HB HIS 27 -7.835 9.393 -13.804 158 HD1 HIS 27 HD1 HIS 27 -7.321 6.446 -12.940 159 HD2 HIS 27 HD2 HIS 27 -10.922 7.830 -14.518 160 HE1 HIS 27 HE1 HIS 27 -8.502 4.425 -13.909 161 H GLU 28 H GLU 28 -6.041 10.648 -11.730 162 HA GLU 28 HA GLU 28 -3.879 8.985 -12.797 163 1HB GLU 28 1HB GLU 28 -4.194 11.817 -11.789 164 2HB GLU 28 2HB GLU 28 -2.622 11.184 -12.278 165 1HG GLU 28 1HG GLU 28 -5.043 10.993 -14.074 166 2HG GLU 28 2HG GLU 28 -3.984 12.404 -14.085 167 H LEU 29 H LEU 29 -4.836 10.260 -9.627 168 HA LEU 29 HA LEU 29 -2.376 9.417 -8.294 169 1HB LEU 29 1HB LEU 29 -5.115 10.355 -7.396 170 2HB LEU 29 2HB LEU 29 -3.799 10.018 -6.270 171 HG LEU 29 HG LEU 29 -3.289 11.835 -8.601 172 1HD1 LEU 29 1HD1 LEU 29 -4.909 12.444 -6.140 173 2HD1 LEU 29 2HD1 LEU 29 -3.898 13.697 -6.858 174 3HD1 LEU 29 3HD1 LEU 29 -5.186 12.954 -7.806 175 1HD2 LEU 29 1HD2 LEU 29 -1.743 10.874 -6.553 176 2HD2 LEU 29 2HD2 LEU 29 -1.419 12.378 -7.414 177 3HD2 LEU 29 3HD2 LEU 29 -2.287 12.410 -5.881 178 H GLU 30 H GLU 30 -5.683 8.137 -8.624 179 HA GLU 30 HA GLU 30 -5.560 6.003 -6.776 180 1HB GLU 30 1HB GLU 30 -7.383 6.993 -8.467 181 2HB GLU 30 2HB GLU 30 -6.854 5.624 -9.446 182 1HG GLU 30 1HG GLU 30 -7.113 4.402 -7.040 183 2HG GLU 30 2HG GLU 30 -8.352 5.648 -6.885 184 H GLY 31 H GLY 31 -4.566 6.060 -10.215 185 1HA GLY 31 2HA GLY 31 -3.266 4.534 -11.444 186 2HA GLY 31 1HA GLY 31 -3.693 3.310 -10.246 187 H LEU 32 H LEU 32 -2.190 6.336 -9.315 188 HA LEU 32 HA LEU 32 0.553 5.618 -9.429 189 1HB LEU 32 1HB LEU 32 -0.995 7.750 -8.626 190 2HB LEU 32 2HB LEU 32 -0.320 7.193 -7.096 191 HG LEU 32 HG LEU 32 1.950 7.284 -8.058 192 1HD1 LEU 32 1HD1 LEU 32 0.448 7.443 -10.508 193 2HD1 LEU 32 2HD1 LEU 32 1.497 8.854 -10.380 194 3HD1 LEU 32 3HD1 LEU 32 2.186 7.232 -10.296 195 1HD2 LEU 32 1HD2 LEU 32 0.296 9.808 -8.374 196 2HD2 LEU 32 2HD2 LEU 32 1.150 9.281 -6.924 197 3HD2 LEU 32 3HD2 LEU 32 2.059 9.779 -8.350 198 H MET 33 H MET 33 -1.860 5.073 -6.853 199 HA MET 33 HA MET 33 -0.169 3.985 -4.863 200 1HB MET 33 1HB MET 33 -3.036 3.739 -5.695 201 2HB MET 33 2HB MET 33 -2.436 2.641 -4.452 202 1HG MET 33 1HG MET 33 -2.199 4.307 -2.908 203 2HG MET 33 2HG MET 33 -1.678 5.485 -4.112 204 1HE MET 33 1HE MET 33 -4.466 3.043 -4.019 205 2HE MET 33 2HE MET 33 -4.995 3.731 -2.487 206 3HE MET 33 3HE MET 33 -5.977 3.959 -3.932 207 H MET 34 H MET 34 -1.800 2.358 -7.592 208 HA MET 34 HA MET 34 -1.196 -0.323 -7.053 209 1HB MET 34 1HB MET 34 -2.439 0.957 -8.998 210 2HB MET 34 2HB MET 34 -0.878 0.827 -9.811 211 1HG MET 34 1HG MET 34 -1.558 -1.234 -10.450 212 2HG MET 34 2HG MET 34 -1.248 -1.716 -8.781 213 1HE MET 34 1HE MET 34 -2.461 -2.023 -7.168 214 2HE MET 34 2HE MET 34 -4.179 -1.710 -6.884 215 3HE MET 34 3HE MET 34 -3.668 -3.215 -7.643 216 H GLN 35 H GLN 35 0.922 2.166 -8.461 217 HA GLN 35 HA GLN 35 3.078 0.501 -9.267 218 1HB GLN 35 1HB GLN 35 2.861 2.837 -9.894 219 2HB GLN 35 2HB GLN 35 2.951 3.341 -8.206 220 1HG GLN 35 2HG GLN 35 5.187 3.483 -8.410 221 2HG GLN 35 1HG GLN 35 5.238 1.742 -8.682 222 2HE2 GLN 35 2HE2 GLN 35 4.512 4.763 -10.528 223 1HE2 GLN 35 1HE2 GLN 35 5.226 4.223 -11.970 224 H HIS 36 H HIS 36 3.423 2.653 -6.458 225 HA HIS 36 HA HIS 36 5.452 1.192 -5.170 226 1HB HIS 36 1HB HIS 36 3.398 3.224 -4.452 227 2HB HIS 36 2HB HIS 36 4.245 2.440 -3.119 228 HD1 HIS 36 HD1 HIS 36 5.458 4.767 -2.668 229 HD2 HIS 36 HD2 HIS 36 6.369 2.989 -6.327 230 HE1 HIS 36 HE1 HIS 36 7.517 5.950 -3.546 231 H ALA 37 H ALA 37 1.942 1.123 -4.397 232 HA ALA 37 HA ALA 37 1.877 -0.747 -2.338 233 1HB ALA 37 1HB ALA 37 -0.385 -1.292 -3.256 234 2HB ALA 37 3HB ALA 37 -0.068 0.443 -3.251 235 3HB ALA 37 2HB ALA 37 0.053 -0.471 -4.754 236 H GLN 38 H GLN 38 2.457 -1.343 -5.773 237 HA GLN 38 HA GLN 38 2.265 -4.260 -5.540 238 1HB GLN 38 1HB GLN 38 2.919 -2.189 -7.595 239 2HB GLN 38 2HB GLN 38 3.513 -3.825 -7.881 240 1HG GLN 38 1HG GLN 38 1.095 -4.576 -7.314 241 2HG GLN 38 2HG GLN 38 0.663 -2.888 -7.588 242 2HE2 GLN 38 2HE2 GLN 38 -0.422 -4.730 -9.357 243 1HE2 GLN 38 1HE2 GLN 38 0.345 -4.625 -10.866 244 H ASN 39 H ASN 39 4.805 -1.794 -5.516 245 HA ASN 39 HA ASN 39 6.923 -3.869 -5.284 246 1HB ASN 39 1HB ASN 39 6.783 -0.885 -5.714 247 2HB ASN 39 2HB ASN 39 8.309 -1.655 -5.278 248 2HD2 ASN 39 2HD2 ASN 39 8.553 -0.609 -7.695 249 1HD2 ASN 39 1HD2 ASN 39 8.329 -1.733 -8.945 250 H LEU 40 H LEU 40 4.841 -3.196 -3.155 251 HA LEU 40 HA LEU 40 4.775 -2.925 -0.819 252 1HB LEU 40 1HB LEU 40 7.608 -3.834 -1.381 253 2HB LEU 40 2HB LEU 40 6.976 -3.674 0.258 254 HG LEU 40 HG LEU 40 4.971 -5.105 -0.813 255 1HD1 LEU 40 1HD1 LEU 40 7.372 -5.523 -2.554 256 2HD1 LEU 40 2HD1 LEU 40 6.361 -6.917 -2.173 257 3HD1 LEU 40 3HD1 LEU 40 5.663 -5.517 -2.987 258 1HD2 LEU 40 1HD2 LEU 40 7.283 -5.612 0.814 259 2HD2 LEU 40 2HD2 LEU 40 5.718 -6.426 0.853 260 3HD2 LEU 40 3HD2 LEU 40 6.995 -7.020 -0.209 261 H GLU 41 H GLU 41 5.537 -0.575 -2.543 262 HA GLU 41 HA GLU 41 7.234 0.957 -0.609 263 1HB GLU 41 1HB GLU 41 6.468 1.332 -3.519 264 2HB GLU 41 2HB GLU 41 7.378 2.531 -2.599 265 1HG GLU 41 1HG GLU 41 8.824 0.314 -2.022 266 2HG GLU 41 2HG GLU 41 8.242 -0.114 -3.632 267 H PHE 42 H PHE 42 4.169 0.289 -0.648 268 HA PHE 42 HA PHE 42 2.676 2.642 -1.108 269 1HB PHE 42 1HB PHE 42 1.042 1.508 0.411 270 2HB PHE 42 2HB PHE 42 1.679 0.456 -0.849 271 HD1 PHE 42 HD1 PHE 42 2.485 1.518 2.688 272 HD2 PHE 42 HD2 PHE 42 2.458 -1.666 -0.233 273 HE1 PHE 42 HE1 PHE 42 3.276 -0.081 4.419 274 HE2 PHE 42 HE2 PHE 42 3.232 -3.261 1.504 275 HZ PHE 42 HZ PHE 42 3.642 -2.467 3.833 276 H GLU 43 H GLU 43 5.053 2.164 1.328 277 HA GLU 43 HA GLU 43 4.027 3.391 3.625 278 1HB GLU 43 1HB GLU 43 6.294 2.477 3.399 279 2HB GLU 43 2HB GLU 43 6.713 3.745 2.247 280 1HG GLU 43 1HG GLU 43 5.960 5.354 4.192 281 2HG GLU 43 2HG GLU 43 6.277 3.949 5.210 282 H GLU 44 H GLU 44 5.898 5.190 1.181 283 HA GLU 44 HA GLU 44 4.611 7.722 1.938 284 1HB GLU 44 1HB GLU 44 6.164 8.597 0.196 285 2HB GLU 44 2HB GLU 44 7.000 7.561 1.354 286 1HG GLU 44 1HG GLU 44 7.177 5.785 -0.165 287 2HG GLU 44 2HG GLU 44 5.856 6.384 -1.167 288 H ALA 45 H ALA 45 4.126 5.195 -0.389 289 HA ALA 45 HA ALA 45 2.736 6.774 -2.399 290 1HB ALA 45 1HB ALA 45 2.040 4.055 -2.593 291 2HB ALA 45 3HB ALA 45 3.663 4.064 -1.903 292 3HB ALA 45 2HB ALA 45 3.353 4.869 -3.443 293 H ALA 46 H ALA 46 1.599 4.398 0.044 294 HA ALA 46 HA ALA 46 -1.146 4.506 -0.470 295 1HB ALA 46 1HB ALA 46 0.475 4.215 2.061 296 2HB ALA 46 3HB ALA 46 -0.303 2.948 1.108 297 3HB ALA 46 2HB ALA 46 -1.278 4.061 2.067 298 H GLN 47 H GLN 47 0.884 6.976 0.970 299 HA GLN 47 HA GLN 47 -0.986 8.518 2.409 300 1HB GLN 47 1HB GLN 47 1.306 9.319 0.590 301 2HB GLN 47 2HB GLN 47 0.520 10.414 1.728 302 1HG GLN 47 1HG GLN 47 1.450 7.802 2.811 303 2HG GLN 47 2HG GLN 47 2.697 8.978 2.393 304 2HE2 GLN 47 2HE2 GLN 47 2.788 8.715 4.985 305 1HE2 GLN 47 1HE2 GLN 47 1.893 9.876 5.841 306 H ILE 48 H ILE 48 -0.530 8.172 -1.078 307 HA ILE 48 HA ILE 48 -2.028 10.362 -2.054 308 HB ILE 48 HB ILE 48 -1.821 7.482 -3.006 309 1HG1 ILE 48 1HG1 ILE 48 -0.305 9.876 -4.044 310 2HG1 ILE 48 2HG1 ILE 48 0.287 8.956 -2.660 311 1HG2 ILE 48 1HG2 ILE 48 -3.577 9.394 -3.939 312 2HG2 ILE 48 2HG2 ILE 48 -2.182 9.617 -4.994 313 3HG2 ILE 48 3HG2 ILE 48 -2.962 8.039 -4.886 314 1HD1 ILE 48 1HD1 ILE 48 -0.371 6.975 -4.476 315 2HD1 ILE 48 2HD1 ILE 48 0.285 8.247 -5.506 316 3HD1 ILE 48 3HD1 ILE 48 1.256 7.593 -4.187 317 H ARG 49 H ARG 49 -3.044 7.398 -0.488 318 HA ARG 49 HA ARG 49 -5.765 7.210 -1.187 319 1HB ARG 49 1HB ARG 49 -4.695 5.556 0.181 320 2HB ARG 49 2HB ARG 49 -4.214 6.755 1.376 321 1HG ARG 49 1HG ARG 49 -7.053 6.893 1.124 322 2HG ARG 49 2HG ARG 49 -6.612 5.195 1.298 323 1HD ARG 49 1HD ARG 49 -6.951 6.297 3.515 324 2HD ARG 49 2HD ARG 49 -5.278 5.740 3.312 325 HE ARG 49 HE ARG 49 -4.686 8.089 2.673 326 1HH1 ARG 49 1HH1 ARG 49 -7.923 8.360 2.672 327 2HH1 ARG 49 2HH1 ARG 49 -8.052 9.574 3.902 328 1HH2 ARG 49 1HH2 ARG 49 -4.751 9.272 4.920 329 2HH2 ARG 49 2HH2 ARG 49 -6.256 10.090 5.173 330 H ASP 50 H ASP 50 -4.146 9.441 1.041 331 HA ASP 50 HA ASP 50 -6.516 10.592 2.204 332 1HB ASP 50 1HB ASP 50 -4.112 10.715 3.007 333 2HB ASP 50 2HB ASP 50 -3.807 11.867 1.706 334 H GLN 51 H GLN 51 -4.616 11.292 -0.709 335 HA GLN 51 HA GLN 51 -6.081 13.724 -1.381 336 1HB GLN 51 2HB GLN 51 -4.362 11.868 -3.064 337 2HB GLN 51 1HB GLN 51 -4.759 13.545 -3.441 338 1HG GLN 51 1HG GLN 51 -3.556 14.327 -1.479 339 2HG GLN 51 2HG GLN 51 -3.259 12.667 -0.958 340 2HE2 GLN 51 2HE2 GLN 51 -2.981 14.105 -4.249 341 1HE2 GLN 51 1HE2 GLN 51 -1.343 13.706 -4.446 342 H LEU 52 H LEU 52 -6.228 10.298 -2.321 343 HA LEU 52 HA LEU 52 -8.212 10.588 -4.389 344 1HB LEU 52 1HB LEU 52 -6.623 8.593 -3.178 345 2HB LEU 52 2HB LEU 52 -8.292 8.065 -2.960 346 HG LEU 52 HG LEU 52 -7.363 7.241 -5.099 347 1HD1 LEU 52 1HD1 LEU 52 -9.477 9.400 -5.392 348 2HD1 LEU 52 2HD1 LEU 52 -9.166 8.120 -6.565 349 3HD1 LEU 52 3HD1 LEU 52 -9.768 7.715 -4.958 350 1HD2 LEU 52 1HD2 LEU 52 -6.210 9.809 -5.184 351 2HD2 LEU 52 2HD2 LEU 52 -6.113 8.567 -6.432 352 3HD2 LEU 52 3HD2 LEU 52 -7.388 9.785 -6.496 353 H HIS 53 H HIS 53 -8.427 9.806 -0.909 354 HA HIS 53 HA HIS 53 -11.309 9.516 -0.889 355 1HB HIS 53 1HB HIS 53 -9.648 8.552 0.737 356 2HB HIS 53 2HB HIS 53 -9.377 10.182 1.354 357 HD1 HIS 53 HD1 HIS 53 -11.662 7.309 1.610 358 HD2 HIS 53 HD2 HIS 53 -11.790 11.367 2.556 359 HE1 HIS 53 HE1 HIS 53 -13.634 7.620 3.169 360 H GLN 54 H GLN 54 -9.073 12.185 -0.122 361 HA GLN 54 HA GLN 54 -11.093 14.022 0.806 362 1HB GLN 54 1HB GLN 54 -8.701 14.214 1.314 363 2HB GLN 54 2HB GLN 54 -8.334 14.416 -0.400 364 1HG GLN 54 1HG GLN 54 -8.959 16.599 -0.399 365 2HG GLN 54 2HG GLN 54 -10.366 16.289 0.619 366 2HE2 GLN 54 2HE2 GLN 54 -8.389 18.480 0.965 367 1HE2 GLN 54 1HE2 GLN 54 -7.700 18.255 2.499 368 H LEU 55 H LEU 55 -9.495 13.570 -2.363 369 HA LEU 55 HA LEU 55 -10.762 15.709 -3.748 370 1HB LEU 55 1HB LEU 55 -9.487 13.081 -4.422 371 2HB LEU 55 2HB LEU 55 -10.332 13.953 -5.700 372 HG LEU 55 HG LEU 55 -8.489 15.553 -4.002 373 1HD1 LEU 55 1HD1 LEU 55 -7.635 13.118 -5.276 374 2HD1 LEU 55 2HD1 LEU 55 -6.922 14.493 -6.120 375 3HD1 LEU 55 3HD1 LEU 55 -6.664 14.292 -4.387 376 1HD2 LEU 55 1HD2 LEU 55 -9.520 15.465 -6.805 377 2HD2 LEU 55 2HD2 LEU 55 -9.359 16.840 -5.712 378 3HD2 LEU 55 3HD2 LEU 55 -7.939 16.202 -6.543 379 H ARG 56 H ARG 56 -11.967 12.586 -2.741 380 HA ARG 56 HA ARG 56 -14.074 12.111 -4.544 381 1HB ARG 56 1HB ARG 56 -13.351 10.621 -2.718 382 2HB ARG 56 2HB ARG 56 -13.959 11.771 -1.529 383 1HG ARG 56 1HG ARG 56 -16.182 11.477 -3.033 384 2HG ARG 56 2HG ARG 56 -15.453 9.889 -3.277 385 1HD ARG 56 1HD ARG 56 -15.367 9.489 -0.881 386 2HD ARG 56 2HD ARG 56 -15.913 11.145 -0.548 387 HE ARG 56 HE ARG 56 -17.854 10.125 -2.254 388 1HH1 ARG 56 1HH1 ARG 56 -17.873 7.475 -1.454 389 2HH1 ARG 56 2HH1 ARG 56 -18.657 7.428 0.088 390 1HH2 ARG 56 1HH2 ARG 56 -18.253 10.818 0.695 391 2HH2 ARG 56 2HH2 ARG 56 -18.873 9.320 1.305 392 H GLU 57 H GLU 57 -14.133 14.116 -1.575 393 HA GLU 57 HA GLU 57 -16.852 14.976 -1.808 394 1HB GLU 57 2HB GLU 57 -14.453 16.410 -0.621 395 2HB GLU 57 1HB GLU 57 -16.142 16.659 -0.179 396 1HG GLU 57 1HG GLU 57 -16.062 14.042 0.262 397 2HG GLU 57 2HG GLU 57 -14.336 14.358 0.453 398 H LEU 58 H LEU 58 -13.803 16.462 -2.935 399 HA LEU 58 HA LEU 58 -14.869 18.856 -4.016 400 1HB LEU 58 1HB LEU 58 -12.457 17.209 -4.169 401 2HB LEU 58 2HB LEU 58 -12.772 18.067 -5.678 402 HG LEU 58 HG LEU 58 -13.012 19.551 -3.082 403 1HD1 LEU 58 1HD1 LEU 58 -10.775 18.208 -3.302 404 2HD1 LEU 58 2HD1 LEU 58 -10.386 19.398 -4.545 405 3HD1 LEU 58 3HD1 LEU 58 -10.705 19.922 -2.891 406 1HD2 LEU 58 1HD2 LEU 58 -12.743 20.107 -5.976 407 2HD2 LEU 58 2HD2 LEU 58 -13.552 21.045 -4.721 408 3HD2 LEU 58 3HD2 LEU 58 -11.804 21.166 -4.926 409 H PHE 59 H PHE 59 -15.082 15.570 -5.163 410 HA PHE 59 HA PHE 59 -15.454 15.879 -7.935 411 1HB PHE 59 1HB PHE 59 -15.396 13.791 -6.453 412 2HB PHE 59 2HB PHE 59 -17.101 14.098 -6.121 413 HD1 PHE 59 HD1 PHE 59 -18.627 14.514 -8.249 414 HD2 PHE 59 HD2 PHE 59 -14.813 12.490 -8.320 415 HE1 PHE 59 HE1 PHE 59 -19.247 13.423 -10.403 416 HE2 PHE 59 HE2 PHE 59 -15.433 11.399 -10.474 417 HZ PHE 59 HZ PHE 59 -17.649 11.866 -11.516 418 H ILE 60 H ILE 60 -17.881 16.210 -5.324 419 HA ILE 60 HA ILE 60 -20.028 16.935 -7.159 420 HB ILE 60 HB ILE 60 -19.660 17.152 -4.153 421 1HG1 ILE 60 1HG1 ILE 60 -21.279 15.135 -5.722 422 2HG1 ILE 60 2HG1 ILE 60 -19.587 14.858 -5.308 423 1HG2 ILE 60 1HG2 ILE 60 -22.002 17.664 -5.973 424 2HG2 ILE 60 2HG2 ILE 60 -22.267 17.085 -4.328 425 3HG2 ILE 60 3HG2 ILE 60 -21.437 18.617 -4.600 426 1HD1 ILE 60 1HD1 ILE 60 -20.430 15.551 -2.881 427 2HD1 ILE 60 2HD1 ILE 60 -21.979 14.996 -3.518 428 3HD1 ILE 60 3HD1 ILE 60 -20.603 13.896 -3.464 429 H ALA 61 H ALA 61 -17.738 18.696 -5.093 430 HA ALA 61 HA ALA 61 -18.903 21.291 -5.264 431 1HB ALA 61 1HB ALA 61 -17.064 21.749 -4.018 432 2HB ALA 61 2HB ALA 61 -16.650 20.043 -4.182 433 3HB ALA 61 3HB ALA 61 -15.982 21.223 -5.308 434 H ALA 62 H ALA 62 -17.096 19.410 -7.594 435 HA ALA 62 HA ALA 62 -16.512 21.733 -9.319 436 1HB ALA 62 1HB ALA 62 -15.901 18.823 -9.165 437 2HB ALA 62 3HB ALA 62 -15.886 19.543 -10.775 438 3HB ALA 62 2HB ALA 62 -14.826 20.177 -9.515 439 H SER 63 H SER 63 -17.995 18.602 -10.185 440 HA SER 63 HA SER 63 -19.847 20.048 -12.011 441 1HB SER 63 1HB SER 63 -20.082 17.856 -13.036 442 2HB SER 63 2HB SER 63 -18.369 18.139 -12.733 443 HG SER 63 HG SER 63 -20.093 16.299 -11.640 444 H LEU 8 H LEU 8 26.516 -7.136 -0.833 445 HA LEU 8 HA LEU 8 26.916 -9.738 -0.677 446 1HB LEU 8 1HB LEU 8 25.159 -7.909 0.830 447 2HB LEU 8 2HB LEU 8 24.820 -9.618 1.099 448 HG LEU 8 HG LEU 8 27.673 -9.170 1.086 449 1HD1 LEU 8 1HD1 LEU 8 26.900 -6.871 1.812 450 2HD1 LEU 8 2HD1 LEU 8 26.146 -7.640 3.209 451 3HD1 LEU 8 3HD1 LEU 8 27.895 -7.718 2.996 452 1HD2 LEU 8 1HD2 LEU 8 25.568 -10.260 2.936 453 2HD2 LEU 8 2HD2 LEU 8 26.918 -11.099 2.172 454 3HD2 LEU 8 3HD2 LEU 8 27.210 -10.021 3.536 455 H GLU 9 H GLU 9 26.220 -11.370 -2.012 456 HA GLU 9 HA GLU 9 23.274 -11.756 -2.330 457 1HB GLU 9 1HB GLU 9 24.657 -10.527 -4.244 458 2HB GLU 9 2HB GLU 9 25.112 -12.180 -4.658 459 1HG GLU 9 1HG GLU 9 22.510 -12.612 -4.401 460 2HG GLU 9 2HG GLU 9 22.415 -10.883 -4.737 461 HA PRO 10 HA PRO 10 25.672 -15.632 -1.354 462 1HB PRO 10 1HB PRO 10 24.153 -16.397 0.790 463 2HB PRO 10 2HB PRO 10 25.558 -15.321 0.936 464 1HG PRO 10 2HG PRO 10 22.661 -14.653 0.905 465 2HG PRO 10 1HG PRO 10 23.973 -13.945 1.857 466 1HD PRO 10 1HD PRO 10 22.910 -12.773 -0.371 467 2HD PRO 10 2HD PRO 10 24.573 -12.499 0.192 468 H ASP 11 H ASP 11 22.136 -15.195 -0.961 469 HA ASP 11 HA ASP 11 20.324 -16.385 -1.891 470 1HB ASP 11 1HB ASP 11 22.484 -16.281 -3.825 471 2HB ASP 11 2HB ASP 11 21.556 -17.768 -4.019 472 H ASN 12 H ASN 12 22.815 -18.709 -2.875 473 HA ASN 12 HA ASN 12 21.906 -20.577 -0.725 474 1HB ASN 12 1HB ASN 12 20.750 -20.727 -3.079 475 2HB ASN 12 2HB ASN 12 22.265 -21.482 -3.574 476 2HD2 ASN 12 2HD2 ASN 12 22.996 -23.146 -1.589 477 1HD2 ASN 12 1HD2 ASN 12 21.769 -24.247 -1.185 478 H VAL 13 H VAL 13 24.436 -18.982 -1.452 479 HA VAL 13 HA VAL 13 26.413 -20.981 -2.222 480 HB VAL 13 HB VAL 13 26.286 -18.102 -1.422 481 1HG1 VAL 13 1HG1 VAL 13 28.703 -19.851 -1.081 482 2HG1 VAL 13 2HG1 VAL 13 28.919 -18.208 -1.684 483 3HG1 VAL 13 3HG1 VAL 13 28.176 -18.478 -0.107 484 1HG2 VAL 13 1HG2 VAL 13 27.135 -19.785 -3.727 485 2HG2 VAL 13 2HG2 VAL 13 26.208 -18.284 -3.709 486 3HG2 VAL 13 3HG2 VAL 13 27.960 -18.241 -3.508 487 HA PRO 14 HA PRO 14 27.600 -20.873 2.393 488 1HB PRO 14 1HB PRO 14 26.072 -19.422 4.135 489 2HB PRO 14 2HB PRO 14 27.453 -18.731 3.260 490 1HG PRO 14 2HG PRO 14 24.543 -18.477 2.709 491 2HG PRO 14 1HG PRO 14 25.839 -17.283 2.530 492 1HD PRO 14 1HD PRO 14 24.746 -18.683 0.444 493 2HD PRO 14 2HD PRO 14 26.383 -17.995 0.446 494 H MET 15 H MET 15 24.060 -20.377 2.197 495 HA MET 15 HA MET 15 22.278 -21.769 2.869 496 1HB MET 15 1HB MET 15 23.555 -23.118 1.130 497 2HB MET 15 2HB MET 15 24.356 -23.939 2.470 498 1HG MET 15 1HG MET 15 22.485 -25.310 1.850 499 2HG MET 15 2HG MET 15 22.045 -24.508 3.359 500 1HE MET 15 1HE MET 15 19.866 -25.009 3.207 501 2HE MET 15 2HE MET 15 18.620 -24.212 2.251 502 3HE MET 15 3HE MET 15 19.483 -25.612 1.597 503 H ASP 16 H ASP 16 22.018 -21.267 5.082 504 HA ASP 16 HA ASP 16 23.678 -22.825 7.017 505 1HB ASP 16 1HB ASP 16 23.899 -20.421 7.203 506 2HB ASP 16 2HB ASP 16 22.146 -20.224 7.223 507 H MET 17 H MET 17 20.657 -21.295 7.817 508 HA MET 17 HA MET 17 18.936 -23.586 7.563 509 1HB MET 17 2HB MET 17 18.939 -24.264 9.949 510 2HB MET 17 1HB MET 17 20.536 -24.466 9.230 511 1HG MET 17 1HG MET 17 21.274 -22.344 10.193 512 2HG MET 17 2HG MET 17 19.662 -22.052 10.844 513 1HE MET 17 1HE MET 17 21.892 -21.685 12.556 514 2HE MET 17 2HE MET 17 20.374 -21.846 13.434 515 3HE MET 17 3HE MET 17 21.798 -22.724 13.984 516 H SER 18 H SER 18 19.695 -20.587 9.298 517 HA SER 18 HA SER 18 18.297 -18.802 9.951 518 1HB SER 18 1HB SER 18 16.174 -20.166 8.284 519 2HB SER 18 2HB SER 18 16.391 -18.441 8.566 520 HG SER 18 HG SER 18 17.386 -19.925 6.614 521 HA PRO 19 HA PRO 19 15.991 -20.346 13.339 522 1HB PRO 19 1HB PRO 19 14.222 -18.314 13.812 523 2HB PRO 19 2HB PRO 19 15.951 -18.202 14.199 524 1HG PRO 19 2HG PRO 19 14.464 -17.124 11.853 525 2HG PRO 19 1HG PRO 19 15.766 -16.384 12.798 526 1HD PRO 19 1HD PRO 19 16.161 -17.541 10.373 527 2HD PRO 19 2HD PRO 19 17.408 -17.491 11.638 528 H LYS 20 H LYS 20 14.450 -19.683 10.376 529 HA LYS 20 HA LYS 20 12.547 -20.626 9.353 530 1HB LYS 20 1HB LYS 20 13.630 -22.601 10.676 531 2HB LYS 20 2HB LYS 20 12.276 -22.386 11.786 532 1HG LYS 20 1HG LYS 20 12.015 -22.827 8.796 533 2HG LYS 20 2HG LYS 20 11.772 -24.067 10.026 534 1HD LYS 20 1HD LYS 20 10.127 -22.179 11.009 535 2HD LYS 20 2HD LYS 20 10.042 -21.758 9.298 536 1HE LYS 20 1HE LYS 20 9.763 -24.439 9.087 537 2HE LYS 20 2HE LYS 20 9.044 -24.193 10.692 538 1HZ LYS 20 1HZ LYS 20 7.791 -22.300 9.693 539 2HZ LYS 20 2HZ LYS 20 8.331 -22.804 8.166 540 3HZ LYS 20 3HZ LYS 20 7.338 -23.824 9.095 541 H ALA 21 H ALA 21 11.680 -20.894 12.836 542 HA ALA 21 HA ALA 21 8.995 -20.174 12.673 543 1HB ALA 21 1HB ALA 21 10.714 -20.774 14.636 544 2HB ALA 21 3HB ALA 21 9.176 -19.981 14.975 545 3HB ALA 21 2HB ALA 21 10.656 -19.027 14.880 546 H LEU 22 H LEU 22 11.704 -17.908 13.242 547 HA LEU 22 HA LEU 22 10.110 -15.512 13.035 548 1HB LEU 22 1HB LEU 22 12.337 -15.803 14.147 549 2HB LEU 22 2HB LEU 22 13.071 -16.016 12.566 550 HG LEU 22 HG LEU 22 11.531 -13.534 13.373 551 1HD1 LEU 22 1HD1 LEU 22 14.497 -14.132 13.365 552 2HD1 LEU 22 2HD1 LEU 22 13.807 -12.523 13.584 553 3HD1 LEU 22 3HD1 LEU 22 13.508 -13.783 14.784 554 1HD2 LEU 22 1HD2 LEU 22 13.151 -14.392 10.984 555 2HD2 LEU 22 2HD2 LEU 22 11.612 -13.532 11.028 556 3HD2 LEU 22 3HD2 LEU 22 13.106 -12.685 11.431 557 H GLN 23 H GLN 23 12.678 -16.602 10.813 558 HA GLN 23 HA GLN 23 12.146 -15.071 8.576 559 1HB GLN 23 1HB GLN 23 13.997 -16.673 8.860 560 2HB GLN 23 2HB GLN 23 12.868 -18.019 8.709 561 1HG GLN 23 1HG GLN 23 12.237 -16.766 6.441 562 2HG GLN 23 2HG GLN 23 13.881 -16.147 6.608 563 2HE2 GLN 23 2HE2 GLN 23 15.150 -17.420 5.232 564 1HE2 GLN 23 1HE2 GLN 23 15.124 -19.116 5.192 565 H GLN 24 H GLN 24 10.270 -17.852 9.690 566 HA GLN 24 HA GLN 24 8.702 -18.069 7.224 567 1HB GLN 24 1HB GLN 24 9.232 -19.944 8.798 568 2HB GLN 24 2HB GLN 24 8.227 -19.161 10.017 569 1HG GLN 24 1HG GLN 24 6.959 -19.536 7.364 570 2HG GLN 24 2HG GLN 24 7.280 -21.014 8.272 571 2HE2 GLN 24 2HE2 GLN 24 4.704 -19.302 7.716 572 1HE2 GLN 24 1HE2 GLN 24 4.000 -19.171 9.254 573 H LYS 25 H LYS 25 8.382 -16.473 10.362 574 HA LYS 25 HA LYS 25 5.577 -15.787 10.078 575 1HB LYS 25 1HB LYS 25 7.906 -15.089 11.825 576 2HB LYS 25 2HB LYS 25 6.491 -14.037 11.877 577 1HG LYS 25 1HG LYS 25 5.156 -15.645 12.825 578 2HG LYS 25 2HG LYS 25 5.977 -16.965 11.991 579 1HD LYS 25 2HD LYS 25 7.118 -17.381 13.885 580 2HD LYS 25 1HD LYS 25 7.907 -15.815 13.698 581 1HE LYS 25 1HE LYS 25 6.500 -14.768 15.218 582 2HE LYS 25 2HE LYS 25 5.151 -15.872 14.882 583 1HZ LYS 25 1HZ LYS 25 6.418 -17.668 15.903 584 2HZ LYS 25 2HZ LYS 25 7.682 -16.592 16.266 585 3HZ LYS 25 3HZ LYS 25 6.170 -16.403 17.009 586 H ILE 26 H ILE 26 8.606 -13.908 9.672 587 HA ILE 26 HA ILE 26 7.405 -11.472 8.822 588 HB ILE 26 HB ILE 26 10.062 -12.775 8.147 589 1HG1 ILE 26 1HG1 ILE 26 9.285 -10.755 10.277 590 2HG1 ILE 26 2HG1 ILE 26 9.608 -12.465 10.569 591 1HG2 ILE 26 1HG2 ILE 26 9.372 -10.876 6.627 592 2HG2 ILE 26 2HG2 ILE 26 9.322 -9.838 8.054 593 3HG2 ILE 26 3HG2 ILE 26 10.845 -10.572 7.549 594 1HD1 ILE 26 1HD1 ILE 26 11.895 -12.083 9.507 595 2HD1 ILE 26 2HD1 ILE 26 11.549 -10.357 9.601 596 3HD1 ILE 26 3HD1 ILE 26 11.644 -11.317 11.077 597 H HIS 27 H HIS 27 8.604 -14.241 6.897 598 HA HIS 27 HA HIS 27 8.080 -13.189 4.312 599 1HB HIS 27 1HB HIS 27 9.201 -15.408 5.315 600 2HB HIS 27 2HB HIS 27 7.623 -16.081 4.906 601 HD1 HIS 27 HD1 HIS 27 7.071 -14.402 2.341 602 HD2 HIS 27 HD2 HIS 27 10.665 -16.363 3.129 603 HE1 HIS 27 HE1 HIS 27 8.192 -14.769 0.100 604 H GLU 28 H GLU 28 5.898 -14.428 6.744 605 HA GLU 28 HA GLU 28 3.683 -14.943 4.900 606 1HB GLU 28 1HB GLU 28 4.072 -14.792 7.893 607 2HB GLU 28 2HB GLU 28 2.479 -15.058 7.185 608 1HG GLU 28 1HG GLU 28 4.858 -16.758 6.430 609 2HG GLU 28 2HG GLU 28 3.827 -17.157 7.804 610 H LEU 29 H LEU 29 4.727 -12.285 7.003 611 HA LEU 29 HA LEU 29 2.281 -10.731 6.638 612 1HB LEU 29 1HB LEU 29 5.055 -10.177 7.726 613 2HB LEU 29 2HB LEU 29 3.756 -8.984 7.756 614 HG LEU 29 HG LEU 29 3.233 -11.730 8.844 615 1HD1 LEU 29 1HD1 LEU 29 4.916 -9.569 10.089 616 2HD1 LEU 29 2HD1 LEU 29 3.914 -10.602 11.110 617 3HD1 LEU 29 3HD1 LEU 29 5.168 -11.315 10.095 618 1HD2 LEU 29 1HD2 LEU 29 1.712 -9.470 8.545 619 2HD2 LEU 29 2HD2 LEU 29 1.399 -10.721 9.748 620 3HD2 LEU 29 3HD2 LEU 29 2.300 -9.273 10.196 621 H GLU 30 H GLU 30 5.555 -10.728 5.235 622 HA GLU 30 HA GLU 30 5.428 -8.346 3.721 623 1HB GLU 30 1HB GLU 30 7.235 -10.275 4.142 624 2HB GLU 30 2HB GLU 30 6.660 -10.814 2.564 625 1HG GLU 30 1HG GLU 30 6.944 -8.163 2.074 626 2HG GLU 30 2HG GLU 30 8.209 -8.388 3.283 627 H GLY 31 H GLY 31 4.366 -11.641 2.818 628 1HA GLY 31 2HA GLY 31 3.011 -12.364 1.036 629 2HA GLY 31 1HA GLY 31 3.439 -10.874 0.197 630 H LEU 32 H LEU 32 2.014 -10.825 3.398 631 HA LEU 32 HA LEU 32 -0.744 -10.690 2.744 632 1HB LEU 32 1HB LEU 32 0.861 -10.552 4.980 633 2HB LEU 32 2HB LEU 32 0.207 -8.916 4.899 634 HG LEU 32 HG LEU 32 -2.080 -9.832 4.767 635 1HD1 LEU 32 1HD1 LEU 32 -0.625 -12.248 4.182 636 2HD1 LEU 32 2HD1 LEU 32 -1.646 -12.512 5.596 637 3HD1 LEU 32 3HD1 LEU 32 -2.362 -11.958 4.083 638 1HD2 LEU 32 1HD2 LEU 32 -0.384 -10.882 7.053 639 2HD2 LEU 32 2HD2 LEU 32 -1.217 -9.329 6.983 640 3HD2 LEU 32 3HD2 LEU 32 -2.147 -10.826 7.075 641 H MET 33 H MET 33 1.711 -8.100 2.900 642 HA MET 33 HA MET 33 0.041 -5.858 2.467 643 1HB MET 33 1HB MET 33 2.885 -6.625 1.922 644 2HB MET 33 2HB MET 33 2.288 -5.112 1.241 645 1HG MET 33 1HG MET 33 2.118 -4.106 3.284 646 2HG MET 33 2HG MET 33 1.593 -5.590 4.081 647 1HE MET 33 1HE MET 33 4.336 -4.844 1.701 648 2HE MET 33 2HE MET 33 4.908 -3.579 2.785 649 3HE MET 33 3HE MET 33 5.867 -5.042 2.568 650 H MET 34 H MET 34 1.583 -8.031 0.090 651 HA MET 34 HA MET 34 0.940 -6.741 -2.310 652 1HB MET 34 1HB MET 34 2.164 -8.989 -1.670 653 2HB MET 34 2HB MET 34 0.584 -9.707 -1.984 654 1HG MET 34 2HG MET 34 1.209 -9.744 -4.159 655 2HG MET 34 1HG MET 34 0.924 -8.004 -4.140 656 1HE MET 34 1HE MET 34 2.163 -6.388 -3.997 657 2HE MET 34 2HE MET 34 3.893 -6.229 -3.664 658 3HE MET 34 3HE MET 34 3.332 -6.517 -5.309 659 H GLN 35 H GLN 35 -1.161 -8.771 -0.277 660 HA GLN 35 HA GLN 35 -3.365 -9.034 -2.050 661 1HB GLN 35 1HB GLN 35 -3.115 -10.306 0.005 662 2HB GLN 35 2HB GLN 35 -3.160 -8.832 0.971 663 1HG GLN 35 2HG GLN 35 -5.396 -9.036 1.103 664 2HG GLN 35 1HG GLN 35 -5.487 -8.798 -0.642 665 2HE2 GLN 35 2HE2 GLN 35 -4.740 -11.442 1.708 666 1HE2 GLN 35 1HE2 GLN 35 -5.496 -12.659 0.796 667 H HIS 36 H HIS 36 -3.609 -6.954 0.822 668 HA HIS 36 HA HIS 36 -5.639 -5.273 -0.159 669 1HB HIS 36 1HB HIS 36 -3.531 -5.195 1.942 670 2HB HIS 36 2HB HIS 36 -4.366 -3.683 1.592 671 HD1 HIS 36 HD1 HIS 36 -5.524 -3.898 3.979 672 HD2 HIS 36 HD2 HIS 36 -6.544 -6.882 1.254 673 HE1 HIS 36 HE1 HIS 36 -7.577 -5.050 4.913 674 H ALA 37 H ALA 37 -2.116 -4.562 -0.091 675 HA ALA 37 HA ALA 37 -2.044 -2.056 -1.295 676 1HB ALA 37 1HB ALA 37 -0.097 -3.299 -0.464 677 2HB ALA 37 3HB ALA 37 -0.267 -4.476 -1.768 678 3HB ALA 37 2HB ALA 37 0.186 -2.812 -2.135 679 H GLN 38 H GLN 38 -2.704 -5.167 -2.835 680 HA GLN 38 HA GLN 38 -2.562 -4.113 -5.567 681 1HB GLN 38 1HB GLN 38 -3.222 -6.663 -4.154 682 2HB GLN 38 2HB GLN 38 -3.852 -6.461 -5.788 683 1HG GLN 38 1HG GLN 38 -1.437 -5.741 -6.404 684 2HG GLN 38 2HG GLN 38 -0.980 -6.492 -4.876 685 2HE2 GLN 38 2HE2 GLN 38 0.032 -7.674 -7.174 686 1HE2 GLN 38 1HE2 GLN 38 -0.765 -9.140 -7.484 687 H ASN 39 H ASN 39 -5.057 -4.764 -3.141 688 HA ASN 39 HA ASN 39 -7.208 -3.912 -5.008 689 1HB ASN 39 1HB ASN 39 -7.019 -5.180 -2.275 690 2HB ASN 39 2HB ASN 39 -8.550 -4.521 -2.852 691 2HD2 ASN 39 2HD2 ASN 39 -8.825 -7.131 -2.531 692 1HD2 ASN 39 1HD2 ASN 39 -8.648 -8.012 -3.972 693 H LEU 40 H LEU 40 -5.070 -2.095 -3.803 694 HA LEU 40 HA LEU 40 -4.951 0.065 -2.877 695 1HB LEU 40 1HB LEU 40 -7.813 -0.172 -3.839 696 2HB LEU 40 2HB LEU 40 -7.143 1.343 -3.233 697 HG LEU 40 HG LEU 40 -5.191 0.696 -4.960 698 1HD1 LEU 40 1HD1 LEU 40 -7.635 -0.817 -5.798 699 2HD1 LEU 40 2HD1 LEU 40 -6.643 -0.069 -7.050 700 3HD1 LEU 40 3HD1 LEU 40 -5.934 -1.259 -5.958 701 1HD2 LEU 40 1HD2 LEU 40 -7.477 2.433 -4.924 702 2HD2 LEU 40 2HD2 LEU 40 -5.928 2.681 -5.730 703 3HD2 LEU 40 3HD2 LEU 40 -7.238 1.851 -6.572 704 H GLU 41 H GLU 41 -5.703 -2.250 -1.100 705 HA GLU 41 HA GLU 41 -7.330 -0.810 0.960 706 1HB GLU 41 1HB GLU 41 -6.618 -3.717 0.471 707 2HB GLU 41 2HB GLU 41 -7.484 -3.165 1.904 708 1HG GLU 41 1HG GLU 41 -8.961 -1.957 -0.019 709 2HG GLU 41 2HG GLU 41 -8.421 -3.386 -0.903 710 H PHE 42 H PHE 42 -4.279 -0.700 0.235 711 HA PHE 42 HA PHE 42 -2.752 -1.835 2.323 712 1HB PHE 42 1HB PHE 42 -1.108 -0.080 1.630 713 2HB PHE 42 2HB PHE 42 -1.792 -0.975 0.277 714 HD1 PHE 42 HD1 PHE 42 -2.499 2.121 2.326 715 HD2 PHE 42 HD2 PHE 42 -2.600 0.234 -1.560 716 HE1 PHE 42 HE1 PHE 42 -3.282 4.249 1.308 717 HE2 PHE 42 HE2 PHE 42 -3.364 2.364 -2.573 718 HZ PHE 42 HZ PHE 42 -3.708 4.377 -1.138 719 H GLU 43 H GLU 43 -5.089 0.669 2.618 720 HA GLU 43 HA GLU 43 -3.991 2.504 4.424 721 1HB GLU 43 1HB GLU 43 -6.280 2.582 3.539 722 2HB GLU 43 2HB GLU 43 -6.697 1.121 4.436 723 1HG GLU 43 1HG GLU 43 -5.873 2.514 6.514 724 2HG GLU 43 2HG GLU 43 -6.196 3.895 5.466 725 H GLU 44 H GLU 44 -5.877 -0.325 5.495 726 HA GLU 44 HA GLU 44 -4.525 -0.344 8.107 727 1HB GLU 44 1HB GLU 44 -6.098 -2.239 8.485 728 2HB GLU 44 2HB GLU 44 -6.929 -0.822 7.843 729 1HG GLU 44 1HG GLU 44 -7.171 -1.767 5.712 730 2HG GLU 44 2HG GLU 44 -5.859 -2.917 5.968 731 H ALA 45 H ALA 45 -4.137 -1.856 5.009 732 HA ALA 45 HA ALA 45 -2.759 -4.254 5.913 733 1HB ALA 45 1HB ALA 45 -3.727 -2.990 3.482 734 2HB ALA 45 3HB ALA 45 -2.119 -3.671 3.236 735 3HB ALA 45 2HB ALA 45 -3.434 -4.700 3.805 736 H ALA 46 H ALA 46 -1.619 -1.249 4.308 737 HA ALA 46 HA ALA 46 1.116 -1.809 4.198 738 1HB ALA 46 1HB ALA 46 1.290 0.746 4.493 739 2HB ALA 46 2HB ALA 46 0.270 0.161 3.179 740 3HB ALA 46 3HB ALA 46 -0.459 0.721 4.687 741 H GLN 47 H GLN 47 -0.835 -1.110 7.025 742 HA GLN 47 HA GLN 47 1.094 -0.198 8.868 743 1HB GLN 47 1HB GLN 47 -1.218 -2.139 9.171 744 2HB GLN 47 2HB GLN 47 -0.387 -1.372 10.526 745 1HG GLN 47 1HG GLN 47 -1.346 0.426 8.356 746 2HG GLN 47 2HG GLN 47 -2.578 -0.294 9.394 747 2HE2 GLN 47 2HE2 GLN 47 -2.621 2.266 9.883 748 1HE2 GLN 47 1HE2 GLN 47 -1.686 2.742 11.218 749 H ILE 48 H ILE 48 0.560 -3.434 7.550 750 HA ILE 48 HA ILE 48 2.079 -5.017 9.332 751 HB ILE 48 HB ILE 48 1.798 -5.103 6.306 752 1HG1 ILE 48 1HG1 ILE 48 0.307 -6.760 8.341 753 2HG1 ILE 48 2HG1 ILE 48 -0.274 -5.163 7.869 754 1HG2 ILE 48 1HG2 ILE 48 3.571 -6.569 7.829 755 2HG2 ILE 48 2HG2 ILE 48 2.158 -7.624 7.775 756 3HG2 ILE 48 3HG2 ILE 48 2.910 -7.079 6.276 757 1HD1 ILE 48 1HD1 ILE 48 0.308 -6.345 5.436 758 2HD1 ILE 48 2HD1 ILE 48 -0.344 -7.687 6.377 759 3HD1 ILE 48 3HD1 ILE 48 -1.300 -6.222 6.151 760 H ARG 49 H ARG 49 3.070 -2.684 6.916 761 HA ARG 49 HA ARG 49 5.772 -3.338 6.470 762 1HB ARG 49 1HB ARG 49 4.699 -1.539 5.302 763 2HB ARG 49 2HB ARG 49 4.266 -0.730 6.804 764 1HG ARG 49 1HG ARG 49 7.101 -1.052 6.794 765 2HG ARG 49 2HG ARG 49 6.631 -0.393 5.229 766 1HD ARG 49 1HD ARG 49 7.037 1.412 6.909 767 2HD ARG 49 2HD ARG 49 5.351 1.401 6.359 768 HE ARG 49 HE ARG 49 4.790 0.123 8.441 769 1HH1 ARG 49 1HH1 ARG 49 8.032 0.001 8.622 770 2HH1 ARG 49 2HH1 ARG 49 8.209 0.829 10.132 771 1HH2 ARG 49 1HH2 ARG 49 4.924 1.937 10.213 772 2HH2 ARG 49 2HH2 ARG 49 6.450 1.925 11.034 773 H ASP 50 H ASP 50 4.243 -1.819 9.283 774 HA ASP 50 HA ASP 50 6.658 -1.068 10.661 775 1HB ASP 50 1HB ASP 50 4.275 -0.299 11.066 776 2HB ASP 50 2HB ASP 50 3.965 -1.871 11.807 777 H GLN 51 H GLN 51 4.713 -4.031 10.544 778 HA GLN 51 HA GLN 51 6.210 -5.392 12.647 779 1HB GLN 51 2HB GLN 51 4.421 -6.449 10.430 780 2HB GLN 51 1HB GLN 51 4.843 -7.296 11.919 781 1HG GLN 51 1HG GLN 51 3.695 -5.623 13.258 782 2HG GLN 51 2HG GLN 51 3.378 -4.644 11.824 783 2HE2 GLN 51 2HE2 GLN 51 3.060 -8.204 12.267 784 1HE2 GLN 51 1HE2 GLN 51 1.411 -8.256 11.870 785 H LEU 52 H LEU 52 6.271 -5.314 9.094 786 HA LEU 52 HA LEU 52 8.218 -7.407 8.732 787 1HB LEU 52 1HB LEU 52 6.616 -5.653 7.205 788 2HB LEU 52 2HB LEU 52 8.277 -5.318 6.721 789 HG LEU 52 HG LEU 52 7.290 -7.118 5.343 790 1HD1 LEU 52 1HD1 LEU 52 9.439 -8.045 7.276 791 2HD1 LEU 52 2HD1 LEU 52 9.079 -8.800 5.723 792 3HD1 LEU 52 3HD1 LEU 52 9.706 -7.153 5.778 793 1HD2 LEU 52 1HD2 LEU 52 6.186 -7.917 7.808 794 2HD2 LEU 52 2HD2 LEU 52 6.040 -8.757 6.264 795 3HD2 LEU 52 3HD2 LEU 52 7.335 -9.186 7.381 796 H HIS 53 H HIS 53 8.490 -3.852 8.971 797 HA HIS 53 HA HIS 53 11.366 -3.792 8.627 798 1HB HIS 53 1HB HIS 53 9.719 -1.934 8.210 799 2HB HIS 53 2HB HIS 53 9.493 -1.805 9.955 800 HD1 HIS 53 HD1 HIS 53 11.727 -0.770 7.219 801 HD2 HIS 53 HD2 HIS 53 11.953 -1.028 11.373 802 HE1 HIS 53 HE1 HIS 53 13.735 0.607 7.913 803 H GLN 54 H GLN 54 9.198 -3.788 11.459 804 HA GLN 54 HA GLN 54 11.272 -3.453 13.435 805 1HB GLN 54 1HB GLN 54 8.893 -2.987 13.823 806 2HB GLN 54 2HB GLN 54 8.496 -4.682 13.535 807 1HG GLN 54 1HG GLN 54 9.164 -5.315 15.611 808 2HG GLN 54 2HG GLN 54 10.585 -4.271 15.570 809 2HE2 GLN 54 2HE2 GLN 54 8.659 -4.537 17.817 810 1HE2 GLN 54 1HE2 GLN 54 7.996 -2.994 18.057 811 H LEU 55 H LEU 55 9.601 -6.337 12.134 812 HA LEU 55 HA LEU 55 10.879 -8.294 13.759 813 1HB LEU 55 1HB LEU 55 9.538 -8.170 11.079 814 2HB LEU 55 2HB LEU 55 10.375 -9.656 11.528 815 HG LEU 55 HG LEU 55 8.598 -8.461 13.592 816 1HD1 LEU 55 1HD1 LEU 55 7.672 -8.973 10.916 817 2HD1 LEU 55 2HD1 LEU 55 6.968 -10.164 12.010 818 3HD1 LEU 55 3HD1 LEU 55 6.743 -8.443 12.319 819 1HD2 LEU 55 1HD2 LEU 55 9.570 -11.136 12.681 820 2HD2 LEU 55 2HD2 LEU 55 9.458 -10.480 14.315 821 3HD2 LEU 55 3HD2 LEU 55 8.010 -11.073 13.501 822 H ARG 56 H ARG 56 12.044 -6.453 11.025 823 HA ARG 56 HA ARG 56 14.103 -8.075 10.002 824 1HB ARG 56 1HB ARG 56 13.390 -5.889 9.114 825 2HB ARG 56 2HB ARG 56 14.044 -5.087 10.541 826 1HG ARG 56 1HG ARG 56 16.230 -6.477 9.776 827 2HG ARG 56 2HG ARG 56 15.465 -6.246 8.202 828 1HD ARG 56 1HD ARG 56 15.421 -3.834 8.506 829 2HD ARG 56 2HD ARG 56 16.006 -3.996 10.174 830 HE ARG 56 HE ARG 56 17.890 -5.366 8.662 831 1HH1 ARG 56 1HH1 ARG 56 17.875 -3.843 6.351 832 2HH1 ARG 56 2HH1 ARG 56 18.690 -2.362 6.728 833 1HH2 ARG 56 1HH2 ARG 56 18.364 -2.745 10.158 834 2HH2 ARG 56 2HH2 ARG 56 18.967 -1.741 8.882 835 H GLU 57 H GLU 57 14.262 -5.806 12.771 836 HA GLU 57 HA GLU 57 16.992 -6.313 13.461 837 1HB GLU 57 2HB GLU 57 14.645 -5.552 15.232 838 2HB GLU 57 1HB GLU 57 16.348 -5.224 15.556 839 1HG GLU 57 1HG GLU 57 16.227 -4.050 13.178 840 2HG GLU 57 2HG GLU 57 14.513 -3.934 13.576 841 H LEU 58 H LEU 58 13.950 -7.774 14.637 842 HA LEU 58 HA LEU 58 15.040 -9.510 16.596 843 1HB LEU 58 1HB LEU 58 12.593 -9.151 15.033 844 2HB LEU 58 2HB LEU 58 12.895 -10.846 15.416 845 HG LEU 58 HG LEU 58 13.216 -8.787 17.573 846 1HD1 LEU 58 1HD1 LEU 58 10.949 -8.582 16.279 847 2HD1 LEU 58 2HD1 LEU 58 10.559 -10.108 17.073 848 3HD1 LEU 58 3HD1 LEU 58 10.921 -8.678 18.040 849 1HD2 LEU 58 1HD2 LEU 58 12.899 -11.717 17.286 850 2HD2 LEU 58 2HD2 LEU 58 13.751 -10.793 18.524 851 3HD2 LEU 58 3HD2 LEU 58 12.002 -10.998 18.624 852 H PHE 59 H PHE 59 15.165 -9.671 13.114 853 HA PHE 59 HA PHE 59 15.486 -12.421 12.610 854 1HB PHE 59 1HB PHE 59 15.419 -10.404 11.034 855 2HB PHE 59 2HB PHE 59 17.135 -10.197 11.381 856 HD1 PHE 59 HD1 PHE 59 18.624 -12.377 11.135 857 HD2 PHE 59 HD2 PHE 59 14.772 -11.812 9.269 858 HE1 PHE 59 HE1 PHE 59 19.178 -14.137 9.461 859 HE2 PHE 59 HE2 PHE 59 15.325 -13.573 7.594 860 HZ PHE 59 HZ PHE 59 17.529 -14.736 7.690 861 H ILE 60 H ILE 60 17.972 -10.049 13.613 862 HA ILE 60 HA ILE 60 20.095 -12.045 13.730 863 HB ILE 60 HB ILE 60 19.793 -9.221 14.807 864 1HG1 ILE 60 1HG1 ILE 60 21.340 -10.171 12.387 865 2HG1 ILE 60 2HG1 ILE 60 19.652 -9.671 12.281 866 1HG2 ILE 60 1HG2 ILE 60 22.107 -11.144 14.720 867 2HG2 ILE 60 2HG2 ILE 60 22.395 -9.407 14.629 868 3HG2 ILE 60 3HG2 ILE 60 21.588 -10.094 16.039 869 1HD1 ILE 60 1HD1 ILE 60 20.558 -7.557 13.618 870 2HD1 ILE 60 2HD1 ILE 60 22.082 -8.029 12.867 871 3HD1 ILE 60 3HD1 ILE 60 20.686 -7.644 11.860 872 H ALA 61 H ALA 61 17.882 -10.536 16.065 873 HA ALA 61 HA ALA 61 19.092 -11.460 18.473 874 1HB ALA 61 1HB ALA 61 16.839 -10.034 17.641 875 2HB ALA 61 3HB ALA 61 17.288 -10.370 19.312 876 3HB ALA 61 2HB ALA 61 16.170 -11.440 18.467 877 H ALA 62 H ALA 62 17.201 -13.127 16.050 878 HA ALA 62 HA ALA 62 16.628 -15.436 17.797 879 1HB ALA 62 1HB ALA 62 15.929 -16.197 15.299 880 2HB ALA 62 3HB ALA 62 14.909 -15.155 16.291 881 3HB ALA 62 2HB ALA 62 15.964 -14.448 15.067 882 H SER 63 H SER 63 18.032 -15.393 14.513 883 HA SER 63 HA SER 63 19.873 -17.582 15.332 884 1HB SER 63 1HB SER 63 20.045 -17.939 12.933 885 2HB SER 63 2HB SER 63 18.344 -17.707 13.332 886 HG SER 63 HG SER 63 20.054 -16.156 11.841 No H/Q in entry = 886 Start of MODEL 12 1 H LEU 8 H LEU 8 -34.639 15.010 -28.800 2 HA LEU 8 HA LEU 8 -31.824 13.972 -28.678 3 1HB LEU 8 1HB LEU 8 -33.165 14.228 -30.927 4 2HB LEU 8 2HB LEU 8 -32.823 15.945 -30.717 5 HG LEU 8 HG LEU 8 -30.477 14.256 -30.248 6 1HD1 LEU 8 1HD1 LEU 8 -32.072 13.984 -32.757 7 2HD1 LEU 8 2HD1 LEU 8 -30.320 14.104 -32.914 8 3HD1 LEU 8 3HD1 LEU 8 -31.031 12.807 -31.955 9 1HD2 LEU 8 1HD2 LEU 8 -31.193 16.677 -31.911 10 2HD2 LEU 8 2HD2 LEU 8 -30.171 16.603 -30.475 11 3HD2 LEU 8 3HD2 LEU 8 -29.598 15.929 -32.000 12 H GLU 9 H GLU 9 -31.824 15.142 -26.524 13 HA GLU 9 HA GLU 9 -31.174 18.030 -26.942 14 1HB GLU 9 1HB GLU 9 -33.242 16.741 -25.208 15 2HB GLU 9 2HB GLU 9 -32.399 18.149 -24.561 16 1HG GLU 9 1HG GLU 9 -33.007 19.447 -26.565 17 2HG GLU 9 2HG GLU 9 -33.844 18.040 -27.225 18 HA PRO 10 HA PRO 10 -28.311 15.526 -24.122 19 1HB PRO 10 1HB PRO 10 -26.137 15.363 -25.776 20 2HB PRO 10 2HB PRO 10 -27.411 14.128 -25.732 21 1HG PRO 10 2HG PRO 10 -26.976 16.329 -27.685 22 2HG PRO 10 1HG PRO 10 -27.532 14.670 -27.957 23 1HD PRO 10 1HD PRO 10 -29.195 16.838 -27.898 24 2HD PRO 10 2HD PRO 10 -29.708 15.185 -27.489 25 H ASP 11 H ASP 11 -27.201 17.920 -26.551 26 HA ASP 11 HA ASP 11 -26.072 19.974 -26.283 27 1HB ASP 11 1HB ASP 11 -27.907 19.609 -24.077 28 2HB ASP 11 2HB ASP 11 -26.481 20.493 -23.529 29 H ASN 12 H ASN 12 -25.623 18.848 -22.946 30 HA ASN 12 HA ASN 12 -22.960 17.782 -23.362 31 1HB ASN 12 1HB ASN 12 -23.011 20.429 -23.697 32 2HB ASN 12 2HB ASN 12 -22.929 20.414 -21.936 33 2HD2 ASN 12 2HD2 ASN 12 -21.306 18.063 -21.597 34 1HD2 ASN 12 1HD2 ASN 12 -19.760 18.395 -22.216 35 H VAL 13 H VAL 13 -25.425 17.161 -21.851 36 HA VAL 13 HA VAL 13 -24.818 17.673 -19.030 37 HB VAL 13 HB VAL 13 -26.957 16.397 -20.685 38 1HG1 VAL 13 1HG1 VAL 13 -26.353 15.647 -17.830 39 2HG1 VAL 13 2HG1 VAL 13 -28.021 15.700 -18.400 40 3HG1 VAL 13 3HG1 VAL 13 -26.863 14.608 -19.161 41 1HG2 VAL 13 1HG2 VAL 13 -26.993 18.774 -19.953 42 2HG2 VAL 13 2HG2 VAL 13 -28.368 17.857 -19.338 43 3HG2 VAL 13 3HG2 VAL 13 -27.010 18.230 -18.275 44 HA PRO 14 HA PRO 14 -23.627 13.091 -19.122 45 1HB PRO 14 1HB PRO 14 -23.623 11.725 -21.484 46 2HB PRO 14 2HB PRO 14 -25.075 11.890 -20.478 47 1HG PRO 14 2HG PRO 14 -24.380 13.219 -23.011 48 2HG PRO 14 1HG PRO 14 -25.967 12.868 -22.312 49 1HD PRO 14 1HD PRO 14 -24.627 15.352 -22.316 50 2HD PRO 14 2HD PRO 14 -26.101 14.927 -21.435 51 H MET 15 H MET 15 -22.746 14.523 -22.266 52 HA MET 15 HA MET 15 -20.173 13.461 -22.584 53 1HB MET 15 1HB MET 15 -21.677 15.000 -24.051 54 2HB MET 15 2HB MET 15 -20.866 16.324 -23.213 55 1HG MET 15 1HG MET 15 -18.666 15.342 -23.893 56 2HG MET 15 2HG MET 15 -19.539 14.133 -24.836 57 1HE MET 15 1HE MET 15 -19.470 14.304 -27.107 58 2HE MET 15 2HE MET 15 -21.165 14.726 -26.873 59 3HE MET 15 3HE MET 15 -20.188 15.601 -28.060 60 H ASP 16 H ASP 16 -18.286 13.739 -21.445 61 HA ASP 16 HA ASP 16 -16.788 14.572 -19.814 62 1HB ASP 16 1HB ASP 16 -17.274 16.438 -21.683 63 2HB ASP 16 2HB ASP 16 -17.914 17.299 -20.281 64 H MET 17 H MET 17 -18.939 13.518 -18.534 65 HA MET 17 HA MET 17 -20.600 15.190 -16.974 66 1HB MET 17 2HB MET 17 -20.714 13.198 -15.501 67 2HB MET 17 1HB MET 17 -20.778 12.735 -17.202 68 1HG MET 17 1HG MET 17 -18.318 12.309 -17.135 69 2HG MET 17 2HG MET 17 -18.336 12.658 -15.406 70 1HE MET 17 1HE MET 17 -17.527 11.018 -14.501 71 2HE MET 17 2HE MET 17 -18.887 10.396 -13.569 72 3HE MET 17 3HE MET 17 -17.920 9.294 -14.546 73 H SER 18 H SER 18 -17.226 14.218 -16.477 74 HA SER 18 HA SER 18 -17.090 15.489 -13.823 75 1HB SER 18 1HB SER 18 -14.838 14.469 -15.565 76 2HB SER 18 2HB SER 18 -14.887 14.565 -13.808 77 HG SER 18 HG SER 18 -16.765 13.077 -14.051 78 HA PRO 19 HA PRO 19 -15.537 19.320 -15.335 79 1HB PRO 19 1HB PRO 19 -13.940 20.120 -13.270 80 2HB PRO 19 2HB PRO 19 -15.710 20.073 -13.169 81 1HG PRO 19 1HG PRO 19 -13.725 18.304 -11.946 82 2HG PRO 19 2HG PRO 19 -15.396 18.616 -11.477 83 1HD PRO 19 1HD PRO 19 -14.374 16.366 -12.895 84 2HD PRO 19 2HD PRO 19 -16.067 16.722 -12.492 85 H LYS 20 H LYS 20 -13.751 16.782 -15.794 86 HA LYS 20 HA LYS 20 -11.724 16.375 -16.923 87 1HB LYS 20 1HB LYS 20 -12.652 18.515 -18.047 88 2HB LYS 20 2HB LYS 20 -11.439 19.374 -17.100 89 1HG LYS 20 1HG LYS 20 -10.686 16.984 -18.776 90 2HG LYS 20 2HG LYS 20 -10.779 18.597 -19.484 91 1HD LYS 20 1HD LYS 20 -9.311 19.239 -17.364 92 2HD LYS 20 2HD LYS 20 -8.873 17.532 -17.438 93 1HE LYS 20 1HE LYS 20 -8.190 17.806 -19.804 94 2HE LYS 20 2HE LYS 20 -8.608 19.528 -19.717 95 1HZ LYS 20 1HZ LYS 20 -7.112 19.659 -17.745 96 2HZ LYS 20 2HZ LYS 20 -6.584 18.083 -18.094 97 3HZ LYS 20 3HZ LYS 20 -6.306 19.339 -19.202 98 H ALA 21 H ALA 21 -11.014 19.452 -15.211 99 HA ALA 21 HA ALA 21 -8.386 18.972 -14.463 100 1HB ALA 21 1HB ALA 21 -9.883 21.001 -14.104 101 2HB ALA 21 2HB ALA 21 -8.784 20.635 -12.774 102 3HB ALA 21 3HB ALA 21 -10.488 20.194 -12.658 103 H LEU 22 H LEU 22 -11.280 17.987 -12.603 104 HA LEU 22 HA LEU 22 -9.684 16.549 -10.606 105 1HB LEU 22 1HB LEU 22 -12.614 16.917 -11.257 106 2HB LEU 22 2HB LEU 22 -12.094 15.816 -9.981 107 HG LEU 22 HG LEU 22 -10.792 17.734 -8.976 108 1HD1 LEU 22 1HD1 LEU 22 -12.107 19.090 -11.297 109 2HD1 LEU 22 2HD1 LEU 22 -11.895 20.002 -9.803 110 3HD1 LEU 22 3HD1 LEU 22 -10.493 19.328 -10.633 111 1HD2 LEU 22 1HD2 LEU 22 -13.315 16.985 -8.525 112 2HD2 LEU 22 2HD2 LEU 22 -12.629 18.404 -7.732 113 3HD2 LEU 22 3HD2 LEU 22 -13.652 18.597 -9.156 114 H GLN 23 H GLN 23 -11.780 15.750 -13.349 115 HA GLN 23 HA GLN 23 -11.884 12.948 -13.169 116 1HB GLN 23 1HB GLN 23 -13.040 14.435 -14.809 117 2HB GLN 23 2HB GLN 23 -11.506 14.662 -15.646 118 1HG GLN 23 1HG GLN 23 -11.588 11.949 -15.520 119 2HG GLN 23 2HG GLN 23 -13.311 12.314 -15.618 120 2HE2 GLN 23 2HE2 GLN 23 -12.664 11.106 -17.848 121 1HE2 GLN 23 1HE2 GLN 23 -12.320 12.160 -19.134 122 H GLN 24 H GLN 24 -9.334 14.947 -14.692 123 HA GLN 24 HA GLN 24 -7.694 12.669 -15.439 124 1HB GLN 24 1HB GLN 24 -7.697 14.882 -16.563 125 2HB GLN 24 2HB GLN 24 -7.054 15.617 -15.094 126 1HG GLN 24 2HG GLN 24 -5.096 15.249 -16.299 127 2HG GLN 24 1HG GLN 24 -5.189 13.770 -15.341 128 2HE2 GLN 24 2HE2 GLN 24 -4.575 12.063 -16.682 129 1HE2 GLN 24 1HE2 GLN 24 -5.114 11.838 -18.276 130 H LYS 25 H LYS 25 -7.487 15.117 -12.831 131 HA LYS 25 HA LYS 25 -5.122 14.169 -11.582 132 1HB LYS 25 1HB LYS 25 -7.361 15.945 -11.067 133 2HB LYS 25 2HB LYS 25 -6.869 15.120 -9.587 134 1HG LYS 25 2HG LYS 25 -5.302 16.769 -9.471 135 2HG LYS 25 1HG LYS 25 -4.438 15.771 -10.641 136 1HD LYS 25 1HD LYS 25 -5.626 17.029 -12.475 137 2HD LYS 25 2HD LYS 25 -6.261 18.116 -11.239 138 1HE LYS 25 1HE LYS 25 -4.122 18.975 -10.717 139 2HE LYS 25 2HE LYS 25 -3.291 17.595 -11.463 140 1HZ LYS 25 1HZ LYS 25 -5.027 19.494 -12.947 141 2HZ LYS 25 2HZ LYS 25 -3.336 19.608 -12.892 142 3HZ LYS 25 3HZ LYS 25 -4.072 18.255 -13.608 143 H ILE 26 H ILE 26 -8.534 13.263 -11.002 144 HA ILE 26 HA ILE 26 -8.041 11.426 -8.862 145 HB ILE 26 HB ILE 26 -10.205 11.583 -10.986 146 1HG1 ILE 26 1HG1 ILE 26 -10.324 12.519 -8.114 147 2HG1 ILE 26 2HG1 ILE 26 -9.745 13.571 -9.406 148 1HG2 ILE 26 1HG2 ILE 26 -9.709 9.521 -9.145 149 2HG2 ILE 26 2HG2 ILE 26 -10.989 10.487 -8.412 150 3HG2 ILE 26 3HG2 ILE 26 -11.210 9.808 -10.025 151 1HD1 ILE 26 1HD1 ILE 26 -12.332 12.131 -9.823 152 2HD1 ILE 26 2HD1 ILE 26 -12.321 13.517 -8.732 153 3HD1 ILE 26 3HD1 ILE 26 -11.822 13.714 -10.412 154 H HIS 27 H HIS 27 -8.625 10.769 -12.344 155 HA HIS 27 HA HIS 27 -8.121 7.973 -12.260 156 1HB HIS 27 1HB HIS 27 -8.947 9.784 -14.090 157 2HB HIS 27 2HB HIS 27 -7.288 9.551 -14.643 158 HD1 HIS 27 HD1 HIS 27 -7.634 8.039 -16.637 159 HD2 HIS 27 HD2 HIS 27 -9.630 6.658 -13.248 160 HE1 HIS 27 HE1 HIS 27 -8.532 5.743 -17.220 161 H GLU 28 H GLU 28 -5.923 10.704 -12.260 162 HA GLU 28 HA GLU 28 -3.564 9.153 -13.036 163 1HB GLU 28 1HB GLU 28 -4.184 11.922 -12.021 164 2HB GLU 28 2HB GLU 28 -2.511 11.373 -12.129 165 1HG GLU 28 1HG GLU 28 -4.400 11.110 -14.468 166 2HG GLU 28 2HG GLU 28 -3.491 12.595 -14.184 167 H LEU 29 H LEU 29 -4.711 10.644 -9.982 168 HA LEU 29 HA LEU 29 -2.611 9.629 -8.325 169 1HB LEU 29 1HB LEU 29 -5.248 10.916 -8.091 170 2HB LEU 29 2HB LEU 29 -4.837 9.898 -6.711 171 HG LEU 29 HG LEU 29 -2.635 11.073 -6.558 172 1HD1 LEU 29 1HD1 LEU 29 -3.771 12.403 -8.970 173 2HD1 LEU 29 2HD1 LEU 29 -2.871 13.422 -7.847 174 3HD1 LEU 29 3HD1 LEU 29 -2.094 12.020 -8.583 175 1HD2 LEU 29 1HD2 LEU 29 -5.279 12.433 -6.242 176 2HD2 LEU 29 2HD2 LEU 29 -4.090 11.995 -5.015 177 3HD2 LEU 29 3HD2 LEU 29 -3.826 13.412 -6.032 178 H GLU 30 H GLU 30 -5.726 8.254 -9.326 179 HA GLU 30 HA GLU 30 -5.869 6.064 -7.521 180 1HB GLU 30 1HB GLU 30 -7.640 6.871 -9.076 181 2HB GLU 30 2HB GLU 30 -6.705 6.246 -10.434 182 1HG GLU 30 1HG GLU 30 -6.821 4.084 -8.701 183 2HG GLU 30 2HG GLU 30 -8.420 4.812 -8.546 184 H GLY 31 H GLY 31 -4.206 6.368 -10.663 185 1HA GLY 31 2HA GLY 31 -2.765 4.850 -11.759 186 2HA GLY 31 1HA GLY 31 -3.276 3.604 -10.621 187 H LEU 32 H LEU 32 -2.038 6.724 -9.578 188 HA LEU 32 HA LEU 32 0.721 6.006 -9.270 189 1HB LEU 32 1HB LEU 32 -0.417 8.292 -9.236 190 2HB LEU 32 2HB LEU 32 -0.902 7.925 -7.580 191 HG LEU 32 HG LEU 32 1.647 7.372 -7.253 192 1HD1 LEU 32 1HD1 LEU 32 2.215 7.588 -9.649 193 2HD1 LEU 32 2HD1 LEU 32 1.691 9.272 -9.619 194 3HD1 LEU 32 3HD1 LEU 32 3.096 8.768 -8.679 195 1HD2 LEU 32 1HD2 LEU 32 0.086 9.440 -6.530 196 2HD2 LEU 32 2HD2 LEU 32 1.819 9.417 -6.204 197 3HD2 LEU 32 3HD2 LEU 32 1.195 10.300 -7.598 198 H MET 33 H MET 33 -2.126 5.445 -7.272 199 HA MET 33 HA MET 33 -0.844 4.826 -4.796 200 1HB MET 33 1HB MET 33 -3.428 4.755 -6.011 201 2HB MET 33 2HB MET 33 -3.154 3.186 -5.252 202 1HG MET 33 1HG MET 33 -3.075 4.067 -3.134 203 2HG MET 33 2HG MET 33 -2.362 5.585 -3.681 204 1HE MET 33 1HE MET 33 -5.532 3.376 -3.513 205 2HE MET 33 2HE MET 33 -6.761 4.379 -4.295 206 3HE MET 33 3HE MET 33 -5.407 3.751 -5.229 207 H MET 34 H MET 34 -2.116 2.511 -7.228 208 HA MET 34 HA MET 34 -0.932 0.181 -6.126 209 1HB MET 34 2HB MET 34 -1.514 0.872 -9.025 210 2HB MET 34 1HB MET 34 -1.404 -0.753 -8.348 211 1HG MET 34 1HG MET 34 -3.239 0.279 -6.670 212 2HG MET 34 2HG MET 34 -3.581 1.260 -8.096 213 1HE MET 34 1HE MET 34 -4.453 -1.622 -6.200 214 2HE MET 34 2HE MET 34 -4.602 -3.029 -7.249 215 3HE MET 34 3HE MET 34 -3.002 -2.415 -6.808 216 H GLN 35 H GLN 35 0.415 2.646 -8.272 217 HA GLN 35 HA GLN 35 2.688 1.323 -9.277 218 1HB GLN 35 1HB GLN 35 1.957 3.557 -9.943 219 2HB GLN 35 2HB GLN 35 2.292 4.180 -8.328 220 1HG GLN 35 2HG GLN 35 4.343 4.709 -9.124 221 2HG GLN 35 1HG GLN 35 4.688 2.981 -9.046 222 2HE2 GLN 35 2HE2 GLN 35 4.190 5.661 -11.205 223 1HE2 GLN 35 1HE2 GLN 35 4.304 4.783 -12.653 224 H HIS 36 H HIS 36 3.041 3.677 -6.619 225 HA HIS 36 HA HIS 36 5.475 2.639 -5.623 226 1HB HIS 36 1HB HIS 36 3.203 4.264 -4.490 227 2HB HIS 36 2HB HIS 36 4.611 3.876 -3.499 228 HD1 HIS 36 HD1 HIS 36 3.555 6.650 -5.173 229 HD2 HIS 36 HD2 HIS 36 7.021 4.379 -5.632 230 HE1 HIS 36 HE1 HIS 36 5.250 8.151 -6.309 231 H ALA 37 H ALA 37 2.144 2.008 -4.437 232 HA ALA 37 HA ALA 37 2.666 0.286 -2.296 233 1HB ALA 37 1HB ALA 37 0.452 -0.790 -3.139 234 2HB ALA 37 2HB ALA 37 0.433 0.932 -2.759 235 3HB ALA 37 3HB ALA 37 0.537 0.400 -4.438 236 H GLN 38 H GLN 38 2.607 -0.482 -5.782 237 HA GLN 38 HA GLN 38 2.977 -3.317 -5.544 238 1HB GLN 38 1HB GLN 38 3.240 -1.173 -7.590 239 2HB GLN 38 2HB GLN 38 4.115 -2.669 -7.921 240 1HG GLN 38 1HG GLN 38 2.085 -3.975 -7.708 241 2HG GLN 38 2HG GLN 38 1.179 -2.558 -7.175 242 2HE2 GLN 38 2HE2 GLN 38 2.855 -3.967 -10.002 243 1HE2 GLN 38 1HE2 GLN 38 2.054 -3.012 -11.154 244 H ASN 39 H ASN 39 5.207 -0.575 -5.555 245 HA ASN 39 HA ASN 39 7.578 -2.355 -5.490 246 1HB ASN 39 2HB ASN 39 7.267 0.664 -5.344 247 2HB ASN 39 1HB ASN 39 8.774 -0.208 -5.627 248 2HD2 ASN 39 2HD2 ASN 39 7.546 1.700 -7.503 249 1HD2 ASN 39 1HD2 ASN 39 7.180 0.830 -8.914 250 H LEU 40 H LEU 40 5.405 -1.909 -3.260 251 HA LEU 40 HA LEU 40 5.378 -1.833 -0.920 252 1HB LEU 40 1HB LEU 40 8.134 -2.742 -1.701 253 2HB LEU 40 2HB LEU 40 7.756 -2.491 0.002 254 HG LEU 40 HG LEU 40 5.615 -3.918 -0.571 255 1HD1 LEU 40 1HD1 LEU 40 7.411 -4.269 -2.914 256 2HD1 LEU 40 2HD1 LEU 40 6.678 -5.736 -2.265 257 3HD1 LEU 40 3HD1 LEU 40 5.655 -4.407 -2.810 258 1HD2 LEU 40 1HD2 LEU 40 8.422 -5.023 -0.256 259 2HD2 LEU 40 2HD2 LEU 40 7.274 -4.653 1.031 260 3HD2 LEU 40 3HD2 LEU 40 6.963 -5.997 -0.069 261 H GLU 41 H GLU 41 6.185 0.649 -2.530 262 HA GLU 41 HA GLU 41 8.099 2.130 -0.943 263 1HB GLU 41 1HB GLU 41 6.165 2.552 -3.140 264 2HB GLU 41 2HB GLU 41 6.463 3.982 -2.149 265 1HG GLU 41 1HG GLU 41 8.749 2.308 -3.179 266 2HG GLU 41 2HG GLU 41 8.028 3.572 -4.176 267 H PHE 42 H PHE 42 4.550 1.954 -1.013 268 HA PHE 42 HA PHE 42 2.933 2.677 0.539 269 1HB PHE 42 1HB PHE 42 5.263 1.521 2.020 270 2HB PHE 42 2HB PHE 42 3.960 2.248 2.959 271 HD1 PHE 42 HD1 PHE 42 1.551 1.639 1.417 272 HD2 PHE 42 HD2 PHE 42 5.021 -0.816 2.176 273 HE1 PHE 42 HE1 PHE 42 0.171 -0.412 1.099 274 HE2 PHE 42 HE2 PHE 42 3.641 -2.865 1.856 275 HZ PHE 42 HZ PHE 42 1.214 -2.660 1.322 276 H GLU 43 H GLU 43 2.790 4.043 2.707 277 HA GLU 43 HA GLU 43 2.935 6.124 3.761 278 1HB GLU 43 1HB GLU 43 5.299 5.554 4.057 279 2HB GLU 43 2HB GLU 43 5.661 6.068 2.413 280 1HG GLU 43 1HG GLU 43 4.738 8.349 3.051 281 2HG GLU 43 2HG GLU 43 4.765 7.789 4.725 282 H GLU 44 H GLU 44 4.602 6.464 0.665 283 HA GLU 44 HA GLU 44 3.118 8.918 0.018 284 1HB GLU 44 2HB GLU 44 4.592 8.910 -1.942 285 2HB GLU 44 1HB GLU 44 5.535 8.537 -0.500 286 1HG GLU 44 1HG GLU 44 5.503 6.168 -1.017 287 2HG GLU 44 2HG GLU 44 4.389 6.435 -2.358 288 H ALA 45 H ALA 45 3.072 5.494 -0.841 289 HA ALA 45 HA ALA 45 1.240 5.835 -3.098 290 1HB ALA 45 1HB ALA 45 1.594 3.230 -1.705 291 2HB ALA 45 3HB ALA 45 3.054 3.986 -2.341 292 3HB ALA 45 2HB ALA 45 1.714 3.611 -3.423 293 H ALA 46 H ALA 46 0.942 4.543 0.231 294 HA ALA 46 HA ALA 46 -1.907 4.043 -0.029 295 1HB ALA 46 1HB ALA 46 -0.200 2.905 1.472 296 2HB ALA 46 3HB ALA 46 -0.249 4.349 2.485 297 3HB ALA 46 2HB ALA 46 -1.703 3.373 2.267 298 H GLN 47 H GLN 47 -0.022 6.862 0.765 299 HA GLN 47 HA GLN 47 -2.038 8.223 2.346 300 1HB GLN 47 1HB GLN 47 0.537 8.826 0.979 301 2HB GLN 47 2HB GLN 47 -0.509 10.199 1.336 302 1HG GLN 47 1HG GLN 47 -0.611 9.549 3.695 303 2HG GLN 47 2HG GLN 47 0.372 8.122 3.362 304 2HE2 GLN 47 2HE2 GLN 47 2.307 8.660 4.465 305 1HE2 GLN 47 1HE2 GLN 47 3.225 10.048 4.132 306 H ILE 48 H ILE 48 -1.208 8.161 -1.120 307 HA ILE 48 HA ILE 48 -2.787 10.254 -2.111 308 HB ILE 48 HB ILE 48 -2.269 7.458 -3.177 309 1HG1 ILE 48 1HG1 ILE 48 -0.260 8.819 -2.693 310 2HG1 ILE 48 2HG1 ILE 48 -0.467 8.586 -4.429 311 1HG2 ILE 48 1HG2 ILE 48 -3.776 9.743 -4.282 312 2HG2 ILE 48 2HG2 ILE 48 -2.550 9.084 -5.366 313 3HG2 ILE 48 3HG2 ILE 48 -3.823 8.039 -4.735 314 1HD1 ILE 48 1HD1 ILE 48 -1.943 10.888 -3.876 315 2HD1 ILE 48 2HD1 ILE 48 -0.495 11.058 -2.885 316 3HD1 ILE 48 3HD1 ILE 48 -0.349 10.831 -4.627 317 H ARG 49 H ARG 49 -3.791 7.140 -0.837 318 HA ARG 49 HA ARG 49 -6.423 6.925 -1.838 319 1HB ARG 49 1HB ARG 49 -5.460 5.141 -0.595 320 2HB ARG 49 2HB ARG 49 -5.033 6.195 0.747 321 1HG ARG 49 1HG ARG 49 -7.883 6.301 0.335 322 2HG ARG 49 2HG ARG 49 -7.373 4.618 0.462 323 1HD ARG 49 1HD ARG 49 -7.894 5.643 2.697 324 2HD ARG 49 2HD ARG 49 -6.207 5.103 2.577 325 HE ARG 49 HE ARG 49 -5.603 7.482 2.052 326 1HH1 ARG 49 1HH1 ARG 49 -8.876 7.630 2.005 327 2HH1 ARG 49 2HH1 ARG 49 -9.055 8.830 3.241 328 1HH2 ARG 49 1HH2 ARG 49 -5.744 8.663 4.256 329 2HH2 ARG 49 2HH2 ARG 49 -7.283 9.415 4.515 330 H ASP 50 H ASP 50 -5.055 9.143 0.497 331 HA ASP 50 HA ASP 50 -7.607 9.990 1.645 332 1HB ASP 50 1HB ASP 50 -5.244 10.056 2.657 333 2HB ASP 50 2HB ASP 50 -4.960 11.458 1.624 334 H GLN 51 H GLN 51 -5.476 11.052 -0.974 335 HA GLN 51 HA GLN 51 -6.920 13.547 -1.459 336 1HB GLN 51 2HB GLN 51 -4.985 11.955 -3.177 337 2HB GLN 51 1HB GLN 51 -5.395 13.659 -3.380 338 1HG GLN 51 1HG GLN 51 -4.498 14.119 -1.105 339 2HG GLN 51 2HG GLN 51 -4.021 12.426 -0.973 340 2HE2 GLN 51 2HE2 GLN 51 -3.769 14.694 -3.765 341 1HE2 GLN 51 1HE2 GLN 51 -2.090 14.521 -3.943 342 H LEU 52 H LEU 52 -6.830 10.302 -2.938 343 HA LEU 52 HA LEU 52 -8.589 10.833 -5.128 344 1HB LEU 52 1HB LEU 52 -7.100 8.730 -4.089 345 2HB LEU 52 2HB LEU 52 -8.763 8.164 -3.922 346 HG LEU 52 HG LEU 52 -7.830 7.530 -6.118 347 1HD1 LEU 52 1HD1 LEU 52 -10.288 8.458 -5.656 348 2HD1 LEU 52 2HD1 LEU 52 -9.760 9.719 -6.769 349 3HD1 LEU 52 3HD1 LEU 52 -9.762 8.032 -7.284 350 1HD2 LEU 52 1HD2 LEU 52 -6.648 10.064 -5.983 351 2HD2 LEU 52 2HD2 LEU 52 -6.609 8.968 -7.365 352 3HD2 LEU 52 3HD2 LEU 52 -7.855 10.213 -7.261 353 H HIS 53 H HIS 53 -9.218 9.740 -1.792 354 HA HIS 53 HA HIS 53 -12.075 9.410 -2.157 355 1HB HIS 53 1HB HIS 53 -10.046 9.385 0.009 356 2HB HIS 53 2HB HIS 53 -11.695 9.748 0.517 357 HD1 HIS 53 HD1 HIS 53 -9.539 7.003 -0.774 358 HD2 HIS 53 HD2 HIS 53 -13.589 7.626 -0.008 359 HE1 HIS 53 HE1 HIS 53 -10.640 4.724 -0.844 360 H GLN 54 H GLN 54 -10.026 12.017 -0.829 361 HA GLN 54 HA GLN 54 -12.178 13.750 -0.036 362 1HB GLN 54 1HB GLN 54 -9.240 13.898 -0.550 363 2HB GLN 54 2HB GLN 54 -10.119 15.425 -0.470 364 1HG GLN 54 1HG GLN 54 -11.168 14.403 1.703 365 2HG GLN 54 2HG GLN 54 -9.763 13.338 1.663 366 2HE2 GLN 54 2HE2 GLN 54 -10.756 16.747 1.941 367 1HE2 GLN 54 1HE2 GLN 54 -9.268 17.305 2.539 368 H LEU 55 H LEU 55 -10.350 13.397 -3.069 369 HA LEU 55 HA LEU 55 -11.399 15.708 -4.405 370 1HB LEU 55 1HB LEU 55 -9.900 13.242 -4.994 371 2HB LEU 55 2HB LEU 55 -10.850 13.834 -6.357 372 HG LEU 55 HG LEU 55 -9.723 16.148 -5.327 373 1HD1 LEU 55 1HD1 LEU 55 -7.818 13.815 -5.077 374 2HD1 LEU 55 2HD1 LEU 55 -7.243 15.465 -5.321 375 3HD1 LEU 55 3HD1 LEU 55 -8.179 15.060 -3.882 376 1HD2 LEU 55 1HD2 LEU 55 -9.987 15.245 -7.727 377 2HD2 LEU 55 2HD2 LEU 55 -8.555 16.218 -7.397 378 3HD2 LEU 55 3HD2 LEU 55 -8.428 14.461 -7.476 379 H ARG 56 H ARG 56 -12.767 12.579 -3.708 380 HA ARG 56 HA ARG 56 -14.693 12.348 -5.793 381 1HB ARG 56 1HB ARG 56 -14.079 10.598 -4.156 382 2HB ARG 56 2HB ARG 56 -14.820 11.544 -2.866 383 1HG ARG 56 1HG ARG 56 -16.949 11.483 -4.379 384 2HG ARG 56 2HG ARG 56 -16.148 10.117 -5.158 385 1HD ARG 56 1HD ARG 56 -16.171 8.818 -3.181 386 2HD ARG 56 2HD ARG 56 -16.448 10.236 -2.151 387 HE ARG 56 HE ARG 56 -18.639 10.296 -3.784 388 1HH1 ARG 56 1HH1 ARG 56 -18.674 7.507 -4.428 389 2HH1 ARG 56 2HH1 ARG 56 -19.447 6.752 -3.074 390 1HH2 ARG 56 1HH2 ARG 56 -18.970 9.457 -0.957 391 2HH2 ARG 56 2HH2 ARG 56 -19.615 7.857 -1.109 392 H GLU 57 H GLU 57 -15.345 13.455 -2.442 393 HA GLU 57 HA GLU 57 -17.905 14.542 -2.911 394 1HB GLU 57 1HB GLU 57 -17.409 15.828 -0.837 395 2HB GLU 57 2HB GLU 57 -16.881 14.150 -0.707 396 1HG GLU 57 1HG GLU 57 -14.596 14.739 -1.100 397 2HG GLU 57 2HG GLU 57 -15.035 16.373 -1.601 398 H LEU 58 H LEU 58 -14.755 15.809 -3.740 399 HA LEU 58 HA LEU 58 -15.461 18.588 -4.018 400 1HB LEU 58 1HB LEU 58 -13.267 16.745 -4.609 401 2HB LEU 58 2HB LEU 58 -13.424 18.009 -5.830 402 HG LEU 58 HG LEU 58 -13.662 18.896 -3.008 403 1HD1 LEU 58 1HD1 LEU 58 -11.060 17.923 -4.222 404 2HD1 LEU 58 2HD1 LEU 58 -11.159 18.954 -2.793 405 3HD1 LEU 58 3HD1 LEU 58 -11.832 17.324 -2.753 406 1HD2 LEU 58 1HD2 LEU 58 -12.432 19.870 -5.586 407 2HD2 LEU 58 2HD2 LEU 58 -13.722 20.608 -4.636 408 3HD2 LEU 58 3HD2 LEU 58 -12.060 20.654 -4.051 409 H PHE 59 H PHE 59 -16.103 15.780 -5.969 410 HA PHE 59 HA PHE 59 -16.303 16.812 -8.575 411 1HB PHE 59 1HB PHE 59 -16.603 14.459 -7.918 412 2HB PHE 59 2HB PHE 59 -18.105 14.870 -7.091 413 HD1 PHE 59 HD1 PHE 59 -20.004 15.941 -8.478 414 HD2 PHE 59 HD2 PHE 59 -16.597 13.955 -10.235 415 HE1 PHE 59 HE1 PHE 59 -21.256 15.685 -10.618 416 HE2 PHE 59 HE2 PHE 59 -17.848 13.700 -12.376 417 HZ PHE 59 HZ PHE 59 -20.178 14.565 -12.567 418 H ILE 60 H ILE 60 -18.656 17.038 -5.904 419 HA ILE 60 HA ILE 60 -20.678 18.400 -7.493 420 HB ILE 60 HB ILE 60 -20.233 18.204 -4.495 421 1HG1 ILE 60 1HG1 ILE 60 -22.287 16.492 -5.621 422 2HG1 ILE 60 2HG1 ILE 60 -20.727 16.169 -6.378 423 1HG2 ILE 60 1HG2 ILE 60 -22.435 19.226 -6.226 424 2HG2 ILE 60 2HG2 ILE 60 -22.898 18.300 -4.798 425 3HG2 ILE 60 3HG2 ILE 60 -21.925 19.760 -4.625 426 1HD1 ILE 60 1HD1 ILE 60 -19.828 16.238 -3.911 427 2HD1 ILE 60 2HD1 ILE 60 -21.512 15.928 -3.489 428 3HD1 ILE 60 3HD1 ILE 60 -20.632 14.783 -4.502 429 H ALA 61 H ALA 61 -18.255 19.459 -5.084 430 HA ALA 61 HA ALA 61 -18.933 22.226 -5.049 431 1HB ALA 61 1HB ALA 61 -16.836 20.427 -4.162 432 2HB ALA 61 3HB ALA 61 -17.367 21.946 -3.441 433 3HB ALA 61 2HB ALA 61 -16.145 21.954 -4.713 434 H ALA 62 H ALA 62 -17.204 20.302 -7.406 435 HA ALA 62 HA ALA 62 -16.280 22.761 -8.828 436 1HB ALA 62 1HB ALA 62 -15.036 20.412 -8.200 437 2HB ALA 62 3HB ALA 62 -14.560 21.436 -9.555 438 3HB ALA 62 2HB ALA 62 -15.617 20.051 -9.826 439 H SER 63 H SER 63 -17.618 19.571 -9.789 440 HA SER 63 HA SER 63 -18.868 20.807 -12.166 441 1HB SER 63 1HB SER 63 -17.664 18.666 -12.299 442 2HB SER 63 2HB SER 63 -18.738 17.969 -11.090 443 HG SER 63 HG SER 63 -19.491 18.993 -13.634 444 H LEU 8 H LEU 8 34.332 -32.291 5.252 445 HA LEU 8 HA LEU 8 31.497 -31.850 4.366 446 1HB LEU 8 1HB LEU 8 32.805 -34.090 3.928 447 2HB LEU 8 2HB LEU 8 32.506 -34.381 5.641 448 HG LEU 8 HG LEU 8 30.131 -33.422 4.220 449 1HD1 LEU 8 1HD1 LEU 8 31.677 -35.761 3.196 450 2HD1 LEU 8 2HD1 LEU 8 29.926 -35.930 3.312 451 3HD1 LEU 8 3HD1 LEU 8 30.625 -34.645 2.327 452 1HD2 LEU 8 1HD2 LEU 8 30.872 -35.720 6.040 453 2HD2 LEU 8 2HD2 LEU 8 29.872 -34.314 6.410 454 3HD2 LEU 8 3HD2 LEU 8 29.260 -35.574 5.339 455 H GLU 9 H GLU 9 31.559 -30.125 6.105 456 HA GLU 9 HA GLU 9 30.966 -31.351 8.766 457 1HB GLU 9 1HB GLU 9 33.032 -29.339 7.979 458 2HB GLU 9 2HB GLU 9 32.230 -29.117 9.534 459 1HG GLU 9 1HG GLU 9 32.835 -31.416 10.184 460 2HG GLU 9 2HG GLU 9 33.629 -31.650 8.627 461 HA PRO 10 HA PRO 10 28.094 -27.903 7.254 462 1HB PRO 10 1HB PRO 10 25.890 -29.419 6.679 463 2HB PRO 10 2HB PRO 10 27.138 -29.034 5.476 464 1HG PRO 10 2HG PRO 10 26.718 -31.533 7.032 465 2HG PRO 10 1HG PRO 10 27.233 -31.321 5.352 466 1HD PRO 10 1HD PRO 10 28.945 -31.905 7.400 467 2HD PRO 10 2HD PRO 10 29.428 -31.042 5.924 468 H ASP 11 H ASP 11 26.996 -30.909 8.877 469 HA ASP 11 HA ASP 11 25.918 -31.233 10.949 470 1HB ASP 11 1HB ASP 11 27.780 -29.033 11.187 471 2HB ASP 11 2HB ASP 11 26.384 -28.749 12.228 472 H ASN 12 H ASN 12 25.499 -27.708 10.843 473 HA ASN 12 HA ASN 12 22.807 -27.775 9.771 474 1HB ASN 12 1HB ASN 12 22.911 -28.859 12.208 475 2HB ASN 12 2HB ASN 12 22.857 -27.166 12.702 476 2HD2 ASN 12 2HD2 ASN 12 21.188 -26.151 10.591 477 1HD2 ASN 12 1HD2 ASN 12 19.641 -26.825 10.770 478 H VAL 13 H VAL 13 25.281 -26.172 9.547 479 HA VAL 13 HA VAL 13 24.733 -23.613 10.866 480 HB VAL 13 HB VAL 13 26.815 -24.849 9.112 481 1HG1 VAL 13 1HG1 VAL 13 26.242 -21.894 9.232 482 2HG1 VAL 13 2HG1 VAL 13 27.901 -22.472 9.075 483 3HG1 VAL 13 3HG1 VAL 13 26.706 -22.874 7.842 484 1HG2 VAL 13 1HG2 VAL 13 26.915 -24.834 11.597 485 2HG2 VAL 13 2HG2 VAL 13 28.280 -23.994 10.861 486 3HG2 VAL 13 3HG2 VAL 13 26.949 -23.071 11.559 487 HA PRO 14 HA PRO 14 23.440 -22.369 6.482 488 1HB PRO 14 1HB PRO 14 23.367 -24.237 4.496 489 2HB PRO 14 2HB PRO 14 24.839 -23.335 4.907 490 1HG PRO 14 2HG PRO 14 24.132 -26.137 5.467 491 2HG PRO 14 1HG PRO 14 25.721 -25.382 5.291 492 1HD PRO 14 1HD PRO 14 24.437 -26.089 7.703 493 2HD PRO 14 2HD PRO 14 25.915 -25.136 7.512 494 H MET 15 H MET 15 22.538 -25.785 6.971 495 HA MET 15 HA MET 15 19.937 -25.759 5.930 496 1HB MET 15 1HB MET 15 21.452 -27.622 6.944 497 2HB MET 15 2HB MET 15 20.684 -27.193 8.473 498 1HG MET 15 1HG MET 15 18.452 -27.541 7.393 499 2HG MET 15 2HG MET 15 19.283 -28.103 5.942 500 1HE MET 15 1HE MET 15 19.181 -30.327 5.453 501 2HE MET 15 2HE MET 15 20.888 -30.239 5.881 502 3HE MET 15 3HE MET 15 19.912 -31.618 6.403 503 H ASP 16 H ASP 16 18.076 -24.731 6.572 504 HA ASP 16 HA ASP 16 16.624 -23.395 7.878 505 1HB ASP 16 1HB ASP 16 17.120 -25.727 9.115 506 2HB ASP 16 2HB ASP 16 17.803 -24.640 10.325 507 H MET 17 H MET 17 18.772 -21.886 7.183 508 HA MET 17 HA MET 17 20.495 -20.889 9.189 509 1HB MET 17 2HB MET 17 20.589 -18.906 7.704 510 2HB MET 17 1HB MET 17 20.614 -20.402 6.768 511 1HG MET 17 1HG MET 17 18.147 -20.192 6.443 512 2HG MET 17 2HG MET 17 18.201 -18.637 7.274 513 1HE MET 17 1HE MET 17 17.372 -17.290 5.986 514 2HE MET 17 2HE MET 17 18.733 -16.232 5.624 515 3HE MET 17 3HE MET 17 17.726 -16.840 4.312 516 H SER 18 H SER 18 17.109 -20.102 8.489 517 HA SER 18 HA SER 18 17.044 -17.925 10.473 518 1HB SER 18 1HB SER 18 14.743 -19.279 9.052 519 2HB SER 18 2HB SER 18 14.821 -17.623 9.650 520 HG SER 18 HG SER 18 16.662 -17.445 8.107 521 HA PRO 19 HA PRO 19 15.551 -20.462 13.746 522 1HB PRO 19 1HB PRO 19 14.007 -18.701 15.147 523 2HB PRO 19 2HB PRO 19 15.776 -18.607 15.086 524 1HG PRO 19 1HG PRO 19 13.773 -16.909 13.794 525 2HG PRO 19 2HG PRO 19 15.458 -16.564 14.185 526 1HD PRO 19 1HD PRO 19 14.363 -17.264 11.649 527 2HD PRO 19 2HD PRO 19 16.070 -16.997 12.062 528 H LYS 20 H LYS 20 13.702 -20.155 11.229 529 HA LYS 20 HA LYS 20 11.649 -21.100 10.566 530 1HB LYS 20 1HB LYS 20 12.605 -22.801 12.268 531 2HB LYS 20 2HB LYS 20 11.426 -22.130 13.395 532 1HG LYS 20 1HG LYS 20 10.595 -23.039 10.644 533 2HG LYS 20 2HG LYS 20 10.711 -24.183 11.981 534 1HD LYS 20 1HD LYS 20 9.293 -22.324 13.244 535 2HD LYS 20 2HD LYS 20 8.815 -21.900 11.600 536 1HE LYS 20 1HE LYS 20 8.102 -24.239 11.199 537 2HE LYS 20 2HE LYS 20 8.558 -24.654 12.864 538 1HZ LYS 20 1HZ LYS 20 7.097 -22.789 13.594 539 2HZ LYS 20 2HZ LYS 20 6.530 -22.667 11.997 540 3HZ LYS 20 3HZ LYS 20 6.261 -24.087 12.890 541 H ALA 21 H ALA 21 11.034 -20.340 14.024 542 HA ALA 21 HA ALA 21 8.409 -19.460 13.847 543 1HB ALA 21 1HB ALA 21 10.567 -18.103 15.483 544 2HB ALA 21 3HB ALA 21 8.872 -18.327 15.915 545 3HB ALA 21 2HB ALA 21 9.957 -19.716 15.855 546 H LEU 22 H LEU 22 11.312 -17.424 13.365 547 HA LEU 22 HA LEU 22 9.717 -15.082 12.604 548 1HB LEU 22 1HB LEU 22 12.644 -15.838 12.693 549 2HB LEU 22 2HB LEU 22 12.119 -14.294 12.019 550 HG LEU 22 HG LEU 22 10.877 -13.872 14.180 551 1HD1 LEU 22 1HD1 LEU 22 12.184 -16.498 14.776 552 2HD1 LEU 22 2HD1 LEU 22 12.016 -15.329 16.085 553 3HD1 LEU 22 3HD1 LEU 22 10.586 -15.915 15.236 554 1HD2 LEU 22 1HD2 LEU 22 13.390 -13.248 13.527 555 2HD2 LEU 22 2HD2 LEU 22 12.749 -12.892 15.132 556 3HD2 LEU 22 3HD2 LEU 22 13.753 -14.319 14.880 557 H GLN 23 H GLN 23 11.749 -17.498 10.997 558 HA GLN 23 HA GLN 23 11.795 -16.519 8.363 559 1HB GLN 23 1HB GLN 23 12.958 -18.528 9.285 560 2HB GLN 23 2HB GLN 23 11.413 -19.381 9.301 561 1HG GLN 23 1HG GLN 23 11.438 -18.480 6.738 562 2HG GLN 23 2HG GLN 23 13.168 -18.695 7.014 563 2HE2 GLN 23 2HE2 GLN 23 12.457 -20.476 5.233 564 1HE2 GLN 23 1HE2 GLN 23 12.115 -22.008 5.880 565 H GLN 24 H GLN 24 9.265 -18.530 9.904 566 HA GLN 24 HA GLN 24 7.563 -18.574 7.550 567 1HB GLN 24 1HB GLN 24 7.596 -20.288 9.345 568 2HB GLN 24 2HB GLN 24 6.994 -19.086 10.489 569 1HG GLN 24 2HG GLN 24 5.009 -20.116 9.839 570 2HG GLN 24 1HG GLN 24 5.084 -18.774 8.697 571 2HE2 GLN 24 2HE2 GLN 24 4.412 -19.560 6.693 572 1HE2 GLN 24 1HE2 GLN 24 4.919 -21.026 6.005 573 H LYS 25 H LYS 25 7.453 -16.780 10.650 574 HA LYS 25 HA LYS 25 5.088 -15.288 10.163 575 1HB LYS 25 1HB LYS 25 7.373 -15.328 11.955 576 2HB LYS 25 2HB LYS 25 6.888 -13.669 11.602 577 1HG LYS 25 2HG LYS 25 5.359 -14.018 13.255 578 2HG LYS 25 1HG LYS 25 4.455 -14.843 11.984 579 1HD LYS 25 1HD LYS 25 5.639 -16.972 12.632 580 2HD LYS 25 2HD LYS 25 6.319 -16.108 14.011 581 1HE LYS 25 1HE LYS 25 4.209 -15.836 15.039 582 2HE LYS 25 2HE LYS 25 3.335 -16.144 13.525 583 1HZ LYS 25 1HZ LYS 25 5.088 -18.130 14.870 584 2HZ LYS 25 2HZ LYS 25 3.400 -18.094 15.038 585 3HZ LYS 25 3HZ LYS 25 4.095 -18.395 13.517 586 H ILE 26 H ILE 26 8.489 -14.504 9.375 587 HA ILE 26 HA ILE 26 7.990 -11.921 8.244 588 HB ILE 26 HB ILE 26 10.122 -14.020 7.727 589 1HG1 ILE 26 1HG1 ILE 26 10.309 -11.542 9.447 590 2HG1 ILE 26 2HG1 ILE 26 9.732 -13.076 10.098 591 1HG2 ILE 26 1HG2 ILE 26 9.610 -11.659 6.296 592 2HG2 ILE 26 2HG2 ILE 26 10.925 -11.248 7.398 593 3HG2 ILE 26 3HG2 ILE 26 11.103 -12.598 6.278 594 1HD1 ILE 26 1HD1 ILE 26 12.279 -13.085 8.532 595 2HD1 ILE 26 2HD1 ILE 26 12.315 -12.440 10.174 596 3HD1 ILE 26 3HD1 ILE 26 11.794 -14.101 9.890 597 H HIS 27 H HIS 27 8.502 -15.072 6.599 598 HA HIS 27 HA HIS 27 7.938 -14.180 3.959 599 1HB HIS 27 1HB HIS 27 8.775 -16.463 5.145 600 2HB HIS 27 2HB HIS 27 7.103 -16.910 4.805 601 HD1 HIS 27 HD1 HIS 27 7.382 -18.387 2.774 602 HD2 HIS 27 HD2 HIS 27 9.401 -14.762 2.377 603 HE1 HIS 27 HE1 HIS 27 8.218 -18.292 0.385 604 H GLU 28 H GLU 28 5.802 -14.947 6.630 605 HA GLU 28 HA GLU 28 3.397 -15.222 4.983 606 1HB GLU 28 1HB GLU 28 4.095 -15.054 7.909 607 2HB GLU 28 2HB GLU 28 2.408 -14.983 7.397 608 1HG GLU 28 1HG GLU 28 4.252 -17.165 6.423 609 2HG GLU 28 2HG GLU 28 3.379 -17.313 7.950 610 H LEU 29 H LEU 29 4.626 -12.738 7.260 611 HA LEU 29 HA LEU 29 2.532 -10.840 6.819 612 1HB LEU 29 1HB LEU 29 5.200 -11.011 8.051 613 2HB LEU 29 2HB LEU 29 4.789 -9.393 7.483 614 HG LEU 29 HG LEU 29 2.616 -9.563 8.709 615 1HD1 LEU 29 1HD1 LEU 29 3.742 -12.266 9.259 616 2HD1 LEU 29 2HD1 LEU 29 2.882 -11.476 10.581 617 3HD1 LEU 29 3HD1 LEU 29 2.062 -11.770 9.047 618 1HD2 LEU 29 1HD2 LEU 29 5.294 -9.676 10.033 619 2HD2 LEU 29 2HD2 LEU 29 4.115 -8.364 9.998 620 3HD2 LEU 29 3HD2 LEU 29 3.867 -9.744 11.068 621 H GLU 30 H GLU 30 5.598 -11.432 5.133 622 HA GLU 30 HA GLU 30 5.722 -9.073 3.553 623 1HB GLU 30 1HB GLU 30 7.485 -10.811 3.833 624 2HB GLU 30 2HB GLU 30 6.514 -11.924 2.866 625 1HG GLU 30 1HG GLU 30 6.611 -9.640 1.293 626 2HG GLU 30 2HG GLU 30 8.228 -9.717 1.994 627 H GLY 31 H GLY 31 4.015 -12.154 2.983 628 1HA GLY 31 2HA GLY 31 2.522 -12.754 1.253 629 2HA GLY 31 1HA GLY 31 3.026 -11.310 0.373 630 H LEU 32 H LEU 32 1.874 -11.199 3.692 631 HA LEU 32 HA LEU 32 -0.895 -10.671 3.165 632 1HB LEU 32 1HB LEU 32 0.292 -11.306 5.335 633 2HB LEU 32 2HB LEU 32 0.797 -9.619 5.446 634 HG LEU 32 HG LEU 32 -1.757 -9.123 5.077 635 1HD1 LEU 32 1HD1 LEU 32 -2.361 -11.474 4.608 636 2HD1 LEU 32 2HD1 LEU 32 -1.799 -11.935 6.216 637 3HD1 LEU 32 3HD1 LEU 32 -3.198 -10.876 6.041 638 1HD2 LEU 32 1HD2 LEU 32 -0.139 -9.041 7.224 639 2HD2 LEU 32 2HD2 LEU 32 -1.867 -8.706 7.340 640 3HD2 LEU 32 3HD2 LEU 32 -1.247 -10.301 7.769 641 H MET 33 H MET 33 1.970 -8.622 3.130 642 HA MET 33 HA MET 33 0.715 -6.062 3.282 643 1HB MET 33 1HB MET 33 3.277 -7.229 2.794 644 2HB MET 33 2HB MET 33 2.980 -6.041 1.524 645 1HG MET 33 1HG MET 33 2.953 -4.274 2.988 646 2HG MET 33 2HG MET 33 2.266 -5.235 4.297 647 1HE MET 33 1HE MET 33 5.386 -4.462 2.149 648 2HE MET 33 2HE MET 33 6.627 -5.510 2.851 649 3HE MET 33 3HE MET 33 5.245 -6.213 2.016 650 H MET 34 H MET 34 1.897 -7.734 0.332 651 HA MET 34 HA MET 34 0.682 -5.996 -1.550 652 1HB MET 34 2HB MET 34 1.231 -8.976 -1.737 653 2HB MET 34 1HB MET 34 1.096 -7.860 -3.096 654 1HG MET 34 1HG MET 34 2.980 -6.567 -1.671 655 2HG MET 34 2HG MET 34 3.320 -8.217 -1.152 656 1HE MET 34 1HE MET 34 4.159 -5.580 -3.388 657 2HE MET 34 2HE MET 34 4.261 -6.180 -5.042 658 3HE MET 34 3HE MET 34 2.683 -5.920 -4.286 659 H GLN 35 H GLN 35 -0.647 -8.749 0.227 660 HA GLN 35 HA GLN 35 -2.965 -9.308 -1.271 661 1HB GLN 35 1HB GLN 35 -2.196 -10.596 0.659 662 2HB GLN 35 2HB GLN 35 -2.491 -9.226 1.727 663 1HG GLN 35 2HG GLN 35 -4.542 -10.120 2.058 664 2HG GLN 35 1HG GLN 35 -4.924 -9.546 0.435 665 2HE2 GLN 35 2HE2 GLN 35 -4.401 -12.389 2.367 666 1HE2 GLN 35 1HE2 GLN 35 -4.559 -13.522 1.112 667 H HIS 36 H HIS 36 -3.222 -7.437 1.756 668 HA HIS 36 HA HIS 36 -5.662 -6.164 1.114 669 1HB HIS 36 1HB HIS 36 -3.337 -5.567 2.937 670 2HB HIS 36 2HB HIS 36 -4.737 -4.493 2.886 671 HD1 HIS 36 HD1 HIS 36 -3.647 -6.905 5.032 672 HD2 HIS 36 HD2 HIS 36 -7.169 -6.658 2.816 673 HE1 HIS 36 HE1 HIS 36 -5.326 -8.409 6.186 674 H ALA 37 H ALA 37 -2.327 -4.875 0.764 675 HA ALA 37 HA ALA 37 -2.854 -2.324 -0.255 676 1HB ALA 37 1HB ALA 37 -0.616 -2.974 0.173 677 2HB ALA 37 3HB ALA 37 -0.758 -4.427 -0.817 678 3HB ALA 37 2HB ALA 37 -0.678 -2.841 -1.585 679 H GLN 38 H GLN 38 -2.866 -5.441 -1.995 680 HA GLN 38 HA GLN 38 -3.294 -4.394 -4.632 681 1HB GLN 38 1HB GLN 38 -3.544 -6.969 -3.161 682 2HB GLN 38 2HB GLN 38 -4.456 -6.847 -4.665 683 1HG GLN 38 1HG GLN 38 -2.451 -6.285 -5.906 684 2HG GLN 38 2HG GLN 38 -1.508 -6.191 -4.419 685 2HE2 GLN 38 2HE2 GLN 38 -3.258 -8.477 -6.539 686 1HE2 GLN 38 1HE2 GLN 38 -2.457 -9.863 -5.977 687 H ASN 39 H ASN 39 -5.463 -5.171 -1.952 688 HA ASN 39 HA ASN 39 -7.871 -4.575 -3.577 689 1HB ASN 39 2HB ASN 39 -7.492 -5.307 -0.652 690 2HB ASN 39 1HB ASN 39 -9.023 -5.313 -1.530 691 2HD2 ASN 39 2HD2 ASN 39 -7.784 -7.671 -0.274 692 1HD2 ASN 39 1HD2 ASN 39 -7.460 -8.776 -1.523 693 H LEU 40 H LEU 40 -5.652 -2.589 -2.564 694 HA LEU 40 HA LEU 40 -5.583 -0.372 -1.818 695 1HB LEU 40 1HB LEU 40 -8.371 -0.830 -2.843 696 2HB LEU 40 2HB LEU 40 -7.960 0.726 -2.121 697 HG LEU 40 HG LEU 40 -5.860 0.571 -3.708 698 1HD1 LEU 40 1HD1 LEU 40 -7.699 -1.558 -4.671 699 2HD1 LEU 40 2HD1 LEU 40 -6.990 -0.520 -5.908 700 3HD1 LEU 40 3HD1 LEU 40 -5.946 -1.434 -4.818 701 1HD2 LEU 40 1HD2 LEU 40 -8.687 1.212 -4.603 702 2HD2 LEU 40 2HD2 LEU 40 -7.511 2.329 -3.908 703 3HD2 LEU 40 3HD2 LEU 40 -7.247 1.660 -5.518 704 H GLU 41 H GLU 41 -6.365 -2.619 0.114 705 HA GLU 41 HA GLU 41 -8.219 -1.508 2.039 706 1HB GLU 41 1HB GLU 41 -6.312 -3.752 1.762 707 2HB GLU 41 2HB GLU 41 -6.563 -3.211 3.423 708 1HG GLU 41 1HG GLU 41 -8.902 -3.696 1.583 709 2HG GLU 41 2HG GLU 41 -8.169 -5.021 2.487 710 H PHE 42 H PHE 42 -4.677 -1.556 1.757 711 HA PHE 42 HA PHE 42 -3.018 -0.293 2.853 712 1HB PHE 42 1HB PHE 42 -5.349 1.480 2.232 713 2HB PHE 42 2HB PHE 42 -4.016 2.158 3.167 714 HD1 PHE 42 HD1 PHE 42 -1.646 0.833 2.076 715 HD2 PHE 42 HD2 PHE 42 -5.155 2.307 0.034 716 HE1 PHE 42 HE1 PHE 42 -0.316 1.107 -0.013 717 HE2 PHE 42 HE2 PHE 42 -3.822 2.581 -2.055 718 HZ PHE 42 HZ PHE 42 -1.401 1.982 -2.075 719 H GLU 43 H GLU 43 -2.811 1.388 4.783 720 HA GLU 43 HA GLU 43 -2.893 1.796 7.082 721 1HB GLU 43 1HB GLU 43 -5.263 2.267 6.683 722 2HB GLU 43 2HB GLU 43 -5.640 0.547 6.711 723 1HG GLU 43 1HG GLU 43 -4.657 0.493 9.056 724 2HG GLU 43 2HG GLU 43 -4.669 2.257 9.001 725 H GLU 44 H GLU 44 -4.602 -1.250 6.561 726 HA GLU 44 HA GLU 44 -3.075 -2.589 8.685 727 1HB GLU 44 2HB GLU 44 -4.580 -4.450 8.153 728 2HB GLU 44 1HB GLU 44 -5.508 -2.954 8.234 729 1HG GLU 44 1HG GLU 44 -5.537 -2.767 5.817 730 2HG GLU 44 2HG GLU 44 -4.439 -4.139 5.657 731 H ALA 45 H ALA 45 -3.117 -2.427 5.159 732 HA ALA 45 HA ALA 45 -1.317 -4.706 4.789 733 1HB ALA 45 1HB ALA 45 -3.158 -3.430 3.284 734 2HB ALA 45 2HB ALA 45 -1.845 -4.371 2.578 735 3HB ALA 45 3HB ALA 45 -1.704 -2.618 2.705 736 H ALA 46 H ALA 46 -0.993 -1.149 4.506 737 HA ALA 46 HA ALA 46 1.840 -1.280 3.878 738 1HB ALA 46 1HB ALA 46 1.657 1.114 3.906 739 2HB ALA 46 3HB ALA 46 0.135 0.499 3.261 740 3HB ALA 46 2HB ALA 46 0.225 1.052 4.935 741 H GLN 47 H GLN 47 0.029 -1.314 6.853 742 HA GLN 47 HA GLN 47 2.102 -0.210 8.559 743 1HB GLN 47 1HB GLN 47 -0.483 -1.668 8.809 744 2HB GLN 47 2HB GLN 47 0.600 -1.732 10.200 745 1HG GLN 47 1HG GLN 47 0.726 0.713 10.253 746 2HG GLN 47 2HG GLN 47 -0.293 0.815 8.816 747 2HE2 GLN 47 2HE2 GLN 47 -2.197 1.734 9.699 748 1HE2 GLN 47 1HE2 GLN 47 -3.090 1.023 10.956 749 H ILE 48 H ILE 48 1.214 -3.503 7.523 750 HA ILE 48 HA ILE 48 2.822 -5.070 9.201 751 HB ILE 48 HB ILE 48 2.225 -5.280 6.233 752 1HG1 ILE 48 1HG1 ILE 48 0.255 -5.190 7.727 753 2HG1 ILE 48 2HG1 ILE 48 0.428 -6.787 6.998 754 1HG2 ILE 48 1HG2 ILE 48 3.764 -7.011 8.061 755 2HG2 ILE 48 2HG2 ILE 48 2.506 -7.847 7.151 756 3HG2 ILE 48 3HG2 ILE 48 3.766 -6.953 6.299 757 1HD1 ILE 48 1HD1 ILE 48 1.964 -6.935 9.323 758 2HD1 ILE 48 2HD1 ILE 48 0.536 -6.021 9.808 759 3HD1 ILE 48 3HD1 ILE 48 0.357 -7.623 9.093 760 H ARG 49 H ARG 49 3.778 -2.961 6.560 761 HA ARG 49 HA ARG 49 6.389 -3.884 6.000 762 1HB ARG 49 1HB ARG 49 5.406 -2.171 4.673 763 2HB ARG 49 2HB ARG 49 5.025 -1.186 6.079 764 1HG ARG 49 1HG ARG 49 7.869 -1.636 5.989 765 2HG ARG 49 2HG ARG 49 7.324 -1.026 4.428 766 1HD ARG 49 1HD ARG 49 7.905 0.815 6.038 767 2HD ARG 49 2HD ARG 49 6.205 0.870 5.531 768 HE ARG 49 HE ARG 49 5.644 -0.311 7.673 769 1HH1 ARG 49 1HH1 ARG 49 8.918 -0.429 7.716 770 2HH1 ARG 49 2HH1 ARG 49 9.145 0.407 9.216 771 1HH2 ARG 49 1HH2 ARG 49 5.848 1.457 9.433 772 2HH2 ARG 49 2HH2 ARG 49 7.406 1.475 10.189 773 H ASP 50 H ASP 50 5.108 -2.274 8.830 774 HA ASP 50 HA ASP 50 7.697 -1.442 9.904 775 1HB ASP 50 1HB ASP 50 5.353 -0.470 10.320 776 2HB ASP 50 2HB ASP 50 5.082 -1.860 11.372 777 H GLN 51 H GLN 51 5.547 -4.237 10.223 778 HA GLN 51 HA GLN 51 7.038 -5.434 12.434 779 1HB GLN 51 2HB GLN 51 5.041 -6.601 10.465 780 2HB GLN 51 1HB GLN 51 5.484 -7.291 12.028 781 1HG GLN 51 1HG GLN 51 4.634 -5.236 13.146 782 2HG GLN 51 2HG GLN 51 4.123 -4.618 11.574 783 2HE2 GLN 51 2HE2 GLN 51 3.875 -7.942 12.951 784 1HE2 GLN 51 1HE2 GLN 51 2.189 -8.047 12.777 785 H LEU 52 H LEU 52 6.851 -5.914 8.904 786 HA LEU 52 HA LEU 52 8.587 -8.180 8.737 787 1HB LEU 52 1HB LEU 52 7.069 -6.566 7.061 788 2HB LEU 52 2HB LEU 52 8.721 -6.258 6.525 789 HG LEU 52 HG LEU 52 7.739 -8.170 5.311 790 1HD1 LEU 52 1HD1 LEU 52 10.224 -8.017 6.268 791 2HD1 LEU 52 2HD1 LEU 52 9.705 -9.441 7.170 792 3HD1 LEU 52 3HD1 LEU 52 9.662 -9.449 5.407 793 1HD2 LEU 52 1HD2 LEU 52 6.614 -8.760 7.805 794 2HD2 LEU 52 2HD2 LEU 52 6.531 -9.767 6.360 795 3HD2 LEU 52 3HD2 LEU 52 7.804 -10.036 7.550 796 H HIS 53 H HIS 53 9.246 -4.676 8.634 797 HA HIS 53 HA HIS 53 12.089 -4.957 8.140 798 1HB HIS 53 1HB HIS 53 10.094 -2.857 8.791 799 2HB HIS 53 2HB HIS 53 11.759 -2.491 9.243 800 HD1 HIS 53 HD1 HIS 53 9.522 -2.917 6.299 801 HD2 HIS 53 HD2 HIS 53 13.597 -2.400 7.011 802 HE1 HIS 53 HE1 HIS 53 10.572 -2.337 4.068 803 H GLN 54 H GLN 54 10.119 -4.417 11.071 804 HA GLN 54 HA GLN 54 12.320 -4.178 12.902 805 1HB GLN 54 1HB GLN 54 9.379 -4.685 12.972 806 2HB GLN 54 2HB GLN 54 10.293 -5.057 14.434 807 1HG GLN 54 1HG GLN 54 11.355 -2.692 14.054 808 2HG GLN 54 2HG GLN 54 9.926 -2.410 13.059 809 2HE2 GLN 54 2HE2 GLN 54 10.998 -3.134 16.377 810 1HE2 GLN 54 1HE2 GLN 54 9.532 -2.708 17.122 811 H LEU 55 H LEU 55 10.436 -6.963 11.739 812 HA LEU 55 HA LEU 55 11.514 -8.918 13.540 813 1HB LEU 55 1HB LEU 55 9.951 -8.757 11.049 814 2HB LEU 55 2HB LEU 55 10.893 -10.242 11.197 815 HG LEU 55 HG LEU 55 9.833 -9.912 13.739 816 1HD1 LEU 55 1HD1 LEU 55 7.880 -8.984 11.626 817 2HD1 LEU 55 2HD1 LEU 55 7.340 -9.686 13.150 818 3HD1 LEU 55 3HD1 LEU 55 8.289 -8.200 13.152 819 1HD2 LEU 55 1HD2 LEU 55 10.038 -11.953 12.177 820 2HD2 LEU 55 2HD2 LEU 55 8.632 -11.904 13.241 821 3HD2 LEU 55 3HD2 LEU 55 8.467 -11.472 11.538 822 H ARG 56 H ARG 56 12.824 -7.362 10.709 823 HA ARG 56 HA ARG 56 14.710 -9.309 9.839 824 1HB ARG 56 1HB ARG 56 14.084 -7.232 8.650 825 2HB ARG 56 2HB ARG 56 14.867 -6.277 9.908 826 1HG ARG 56 1HG ARG 56 16.969 -7.728 9.358 827 2HG ARG 56 2HG ARG 56 16.125 -8.073 7.848 828 1HD ARG 56 1HD ARG 56 16.152 -5.805 7.173 829 2HD ARG 56 2HD ARG 56 16.478 -5.230 8.820 830 HE ARG 56 HE ARG 56 18.642 -6.831 8.350 831 1HH1 ARG 56 1HH1 ARG 56 18.605 -6.646 5.494 832 2HH1 ARG 56 2HH1 ARG 56 19.383 -5.139 5.141 833 1HH2 ARG 56 1HH2 ARG 56 19.001 -3.886 8.352 834 2HH2 ARG 56 2HH2 ARG 56 19.607 -3.577 6.759 835 H GLU 57 H GLU 57 15.441 -6.426 11.846 836 HA GLU 57 HA GLU 57 18.017 -7.212 12.686 837 1HB GLU 57 1HB GLU 57 17.582 -5.592 14.527 838 2HB GLU 57 2HB GLU 57 17.020 -4.978 12.971 839 1HG GLU 57 1HG GLU 57 14.742 -5.504 13.480 840 2HG GLU 57 2HG GLU 57 15.208 -6.458 14.889 841 H LEU 58 H LEU 58 14.882 -8.343 13.741 842 HA LEU 58 HA LEU 58 15.645 -9.415 16.302 843 1HB LEU 58 1HB LEU 58 13.401 -9.430 14.425 844 2HB LEU 58 2HB LEU 58 13.566 -10.964 15.281 845 HG LEU 58 HG LEU 58 13.869 -8.520 16.936 846 1HD1 LEU 58 1HD1 LEU 58 11.227 -9.378 15.722 847 2HD1 LEU 58 2HD1 LEU 58 11.371 -8.309 17.117 848 3HD1 LEU 58 3HD1 LEU 58 12.009 -7.806 15.551 849 1HD2 LEU 58 1HD2 LEU 58 12.619 -11.258 17.158 850 2HD2 LEU 58 2HD2 LEU 58 13.941 -10.574 18.104 851 3HD2 LEU 58 3HD2 LEU 58 12.289 -10.010 18.360 852 H PHE 59 H PHE 59 16.192 -10.480 13.038 853 HA PHE 59 HA PHE 59 16.373 -13.274 13.269 854 1HB PHE 59 1HB PHE 59 16.631 -11.970 11.198 855 2HB PHE 59 2HB PHE 59 18.155 -11.310 11.792 856 HD1 PHE 59 HD1 PHE 59 20.054 -12.966 12.368 857 HD2 PHE 59 HD2 PHE 59 16.574 -14.044 10.049 858 HE1 PHE 59 HE1 PHE 59 21.265 -14.952 11.475 859 HE2 PHE 59 HE2 PHE 59 17.786 -16.031 9.157 860 HZ PHE 59 HZ PHE 59 20.131 -16.486 9.869 861 H ILE 60 H ILE 60 18.773 -10.804 14.194 862 HA ILE 60 HA ILE 60 20.799 -12.736 14.988 863 HB ILE 60 HB ILE 60 20.398 -9.805 15.675 864 1HG1 ILE 60 1HG1 ILE 60 22.395 -10.409 13.659 865 2HG1 ILE 60 2HG1 ILE 60 20.816 -11.027 13.172 866 1HG2 ILE 60 1HG2 ILE 60 22.594 -11.778 16.099 867 2HG2 ILE 60 2HG2 ILE 60 23.060 -10.148 15.611 868 3HG2 ILE 60 3HG2 ILE 60 22.122 -10.393 17.084 869 1HD1 ILE 60 1HD1 ILE 60 19.959 -8.676 13.972 870 2HD1 ILE 60 2HD1 ILE 60 21.642 -8.197 13.752 871 3HD1 ILE 60 3HD1 ILE 60 20.721 -8.830 12.388 872 H ALA 61 H ALA 61 18.438 -10.712 16.758 873 HA ALA 61 HA ALA 61 19.178 -11.482 19.399 874 1HB ALA 61 1HB ALA 61 17.057 -10.096 17.987 875 2HB ALA 61 3HB ALA 61 17.633 -9.847 19.635 876 3HB ALA 61 2HB ALA 61 16.391 -11.056 19.307 877 H ALA 62 H ALA 62 17.367 -13.168 16.923 878 HA ALA 62 HA ALA 62 16.476 -15.230 18.892 879 1HB ALA 62 1HB ALA 62 15.737 -15.398 16.027 880 2HB ALA 62 2HB ALA 62 15.190 -13.941 16.857 881 3HB ALA 62 3HB ALA 62 14.715 -15.530 17.458 882 H SER 63 H SER 63 17.728 -15.243 15.527 883 HA SER 63 HA SER 63 18.966 -17.887 15.994 884 1HB SER 63 1HB SER 63 17.711 -17.387 13.937 885 2HB SER 63 2HB SER 63 18.791 -16.038 13.591 886 HG SER 63 HG SER 63 19.525 -18.777 13.820 No H/Q in entry = 886 Start of MODEL 13 1 H LEU 8 H LEU 8 -23.889 30.483 -23.819 2 HA LEU 8 HA LEU 8 -24.416 27.846 -24.602 3 1HB LEU 8 1HB LEU 8 -22.472 27.317 -23.143 4 2HB LEU 8 2HB LEU 8 -22.205 28.797 -24.066 5 HG LEU 8 HG LEU 8 -23.499 29.647 -21.734 6 1HD1 LEU 8 1HD1 LEU 8 -21.784 27.261 -21.268 7 2HD1 LEU 8 2HD1 LEU 8 -21.554 28.620 -20.169 8 3HD1 LEU 8 3HD1 LEU 8 -23.143 27.873 -20.324 9 1HD2 LEU 8 1HD2 LEU 8 -20.749 29.745 -22.895 10 2HD2 LEU 8 2HD2 LEU 8 -21.844 31.067 -22.491 11 3HD2 LEU 8 3HD2 LEU 8 -20.935 30.255 -21.217 12 H GLU 9 H GLU 9 -25.526 26.144 -23.677 13 HA GLU 9 HA GLU 9 -26.151 26.152 -20.787 14 1HB GLU 9 2HB GLU 9 -28.582 26.090 -21.229 15 2HB GLU 9 1HB GLU 9 -27.873 27.576 -21.858 16 1HG GLU 9 1HG GLU 9 -27.602 25.785 -23.968 17 2HG GLU 9 2HG GLU 9 -29.188 25.401 -23.298 18 HA PRO 10 HA PRO 10 -25.747 22.026 -22.997 19 1HB PRO 10 1HB PRO 10 -23.507 21.147 -21.696 20 2HB PRO 10 2HB PRO 10 -23.442 22.086 -23.201 21 1HG PRO 10 2HG PRO 10 -23.018 22.977 -20.395 22 2HG PRO 10 1HG PRO 10 -22.183 23.469 -21.876 23 1HD PRO 10 1HD PRO 10 -24.118 24.964 -20.658 24 2HD PRO 10 2HD PRO 10 -23.759 25.040 -22.397 25 H ASP 11 H ASP 11 -24.887 22.732 -19.593 26 HA ASP 11 HA ASP 11 -25.694 21.810 -17.579 27 1HB ASP 11 1HB ASP 11 -27.845 21.899 -19.505 28 2HB ASP 11 2HB ASP 11 -28.040 20.489 -18.463 29 H ASN 12 H ASN 12 -27.095 19.344 -19.718 30 HA ASN 12 HA ASN 12 -24.946 17.422 -19.041 31 1HB ASN 12 1HB ASN 12 -26.928 17.701 -17.265 32 2HB ASN 12 2HB ASN 12 -27.748 16.609 -18.383 33 2HD2 ASN 12 2HD2 ASN 12 -25.238 15.239 -19.204 34 1HD2 ASN 12 1HD2 ASN 12 -24.776 14.274 -17.886 35 H VAL 13 H VAL 13 -26.180 18.631 -21.510 36 HA VAL 13 HA VAL 13 -27.722 16.493 -22.772 37 HB VAL 13 HB VAL 13 -26.683 19.220 -23.403 38 1HG1 VAL 13 1HG1 VAL 13 -27.197 17.109 -25.490 39 2HG1 VAL 13 2HG1 VAL 13 -27.585 18.797 -25.823 40 3HG1 VAL 13 3HG1 VAL 13 -25.926 18.333 -25.442 41 1HG2 VAL 13 1HG2 VAL 13 -28.972 18.656 -22.500 42 2HG2 VAL 13 2HG2 VAL 13 -28.982 19.603 -23.989 43 3HG2 VAL 13 3HG2 VAL 13 -29.313 17.871 -24.042 44 HA PRO 14 HA PRO 14 -23.613 15.691 -25.019 45 1HB PRO 14 1HB PRO 14 -21.369 17.046 -24.257 46 2HB PRO 14 2HB PRO 14 -22.504 17.676 -25.467 47 1HG PRO 14 2HG PRO 14 -22.123 18.469 -22.649 48 2HG PRO 14 1HG PRO 14 -22.670 19.424 -24.032 49 1HD PRO 14 1HD PRO 14 -24.296 18.349 -22.027 50 2HD PRO 14 2HD PRO 14 -24.833 18.993 -23.587 51 H MET 15 H MET 15 -22.527 16.777 -21.781 52 HA MET 15 HA MET 15 -22.483 14.141 -20.642 53 1HB MET 15 1HB MET 15 -20.590 14.335 -22.500 54 2HB MET 15 2HB MET 15 -19.711 15.142 -21.201 55 1HG MET 15 1HG MET 15 -19.670 13.235 -19.862 56 2HG MET 15 2HG MET 15 -21.092 12.537 -20.636 57 1HE MET 15 1HE MET 15 -20.845 10.532 -21.582 58 2HE MET 15 2HE MET 15 -19.398 9.792 -22.260 59 3HE MET 15 3HE MET 15 -19.446 10.211 -20.550 60 H ASP 16 H ASP 16 -21.638 14.198 -18.429 61 HA ASP 16 HA ASP 16 -20.384 16.520 -17.280 62 1HB ASP 16 1HB ASP 16 -22.532 17.545 -17.856 63 2HB ASP 16 2HB ASP 16 -23.400 16.245 -17.040 64 H MET 17 H MET 17 -19.297 14.532 -16.464 65 HA MET 17 HA MET 17 -20.793 13.239 -14.209 66 1HB MET 17 1HB MET 17 -19.189 11.364 -14.605 67 2HB MET 17 2HB MET 17 -20.153 11.732 -16.035 68 1HG MET 17 1HG MET 17 -18.332 12.988 -17.019 69 2HG MET 17 2HG MET 17 -17.381 12.853 -15.538 70 1HE MET 17 1HE MET 17 -15.971 11.572 -15.018 71 2HE MET 17 2HE MET 17 -15.696 9.863 -15.375 72 3HE MET 17 3HE MET 17 -15.071 11.103 -16.457 73 H SER 18 H SER 18 -18.000 15.106 -15.126 74 HA SER 18 HA SER 18 -17.298 15.524 -12.303 75 1HB SER 18 1HB SER 18 -15.492 14.057 -14.250 76 2HB SER 18 2HB SER 18 -14.963 14.665 -12.684 77 HG SER 18 HG SER 18 -15.586 12.548 -12.415 78 HA PRO 19 HA PRO 19 -15.700 19.199 -14.123 79 1HB PRO 19 1HB PRO 19 -13.898 20.010 -12.239 80 2HB PRO 19 2HB PRO 19 -15.653 20.059 -11.991 81 1HG PRO 19 1HG PRO 19 -13.657 18.244 -10.853 82 2HG PRO 19 2HG PRO 19 -15.262 18.670 -10.258 83 1HD PRO 19 1HD PRO 19 -14.488 16.301 -11.634 84 2HD PRO 19 2HD PRO 19 -16.121 16.775 -11.120 85 H LYS 20 H LYS 20 -14.070 16.546 -14.572 86 HA LYS 20 HA LYS 20 -12.170 15.977 -15.842 87 1HB LYS 20 1HB LYS 20 -13.109 18.120 -16.988 88 2HB LYS 20 2HB LYS 20 -11.735 18.934 -16.239 89 1HG LYS 20 1HG LYS 20 -11.193 16.383 -17.689 90 2HG LYS 20 2HG LYS 20 -11.552 17.811 -18.662 91 1HD LYS 20 1HD LYS 20 -9.658 18.275 -16.443 92 2HD LYS 20 2HD LYS 20 -9.064 17.198 -17.707 93 1HE LYS 20 1HE LYS 20 -10.448 19.654 -18.657 94 2HE LYS 20 2HE LYS 20 -8.862 19.890 -17.896 95 1HZ LYS 20 1HZ LYS 20 -8.033 18.034 -19.293 96 2HZ LYS 20 2HZ LYS 20 -9.518 18.032 -20.119 97 3HZ LYS 20 3HZ LYS 20 -8.509 19.393 -20.195 98 H ALA 21 H ALA 21 -11.190 19.112 -14.388 99 HA ALA 21 HA ALA 21 -8.527 18.559 -13.839 100 1HB ALA 21 1HB ALA 21 -9.355 20.727 -13.426 101 2HB ALA 21 2HB ALA 21 -10.667 20.130 -12.410 102 3HB ALA 21 3HB ALA 21 -9.010 20.120 -11.806 103 H LEU 22 H LEU 22 -11.294 17.776 -11.711 104 HA LEU 22 HA LEU 22 -9.588 16.416 -9.750 105 1HB LEU 22 1HB LEU 22 -12.547 16.833 -10.207 106 2HB LEU 22 2HB LEU 22 -11.966 15.782 -8.914 107 HG LEU 22 HG LEU 22 -10.551 17.703 -8.096 108 1HD1 LEU 22 1HD1 LEU 22 -11.952 18.983 -10.409 109 2HD1 LEU 22 2HD1 LEU 22 -11.619 19.966 -8.982 110 3HD1 LEU 22 3HD1 LEU 22 -10.293 19.193 -9.852 111 1HD2 LEU 22 1HD2 LEU 22 -12.795 17.132 -7.134 112 2HD2 LEU 22 2HD2 LEU 22 -12.413 18.849 -7.011 113 3HD2 LEU 22 3HD2 LEU 22 -13.527 18.279 -8.255 114 H GLN 23 H GLN 23 -11.906 15.513 -12.271 115 HA GLN 23 HA GLN 23 -12.070 12.733 -11.916 116 1HB GLN 23 1HB GLN 23 -13.332 14.068 -13.558 117 2HB GLN 23 2HB GLN 23 -11.853 14.351 -14.476 118 1HG GLN 23 1HG GLN 23 -11.653 11.782 -14.598 119 2HG GLN 23 2HG GLN 23 -13.340 11.753 -14.080 120 2HE2 GLN 23 2HE2 GLN 23 -12.278 10.935 -16.740 121 1HE2 GLN 23 1HE2 GLN 23 -13.043 11.936 -17.878 122 H GLN 24 H GLN 24 -9.617 14.509 -13.840 123 HA GLN 24 HA GLN 24 -8.083 12.116 -14.449 124 1HB GLN 24 1HB GLN 24 -8.251 14.327 -15.725 125 2HB GLN 24 2HB GLN 24 -7.183 15.007 -14.495 126 1HG GLN 24 2HG GLN 24 -5.691 14.315 -16.182 127 2HG GLN 24 1HG GLN 24 -5.642 12.985 -15.025 128 2HE2 GLN 24 2HE2 GLN 24 -6.221 10.926 -15.797 129 1HE2 GLN 24 1HE2 GLN 24 -6.912 10.636 -17.320 130 H LYS 25 H LYS 25 -8.004 14.564 -11.905 131 HA LYS 25 HA LYS 25 -5.381 13.910 -10.879 132 1HB LYS 25 1HB LYS 25 -7.805 15.449 -10.073 133 2HB LYS 25 2HB LYS 25 -6.670 15.022 -8.792 134 1HG LYS 25 1HG LYS 25 -4.902 16.215 -9.787 135 2HG LYS 25 2HG LYS 25 -5.691 16.245 -11.365 136 1HD LYS 25 1HD LYS 25 -6.675 18.205 -10.872 137 2HD LYS 25 2HD LYS 25 -7.411 17.499 -9.433 138 1HE LYS 25 2HE LYS 25 -6.066 19.252 -8.565 139 2HE LYS 25 1HE LYS 25 -5.041 17.817 -8.362 140 1HZ LYS 25 1HZ LYS 25 -5.016 19.462 -10.827 141 2HZ LYS 25 2HZ LYS 25 -3.970 19.767 -9.525 142 3HZ LYS 25 3HZ LYS 25 -3.890 18.284 -10.345 143 H ILE 26 H ILE 26 -8.689 12.938 -9.919 144 HA ILE 26 HA ILE 26 -7.842 11.235 -7.745 145 HB ILE 26 HB ILE 26 -10.357 11.277 -9.448 146 1HG1 ILE 26 1HG1 ILE 26 -9.879 12.567 -6.750 147 2HG1 ILE 26 2HG1 ILE 26 -9.645 13.433 -8.269 148 1HG2 ILE 26 1HG2 ILE 26 -9.887 9.225 -7.969 149 2HG2 ILE 26 2HG2 ILE 26 -10.068 10.317 -6.596 150 3HG2 ILE 26 3HG2 ILE 26 -11.418 10.059 -7.702 151 1HD1 ILE 26 1HD1 ILE 26 -12.221 12.083 -7.410 152 2HD1 ILE 26 2HD1 ILE 26 -11.912 13.818 -7.348 153 3HD1 ILE 26 3HD1 ILE 26 -11.976 12.988 -8.903 154 H HIS 27 H HIS 27 -8.791 10.564 -11.131 155 HA HIS 27 HA HIS 27 -8.449 7.713 -10.975 156 1HB HIS 27 1HB HIS 27 -8.764 9.839 -13.036 157 2HB HIS 27 2HB HIS 27 -8.102 8.301 -13.592 158 HD1 HIS 27 HD1 HIS 27 -10.659 8.515 -14.813 159 HD2 HIS 27 HD2 HIS 27 -10.450 7.426 -10.795 160 HE1 HIS 27 HE1 HIS 27 -12.864 7.399 -14.258 161 H GLU 28 H GLU 28 -6.198 10.358 -11.365 162 HA GLU 28 HA GLU 28 -4.043 8.735 -12.498 163 1HB GLU 28 1HB GLU 28 -4.475 11.524 -11.491 164 2HB GLU 28 2HB GLU 28 -2.818 10.949 -11.681 165 1HG GLU 28 1HG GLU 28 -4.798 10.549 -13.907 166 2HG GLU 28 2HG GLU 28 -4.008 12.114 -13.708 167 H LEU 29 H LEU 29 -4.928 9.956 -9.272 168 HA LEU 29 HA LEU 29 -2.508 8.951 -7.991 169 1HB LEU 29 1HB LEU 29 -5.001 10.382 -7.325 170 2HB LEU 29 2HB LEU 29 -4.387 9.362 -6.023 171 HG LEU 29 HG LEU 29 -2.122 10.434 -6.378 172 1HD1 LEU 29 1HD1 LEU 29 -3.657 11.691 -8.527 173 2HD1 LEU 29 2HD1 LEU 29 -2.841 12.873 -7.504 174 3HD1 LEU 29 3HD1 LEU 29 -1.910 11.605 -8.300 175 1HD2 LEU 29 1HD2 LEU 29 -4.575 11.847 -5.405 176 2HD2 LEU 29 2HD2 LEU 29 -3.160 11.309 -4.500 177 3HD2 LEU 29 3HD2 LEU 29 -3.072 12.765 -5.491 178 H GLU 30 H GLU 30 -5.846 7.798 -8.397 179 HA GLU 30 HA GLU 30 -5.870 5.628 -6.601 180 1HB GLU 30 1HB GLU 30 -7.756 6.516 -7.978 181 2HB GLU 30 2HB GLU 30 -7.021 5.786 -9.406 182 1HG GLU 30 1HG GLU 30 -7.203 3.837 -7.277 183 2HG GLU 30 2HG GLU 30 -8.787 4.549 -7.590 184 H GLY 31 H GLY 31 -4.737 5.679 -10.000 185 1HA GLY 31 2HA GLY 31 -3.416 4.133 -11.179 186 2HA GLY 31 1HA GLY 31 -3.908 2.916 -9.998 187 H LEU 32 H LEU 32 -2.378 5.925 -9.041 188 HA LEU 32 HA LEU 32 0.350 5.102 -9.024 189 1HB LEU 32 1HB LEU 32 -1.218 7.310 -8.309 190 2HB LEU 32 2HB LEU 32 -0.433 6.826 -6.805 191 HG LEU 32 HG LEU 32 1.743 6.718 -8.169 192 1HD1 LEU 32 1HD1 LEU 32 0.273 6.890 -10.343 193 2HD1 LEU 32 2HD1 LEU 32 0.350 8.624 -10.028 194 3HD1 LEU 32 3HD1 LEU 32 1.835 7.707 -10.283 195 1HD2 LEU 32 1HD2 LEU 32 0.219 9.124 -7.299 196 2HD2 LEU 32 2HD2 LEU 32 1.784 8.526 -6.750 197 3HD2 LEU 32 3HD2 LEU 32 1.664 9.413 -8.270 198 H MET 33 H MET 33 -2.217 4.750 -6.578 199 HA MET 33 HA MET 33 -0.751 3.796 -4.387 200 1HB MET 33 1HB MET 33 -3.482 3.368 -5.538 201 2HB MET 33 2HB MET 33 -2.993 2.364 -4.174 202 1HG MET 33 1HG MET 33 -2.858 4.165 -2.719 203 2HG MET 33 2HG MET 33 -2.503 5.313 -4.010 204 1HE MET 33 1HE MET 33 -5.080 2.519 -3.877 205 2HE MET 33 2HE MET 33 -5.306 3.152 -2.241 206 3HE MET 33 3HE MET 33 -6.595 3.300 -3.434 207 H MET 34 H MET 34 -1.795 2.028 -7.292 208 HA MET 34 HA MET 34 -0.838 -0.559 -6.310 209 1HB MET 34 1HB MET 34 -2.736 -0.322 -7.845 210 2HB MET 34 2HB MET 34 -1.698 0.473 -9.030 211 1HG MET 34 1HG MET 34 -0.716 -1.486 -9.684 212 2HG MET 34 2HG MET 34 -0.760 -2.168 -8.059 213 1HE MET 34 1HE MET 34 -2.703 -2.943 -6.876 214 2HE MET 34 2HE MET 34 -3.942 -1.752 -7.294 215 3HE MET 34 3HE MET 34 -4.244 -3.469 -7.546 216 H GLN 35 H GLN 35 0.430 2.047 -8.330 217 HA GLN 35 HA GLN 35 2.521 0.838 -9.709 218 1HB GLN 35 1HB GLN 35 1.921 3.194 -9.873 219 2HB GLN 35 2HB GLN 35 2.434 3.475 -8.211 220 1HG GLN 35 2HG GLN 35 4.463 3.997 -9.053 221 2HG GLN 35 1HG GLN 35 4.655 2.280 -9.405 222 2HE2 GLN 35 2HE2 GLN 35 3.267 5.273 -10.858 223 1HE2 GLN 35 1HE2 GLN 35 3.575 4.812 -12.462 224 H HIS 36 H HIS 36 3.449 2.657 -6.797 225 HA HIS 36 HA HIS 36 5.804 1.178 -6.289 226 1HB HIS 36 1HB HIS 36 4.058 3.126 -4.938 227 2HB HIS 36 2HB HIS 36 4.990 2.119 -3.832 228 HD1 HIS 36 HD1 HIS 36 6.374 2.951 -7.208 229 HD2 HIS 36 HD2 HIS 36 6.820 4.246 -3.271 230 HE1 HIS 36 HE1 HIS 36 8.427 4.433 -7.171 231 H ALA 37 H ALA 37 2.473 0.594 -5.227 232 HA ALA 37 HA ALA 37 2.822 -1.284 -3.175 233 1HB ALA 37 1HB ALA 37 0.846 -1.103 -5.468 234 2HB ALA 37 3HB ALA 37 0.638 -2.207 -4.108 235 3HB ALA 37 2HB ALA 37 0.655 -0.464 -3.836 236 H GLN 38 H GLN 38 2.985 -1.797 -6.700 237 HA GLN 38 HA GLN 38 3.212 -4.629 -6.727 238 1HB GLN 38 1HB GLN 38 3.992 -2.319 -8.458 239 2HB GLN 38 2HB GLN 38 4.666 -3.900 -8.858 240 1HG GLN 38 1HG GLN 38 2.224 -4.757 -8.626 241 2HG GLN 38 2HG GLN 38 1.774 -3.057 -8.772 242 2HE2 GLN 38 2HE2 GLN 38 0.776 -4.215 -10.868 243 1HE2 GLN 38 1HE2 GLN 38 1.759 -4.154 -12.250 244 H ASN 39 H ASN 39 5.709 -2.109 -6.354 245 HA ASN 39 HA ASN 39 7.831 -4.152 -6.063 246 1HB ASN 39 1HB ASN 39 7.618 -1.162 -6.280 247 2HB ASN 39 2HB ASN 39 9.109 -1.876 -5.668 248 2HD2 ASN 39 2HD2 ASN 39 8.950 -0.484 -8.211 249 1HD2 ASN 39 1HD2 ASN 39 9.262 -1.617 -9.436 250 H LEU 40 H LEU 40 5.509 -3.481 -4.034 251 HA LEU 40 HA LEU 40 5.287 -3.421 -1.692 252 1HB LEU 40 1HB LEU 40 7.912 -4.719 -2.314 253 2HB LEU 40 2HB LEU 40 7.545 -4.357 -0.627 254 HG LEU 40 HG LEU 40 5.187 -5.450 -1.387 255 1HD1 LEU 40 1HD1 LEU 40 7.354 -6.755 -3.057 256 2HD1 LEU 40 2HD1 LEU 40 5.785 -7.493 -2.739 257 3HD1 LEU 40 3HD1 LEU 40 5.881 -5.982 -3.643 258 1HD2 LEU 40 1HD2 LEU 40 7.715 -6.621 -0.262 259 2HD2 LEU 40 2HD2 LEU 40 6.179 -6.305 0.547 260 3HD2 LEU 40 3HD2 LEU 40 6.333 -7.676 -0.553 261 H GLU 41 H GLU 41 6.624 -1.100 -3.229 262 HA GLU 41 HA GLU 41 8.093 0.152 -0.934 263 1HB GLU 41 1HB GLU 41 8.032 0.569 -3.928 264 2HB GLU 41 2HB GLU 41 8.745 1.763 -2.843 265 1HG GLU 41 1HG GLU 41 9.552 -1.124 -2.613 266 2HG GLU 41 2HG GLU 41 10.271 -0.114 -3.867 267 H PHE 42 H PHE 42 5.052 -0.088 -1.543 268 HA PHE 42 HA PHE 42 4.238 2.581 -2.120 269 1HB PHE 42 1HB PHE 42 1.994 1.653 -1.710 270 2HB PHE 42 2HB PHE 42 2.949 0.613 -2.752 271 HD1 PHE 42 HD1 PHE 42 4.412 0.129 0.419 272 HD2 PHE 42 HD2 PHE 42 0.781 -0.748 -1.762 273 HE1 PHE 42 HE1 PHE 42 3.956 -1.776 1.937 274 HE2 PHE 42 HE2 PHE 42 0.340 -2.662 -0.234 275 HZ PHE 42 HZ PHE 42 1.923 -3.174 1.612 276 H GLU 43 H GLU 43 5.915 2.106 0.451 277 HA GLU 43 HA GLU 43 4.356 2.516 2.773 278 1HB GLU 43 1HB GLU 43 6.762 2.171 2.836 279 2HB GLU 43 2HB GLU 43 7.041 3.613 1.862 280 1HG GLU 43 1HG GLU 43 5.966 4.960 3.713 281 2HG GLU 43 2HG GLU 43 5.983 3.495 4.697 282 H GLU 44 H GLU 44 5.854 4.984 0.672 283 HA GLU 44 HA GLU 44 4.131 7.114 1.731 284 1HB GLU 44 1HB GLU 44 5.431 8.477 0.129 285 2HB GLU 44 2HB GLU 44 6.508 7.447 1.074 286 1HG GLU 44 1HG GLU 44 6.808 5.925 -0.727 287 2HG GLU 44 2HG GLU 44 5.436 6.583 -1.617 288 H ALA 45 H ALA 45 4.185 4.863 -0.967 289 HA ALA 45 HA ALA 45 2.395 6.300 -2.726 290 1HB ALA 45 1HB ALA 45 2.511 4.333 -3.995 291 2HB ALA 45 3HB ALA 45 3.995 4.230 -3.049 292 3HB ALA 45 2HB ALA 45 2.577 3.297 -2.566 293 H ALA 46 H ALA 46 1.791 3.591 -0.439 294 HA ALA 46 HA ALA 46 -1.000 3.389 -0.832 295 1HB ALA 46 1HB ALA 46 0.913 2.187 0.704 296 2HB ALA 46 3HB ALA 46 -0.816 1.900 0.893 297 3HB ALA 46 2HB ALA 46 0.005 3.066 1.933 298 H GLN 47 H GLN 47 0.842 5.786 0.967 299 HA GLN 47 HA GLN 47 -1.188 6.831 2.651 300 1HB GLN 47 1HB GLN 47 1.128 8.085 1.153 301 2HB GLN 47 2HB GLN 47 0.176 8.965 2.349 302 1HG GLN 47 1HG GLN 47 0.718 6.712 3.755 303 2HG GLN 47 2HG GLN 47 2.160 6.794 2.740 304 2HE2 GLN 47 2HE2 GLN 47 0.216 8.736 5.050 305 1HE2 GLN 47 1HE2 GLN 47 1.502 9.736 5.528 306 H ILE 48 H ILE 48 -0.632 7.193 -0.812 307 HA ILE 48 HA ILE 48 -2.230 9.434 -1.426 308 HB ILE 48 HB ILE 48 -1.814 6.787 -2.858 309 1HG1 ILE 48 1HG1 ILE 48 -0.473 9.476 -3.265 310 2HG1 ILE 48 2HG1 ILE 48 0.212 8.182 -2.280 311 1HG2 ILE 48 1HG2 ILE 48 -3.322 9.231 -3.584 312 2HG2 ILE 48 2HG2 ILE 48 -2.217 8.631 -4.821 313 3HG2 ILE 48 3HG2 ILE 48 -3.488 7.583 -4.192 314 1HD1 ILE 48 1HD1 ILE 48 0.008 6.675 -4.314 315 2HD1 ILE 48 2HD1 ILE 48 -0.376 8.121 -5.248 316 3HD1 ILE 48 3HD1 ILE 48 1.194 7.971 -4.460 317 H ARG 49 H ARG 49 -3.143 6.198 -0.441 318 HA ARG 49 HA ARG 49 -5.829 6.039 -1.280 319 1HB ARG 49 1HB ARG 49 -4.733 4.181 -0.248 320 2HB ARG 49 2HB ARG 49 -4.305 5.126 1.174 321 1HG ARG 49 1HG ARG 49 -7.160 5.190 0.856 322 2HG ARG 49 2HG ARG 49 -6.616 3.514 0.782 323 1HD ARG 49 1HD ARG 49 -7.081 4.253 3.130 324 2HD ARG 49 2HD ARG 49 -5.379 3.808 2.900 325 HE ARG 49 HE ARG 49 -4.892 6.253 2.630 326 1HH1 ARG 49 1HH1 ARG 49 -8.178 6.207 2.726 327 2HH1 ARG 49 2HH1 ARG 49 -8.364 7.276 4.076 328 1HH2 ARG 49 1HH2 ARG 49 -5.000 7.227 4.918 329 2HH2 ARG 49 2HH2 ARG 49 -6.566 7.854 5.317 330 H ASP 50 H ASP 50 -4.344 8.006 1.216 331 HA ASP 50 HA ASP 50 -6.828 8.733 2.563 332 1HB ASP 50 1HB ASP 50 -4.471 8.728 3.504 333 2HB ASP 50 2HB ASP 50 -4.147 10.151 2.514 334 H GLN 51 H GLN 51 -4.849 10.076 -0.050 335 HA GLN 51 HA GLN 51 -6.361 12.575 -0.216 336 1HB GLN 51 2HB GLN 51 -4.468 11.216 -2.164 337 2HB GLN 51 1HB GLN 51 -4.919 12.921 -2.172 338 1HG GLN 51 1HG GLN 51 -3.815 13.315 -0.080 339 2HG GLN 51 2HG GLN 51 -3.593 11.586 0.199 340 2HE2 GLN 51 2HE2 GLN 51 -3.070 13.189 -2.944 341 1HE2 GLN 51 1HE2 GLN 51 -1.397 12.912 -2.994 342 H LEU 52 H LEU 52 -6.455 9.397 -1.742 343 HA LEU 52 HA LEU 52 -8.138 10.027 -3.972 344 1HB LEU 52 1HB LEU 52 -6.862 7.813 -2.796 345 2HB LEU 52 2HB LEU 52 -8.576 7.398 -2.809 346 HG LEU 52 HG LEU 52 -7.462 6.695 -4.905 347 1HD1 LEU 52 1HD1 LEU 52 -9.430 8.990 -5.152 348 2HD1 LEU 52 2HD1 LEU 52 -9.015 7.898 -6.473 349 3HD1 LEU 52 3HD1 LEU 52 -9.817 7.273 -5.031 350 1HD2 LEU 52 1HD2 LEU 52 -6.157 9.178 -4.627 351 2HD2 LEU 52 2HD2 LEU 52 -5.989 8.038 -5.962 352 3HD2 LEU 52 3HD2 LEU 52 -7.174 9.340 -6.059 353 H HIS 53 H HIS 53 -8.890 9.020 -0.633 354 HA HIS 53 HA HIS 53 -11.780 9.022 -1.094 355 1HB HIS 53 1HB HIS 53 -10.282 7.672 0.567 356 2HB HIS 53 2HB HIS 53 -10.378 9.117 1.572 357 HD1 HIS 53 HD1 HIS 53 -12.437 9.363 2.978 358 HD2 HIS 53 HD2 HIS 53 -12.988 6.615 -0.108 359 HE1 HIS 53 HE1 HIS 53 -14.720 8.327 3.339 360 H GLN 54 H GLN 54 -9.369 11.320 0.019 361 HA GLN 54 HA GLN 54 -11.306 13.164 1.217 362 1HB GLN 54 1HB GLN 54 -8.374 13.018 0.643 363 2HB GLN 54 2HB GLN 54 -9.072 14.608 0.951 364 1HG GLN 54 1HG GLN 54 -9.748 12.340 2.796 365 2HG GLN 54 2HG GLN 54 -8.189 13.150 2.965 366 2HE2 GLN 54 2HE2 GLN 54 -8.328 15.633 3.155 367 1HE2 GLN 54 1HE2 GLN 54 -9.662 16.281 3.981 368 H LEU 55 H LEU 55 -9.616 12.847 -1.885 369 HA LEU 55 HA LEU 55 -10.276 15.422 -2.952 370 1HB LEU 55 1HB LEU 55 -9.182 12.842 -3.806 371 2HB LEU 55 2HB LEU 55 -10.077 13.662 -5.087 372 HG LEU 55 HG LEU 55 -8.624 15.722 -3.953 373 1HD1 LEU 55 1HD1 LEU 55 -7.023 13.155 -3.899 374 2HD1 LEU 55 2HD1 LEU 55 -6.263 14.744 -3.994 375 3HD1 LEU 55 3HD1 LEU 55 -7.246 14.319 -2.593 376 1HD2 LEU 55 1HD2 LEU 55 -8.770 14.252 -6.415 377 2HD2 LEU 55 2HD2 LEU 55 -8.242 15.916 -6.165 378 3HD2 LEU 55 3HD2 LEU 55 -7.076 14.597 -6.065 379 H ARG 56 H ARG 56 -12.138 12.445 -2.703 380 HA ARG 56 HA ARG 56 -14.069 12.939 -4.740 381 1HB ARG 56 1HB ARG 56 -15.352 11.272 -3.541 382 2HB ARG 56 2HB ARG 56 -13.649 10.840 -3.400 383 1HG ARG 56 2HG ARG 56 -14.157 10.676 -1.179 384 2HG ARG 56 1HG ARG 56 -13.918 12.423 -1.211 385 1HD ARG 56 2HD ARG 56 -16.046 12.077 -0.146 386 2HD ARG 56 1HD ARG 56 -16.427 12.584 -1.804 387 HE ARG 56 HE ARG 56 -16.144 9.792 -1.908 388 1HH1 ARG 56 1HH1 ARG 56 -17.541 10.910 0.814 389 2HH1 ARG 56 2HH1 ARG 56 -19.161 10.413 0.455 390 1HH2 ARG 56 1HH2 ARG 56 -18.481 9.663 -2.862 391 2HH2 ARG 56 2HH2 ARG 56 -19.694 9.707 -1.625 392 H GLU 57 H GLU 57 -13.646 14.372 -1.576 393 HA GLU 57 HA GLU 57 -16.349 15.416 -1.313 394 1HB GLU 57 1HB GLU 57 -13.729 16.304 -0.062 395 2HB GLU 57 2HB GLU 57 -15.346 16.628 0.563 396 1HG GLU 57 1HG GLU 57 -15.700 14.138 0.722 397 2HG GLU 57 2HG GLU 57 -13.998 13.928 0.304 398 H LEU 58 H LEU 58 -13.258 16.687 -2.532 399 HA LEU 58 HA LEU 58 -13.975 19.402 -2.901 400 1HB LEU 58 1HB LEU 58 -12.082 17.433 -4.127 401 2HB LEU 58 2HB LEU 58 -12.274 18.999 -4.916 402 HG LEU 58 HG LEU 58 -12.071 19.579 -2.174 403 1HD1 LEU 58 1HD1 LEU 58 -10.026 17.517 -3.056 404 2HD1 LEU 58 2HD1 LEU 58 -9.901 18.496 -1.594 405 3HD1 LEU 58 3HD1 LEU 58 -11.210 17.326 -1.762 406 1HD2 LEU 58 1HD2 LEU 58 -11.055 20.516 -4.502 407 2HD2 LEU 58 2HD2 LEU 58 -10.415 20.981 -2.925 408 3HD2 LEU 58 3HD2 LEU 58 -9.623 19.712 -3.859 409 H PHE 59 H PHE 59 -15.057 16.565 -4.595 410 HA PHE 59 HA PHE 59 -15.692 17.436 -7.164 411 1HB PHE 59 1HB PHE 59 -16.076 15.181 -6.319 412 2HB PHE 59 2HB PHE 59 -17.294 15.776 -5.191 413 HD1 PHE 59 HD1 PHE 59 -16.522 15.990 -8.878 414 HD2 PHE 59 HD2 PHE 59 -19.530 15.527 -5.815 415 HE1 PHE 59 HE1 PHE 59 -18.274 15.748 -10.634 416 HE2 PHE 59 HE2 PHE 59 -21.282 15.287 -7.571 417 HZ PHE 59 HZ PHE 59 -20.654 15.397 -9.982 418 H ILE 60 H ILE 60 -17.550 18.046 -4.171 419 HA ILE 60 HA ILE 60 -19.654 19.530 -5.526 420 HB ILE 60 HB ILE 60 -18.760 19.329 -2.631 421 1HG1 ILE 60 1HG1 ILE 60 -21.165 18.004 -3.868 422 2HG1 ILE 60 2HG1 ILE 60 -19.573 17.258 -4.019 423 1HG2 ILE 60 1HG2 ILE 60 -20.598 21.119 -3.838 424 2HG2 ILE 60 2HG2 ILE 60 -21.561 19.893 -3.013 425 3HG2 ILE 60 3HG2 ILE 60 -20.362 20.824 -2.115 426 1HD1 ILE 60 1HD1 ILE 60 -20.357 18.201 -1.306 427 2HD1 ILE 60 2HD1 ILE 60 -21.192 16.776 -1.923 428 3HD1 ILE 60 3HD1 ILE 60 -19.436 16.773 -1.778 429 H ALA 61 H ALA 61 -16.628 20.369 -3.883 430 HA ALA 61 HA ALA 61 -17.127 23.240 -3.878 431 1HB ALA 61 1HB ALA 61 -15.158 21.304 -2.979 432 2HB ALA 61 2HB ALA 61 -15.484 22.921 -2.357 433 3HB ALA 61 3HB ALA 61 -14.368 22.704 -3.705 434 H ALA 62 H ALA 62 -15.968 20.954 -6.222 435 HA ALA 62 HA ALA 62 -14.766 23.128 -7.879 436 1HB ALA 62 1HB ALA 62 -13.769 20.751 -7.226 437 2HB ALA 62 3HB ALA 62 -13.492 21.429 -8.831 438 3HB ALA 62 2HB ALA 62 -14.749 20.216 -8.591 439 H SER 63 H SER 63 -16.898 20.273 -8.333 440 HA SER 63 HA SER 63 -17.928 21.202 -10.874 441 1HB SER 63 1HB SER 63 -17.788 18.834 -10.029 442 2HB SER 63 2HB SER 63 -19.079 19.213 -8.893 443 HG SER 63 HG SER 63 -19.146 18.841 -11.640 444 H LEU 8 H LEU 8 23.742 -31.999 21.923 445 HA LEU 8 HA LEU 8 24.201 -32.010 19.161 446 1HB LEU 8 1HB LEU 8 22.287 -30.425 19.115 447 2HB LEU 8 2HB LEU 8 22.022 -31.724 20.277 448 HG LEU 8 HG LEU 8 23.389 -29.755 21.724 449 1HD1 LEU 8 1HD1 LEU 8 21.646 -28.598 19.609 450 2HD1 LEU 8 2HD1 LEU 8 21.467 -27.924 21.229 451 3HD1 LEU 8 3HD1 LEU 8 23.039 -27.892 20.430 452 1HD2 LEU 8 1HD2 LEU 8 20.614 -30.843 21.554 453 2HD2 LEU 8 2HD2 LEU 8 21.742 -30.852 22.910 454 3HD2 LEU 8 3HD2 LEU 8 20.851 -29.383 22.514 455 H GLU 9 H GLU 9 25.305 -30.661 17.765 456 HA GLU 9 HA GLU 9 26.003 -27.906 18.578 457 1HB GLU 9 2HB GLU 9 28.422 -28.360 18.334 458 2HB GLU 9 1HB GLU 9 27.722 -29.372 19.599 459 1HG GLU 9 1HG GLU 9 27.367 -30.879 17.289 460 2HG GLU 9 2HG GLU 9 28.962 -30.159 17.073 461 HA PRO 10 HA PRO 10 25.471 -28.845 14.005 462 1HB PRO 10 1HB PRO 10 23.249 -27.304 13.585 463 2HB PRO 10 2HB PRO 10 23.164 -29.012 14.059 464 1HG PRO 10 2HG PRO 10 22.827 -26.567 15.720 465 2HG PRO 10 1HG PRO 10 21.962 -28.110 15.792 466 1HD PRO 10 1HD PRO 10 23.953 -27.406 17.525 467 2HD PRO 10 2HD PRO 10 23.552 -29.088 17.112 468 H ASP 11 H ASP 11 24.710 -25.765 15.668 469 HA ASP 11 HA ASP 11 25.552 -23.588 15.336 470 1HB ASP 11 1HB ASP 11 27.654 -25.502 14.823 471 2HB ASP 11 2HB ASP 11 27.852 -24.107 13.762 472 H ASN 12 H ASN 12 26.855 -24.965 12.332 473 HA ASN 12 HA ASN 12 24.691 -23.728 10.732 474 1HB ASN 12 1HB ASN 12 26.722 -22.143 11.457 475 2HB ASN 12 2HB ASN 12 27.493 -22.920 10.074 476 2HD2 ASN 12 2HD2 ASN 12 24.939 -23.270 8.586 477 1HD2 ASN 12 1HD2 ASN 12 24.495 -21.723 8.046 478 H VAL 13 H VAL 13 25.882 -26.462 11.162 479 HA VAL 13 HA VAL 13 27.353 -27.095 8.717 480 HB VAL 13 HB VAL 13 26.347 -28.454 11.177 481 1HG1 VAL 13 1HG1 VAL 13 26.771 -29.866 8.550 482 2HG1 VAL 13 2HG1 VAL 13 27.179 -30.673 10.064 483 3HG1 VAL 13 3HG1 VAL 13 25.523 -30.143 9.766 484 1HG2 VAL 13 1HG2 VAL 13 28.648 -27.474 10.838 485 2HG2 VAL 13 2HG2 VAL 13 28.637 -29.170 11.323 486 3HG2 VAL 13 3HG2 VAL 13 28.936 -28.735 9.639 487 HA PRO 14 HA PRO 14 23.176 -28.942 7.410 488 1HB PRO 14 1HB PRO 14 20.976 -28.552 8.980 489 2HB PRO 14 2HB PRO 14 22.090 -29.912 9.212 490 1HG PRO 14 2HG PRO 14 21.795 -27.429 10.781 491 2HG PRO 14 1HG PRO 14 22.324 -29.037 11.291 492 1HD PRO 14 1HD PRO 14 23.981 -26.841 10.791 493 2HD PRO 14 2HD PRO 14 24.490 -28.531 10.953 494 H MET 15 H MET 15 22.191 -26.125 9.396 495 HA MET 15 HA MET 15 22.131 -24.283 7.193 496 1HB MET 15 1HB MET 15 20.195 -26.083 6.897 497 2HB MET 15 2HB MET 15 19.363 -25.049 8.060 498 1HG MET 15 1HG MET 15 19.322 -23.223 6.614 499 2HG MET 15 2HG MET 15 20.712 -23.795 5.690 500 1HE MET 15 1HE MET 15 20.406 -24.128 3.506 501 2HE MET 15 2HE MET 15 18.929 -24.539 2.639 502 3HE MET 15 3HE MET 15 19.028 -23.019 3.525 503 H ASP 16 H ASP 16 21.344 -22.161 7.895 504 HA ASP 16 HA ASP 16 20.161 -21.695 10.477 505 1HB ASP 16 1HB ASP 16 22.310 -22.581 11.245 506 2HB ASP 16 2HB ASP 16 23.176 -21.446 10.209 507 H MET 17 H MET 17 19.059 -20.327 8.830 508 HA MET 17 HA MET 17 20.590 -17.827 8.193 509 1HB MET 17 1HB MET 17 18.943 -17.642 6.322 510 2HB MET 17 2HB MET 17 19.876 -19.137 6.246 511 1HG MET 17 1HG MET 17 18.053 -20.402 7.215 512 2HG MET 17 2HG MET 17 17.139 -18.926 7.527 513 1HE MET 17 1HE MET 17 15.720 -18.036 6.482 514 2HE MET 17 2HE MET 17 15.406 -17.886 4.748 515 3HE MET 17 3HE MET 17 14.776 -19.265 5.645 516 H SER 18 H SER 18 17.807 -19.182 9.790 517 HA SER 18 HA SER 18 17.184 -16.582 11.007 518 1HB SER 18 1HB SER 18 15.304 -17.996 9.092 519 2HB SER 18 2HB SER 18 14.826 -16.658 10.134 520 HG SER 18 HG SER 18 15.419 -15.810 8.165 521 HA PRO 19 HA PRO 19 15.606 -19.339 14.054 522 1HB PRO 19 1HB PRO 19 13.867 -17.729 15.409 523 2HB PRO 19 2HB PRO 19 15.628 -17.538 15.484 524 1HG PRO 19 1HG PRO 19 13.630 -15.894 14.115 525 2HG PRO 19 2HG PRO 19 15.256 -15.475 14.653 526 1HD PRO 19 1HD PRO 19 14.407 -16.106 12.010 527 2HD PRO 19 2HD PRO 19 16.060 -15.779 12.572 528 H LYS 20 H LYS 20 13.919 -18.984 11.423 529 HA LYS 20 HA LYS 20 11.977 -20.003 10.563 530 1HB LYS 20 1HB LYS 20 12.924 -21.728 12.269 531 2HB LYS 20 2HB LYS 20 11.584 -21.215 13.293 532 1HG LYS 20 1HG LYS 20 10.961 -21.870 10.451 533 2HG LYS 20 2HG LYS 20 11.319 -23.214 11.535 534 1HD LYS 20 1HD LYS 20 9.492 -21.183 12.655 535 2HD LYS 20 2HD LYS 20 8.847 -22.076 11.277 536 1HE LYS 20 1HE LYS 20 10.248 -23.712 13.330 537 2HE LYS 20 2HE LYS 20 8.685 -23.019 13.810 538 1HZ LYS 20 1HZ LYS 20 7.790 -23.814 11.655 539 2HZ LYS 20 2HZ LYS 20 9.253 -24.634 11.382 540 3HZ LYS 20 3HZ LYS 20 8.266 -25.075 12.689 541 H ALA 21 H ALA 21 11.090 -19.479 14.004 542 HA ALA 21 HA ALA 21 8.432 -18.745 13.693 543 1HB ALA 21 1HB ALA 21 10.634 -17.863 15.552 544 2HB ALA 21 3HB ALA 21 8.993 -17.250 15.754 545 3HB ALA 21 2HB ALA 21 9.308 -18.981 15.869 546 H LEU 22 H LEU 22 11.237 -16.537 13.480 547 HA LEU 22 HA LEU 22 9.559 -14.237 12.772 548 1HB LEU 22 1HB LEU 22 12.512 -14.851 12.972 549 2HB LEU 22 2HB LEU 22 11.946 -13.303 12.345 550 HG LEU 22 HG LEU 22 10.587 -13.035 14.452 551 1HD1 LEU 22 1HD1 LEU 22 11.950 -15.644 14.990 552 2HD1 LEU 22 2HD1 LEU 22 11.671 -14.549 16.345 553 3HD1 LEU 22 3HD1 LEU 22 10.311 -15.138 15.389 554 1HD2 LEU 22 1HD2 LEU 22 12.843 -11.996 14.124 555 2HD2 LEU 22 2HD2 LEU 22 12.495 -12.358 15.814 556 3HD2 LEU 22 3HD2 LEU 22 13.567 -13.410 14.888 557 H GLN 23 H GLN 23 11.795 -16.443 11.135 558 HA GLN 23 HA GLN 23 11.919 -15.315 8.568 559 1HB GLN 23 1HB GLN 23 13.163 -17.292 9.351 560 2HB GLN 23 2HB GLN 23 11.667 -18.225 9.398 561 1HG GLN 23 1HG GLN 23 11.418 -17.607 6.905 562 2HG GLN 23 2HG GLN 23 13.117 -17.137 6.985 563 2HE2 GLN 23 2HE2 GLN 23 11.973 -19.433 5.472 564 1HE2 GLN 23 1HE2 GLN 23 12.727 -20.823 6.090 565 H GLN 24 H GLN 24 9.450 -17.617 9.784 566 HA GLN 24 HA GLN 24 7.860 -17.490 7.354 567 1HB GLN 24 1HB GLN 24 8.033 -19.346 9.108 568 2HB GLN 24 2HB GLN 24 7.010 -18.339 10.134 569 1HG GLN 24 2HG GLN 24 5.464 -19.731 9.028 570 2HG GLN 24 1HG GLN 24 5.421 -18.242 8.082 571 2HE2 GLN 24 2HE2 GLN 24 5.943 -18.409 5.875 572 1HE2 GLN 24 1HE2 GLN 24 6.590 -19.800 5.149 573 H LYS 25 H LYS 25 7.888 -15.746 10.424 574 HA LYS 25 HA LYS 25 5.281 -14.525 10.151 575 1HB LYS 25 1HB LYS 25 7.752 -14.238 11.798 576 2HB LYS 25 2HB LYS 25 6.643 -12.866 11.778 577 1HG LYS 25 1HG LYS 25 4.871 -14.125 12.682 578 2HG LYS 25 2HG LYS 25 5.619 -15.661 12.244 579 1HD LYS 25 1HD LYS 25 6.651 -15.765 14.239 580 2HD LYS 25 2HD LYS 25 7.411 -14.198 13.953 581 1HE LYS 25 2HE LYS 25 6.118 -13.838 15.912 582 2HE LYS 25 1HE LYS 25 5.074 -13.217 14.618 583 1HZ LYS 25 1HZ LYS 25 5.015 -16.047 15.497 584 2HZ LYS 25 2HZ LYS 25 4.007 -14.864 16.184 585 3HZ LYS 25 3HZ LYS 25 3.881 -15.228 14.532 586 H ILE 26 H ILE 26 8.596 -13.393 9.412 587 HA ILE 26 HA ILE 26 7.775 -10.810 8.417 588 HB ILE 26 HB ILE 26 10.245 -12.502 7.913 589 1HG1 ILE 26 1HG1 ILE 26 9.860 -10.273 9.927 590 2HG1 ILE 26 2HG1 ILE 26 9.601 -11.971 10.332 591 1HG2 ILE 26 1HG2 ILE 26 9.777 -10.493 6.377 592 2HG2 ILE 26 2HG2 ILE 26 10.013 -9.490 7.809 593 3HG2 ILE 26 3HG2 ILE 26 11.329 -10.504 7.216 594 1HD1 ILE 26 1HD1 ILE 26 12.175 -10.814 9.219 595 2HD1 ILE 26 2HD1 ILE 26 11.898 -11.241 10.908 596 3HD1 ILE 26 3HD1 ILE 26 11.909 -12.498 9.669 597 H HIS 27 H HIS 27 8.625 -13.884 6.791 598 HA HIS 27 HA HIS 27 8.236 -12.916 4.109 599 1HB HIS 27 1HB HIS 27 8.536 -15.502 5.556 600 2HB HIS 27 2HB HIS 27 7.833 -15.585 3.939 601 HD1 HIS 27 HD1 HIS 27 10.363 -16.866 3.737 602 HD2 HIS 27 HD2 HIS 27 10.237 -12.701 3.838 603 HE1 HIS 27 HE1 HIS 27 12.561 -16.060 2.771 604 H GLU 28 H GLU 28 6.024 -13.997 6.588 605 HA GLU 28 HA GLU 28 3.812 -14.581 4.762 606 1HB GLU 28 1HB GLU 28 4.318 -14.416 7.712 607 2HB GLU 28 2HB GLU 28 2.648 -14.403 7.147 608 1HG GLU 28 1HG GLU 28 4.563 -16.462 6.085 609 2HG GLU 28 2HG GLU 28 3.805 -16.700 7.660 610 H LEU 29 H LEU 29 4.800 -11.853 6.828 611 HA LEU 29 HA LEU 29 2.397 -10.292 6.285 612 1HB LEU 29 1HB LEU 29 4.930 -10.109 7.786 613 2HB LEU 29 2HB LEU 29 4.332 -8.559 7.193 614 HG LEU 29 HG LEU 29 2.079 -9.159 8.174 615 1HD1 LEU 29 1HD1 LEU 29 3.580 -11.607 8.733 616 2HD1 LEU 29 2HD1 LEU 29 2.810 -10.947 10.176 617 3HD1 LEU 29 3HD1 LEU 29 1.837 -11.331 8.756 618 1HD2 LEU 29 1HD2 LEU 29 4.579 -8.676 9.745 619 2HD2 LEU 29 2HD2 LEU 29 3.178 -7.629 9.520 620 3HD2 LEU 29 3HD2 LEU 29 3.091 -8.990 10.637 621 H GLU 30 H GLU 30 5.703 -10.419 4.985 622 HA GLU 30 HA GLU 30 5.735 -8.081 3.414 623 1HB GLU 30 1HB GLU 30 7.600 -9.690 3.828 624 2HB GLU 30 2HB GLU 30 6.816 -10.837 2.742 625 1HG GLU 30 1HG GLU 30 7.019 -8.247 1.474 626 2HG GLU 30 2HG GLU 30 8.606 -8.779 2.028 627 H GLY 31 H GLY 31 4.516 -11.331 2.527 628 1HA GLY 31 2HA GLY 31 3.139 -11.996 0.739 629 2HA GLY 31 1HA GLY 31 3.639 -10.530 -0.103 630 H LEU 32 H LEU 32 2.188 -10.437 3.090 631 HA LEU 32 HA LEU 32 -0.554 -10.133 2.371 632 1HB LEU 32 1HB LEU 32 1.070 -10.105 4.652 633 2HB LEU 32 2HB LEU 32 0.315 -8.511 4.635 634 HG LEU 32 HG LEU 32 -1.896 -9.745 4.196 635 1HD1 LEU 32 1HD1 LEU 32 -0.479 -11.907 3.709 636 2HD1 LEU 32 2HD1 LEU 32 -0.517 -12.096 5.462 637 3HD1 LEU 32 3HD1 LEU 32 -2.024 -12.050 4.547 638 1HD2 LEU 32 1HD2 LEU 32 -0.308 -9.625 6.713 639 2HD2 LEU 32 2HD2 LEU 32 -1.869 -8.898 6.334 640 3HD2 LEU 32 3HD2 LEU 32 -1.772 -10.609 6.750 641 H MET 33 H MET 33 2.069 -7.739 2.667 642 HA MET 33 HA MET 33 0.642 -5.339 2.408 643 1HB MET 33 1HB MET 33 3.335 -6.374 1.605 644 2HB MET 33 2HB MET 33 2.862 -4.771 1.042 645 1HG MET 33 1HG MET 33 2.796 -3.886 3.184 646 2HG MET 33 2HG MET 33 2.430 -5.443 3.927 647 1HE MET 33 1HE MET 33 4.960 -4.573 1.223 648 2HE MET 33 2HE MET 33 5.237 -3.186 2.286 649 3HE MET 33 3HE MET 33 6.499 -4.395 2.062 650 H MET 34 H MET 34 1.581 -7.641 -0.136 651 HA MET 34 HA MET 34 0.603 -5.946 -2.314 652 1HB MET 34 1HB MET 34 2.466 -7.522 -2.567 653 2HB MET 34 2HB MET 34 1.412 -8.864 -2.118 654 1HG MET 34 1HG MET 34 0.381 -8.915 -4.157 655 2HG MET 34 2HG MET 34 0.454 -7.164 -4.353 656 1HE MET 34 1HE MET 34 2.413 -5.846 -4.806 657 2HE MET 34 2HE MET 34 3.660 -6.608 -3.810 658 3HE MET 34 3HE MET 34 3.928 -6.370 -5.535 659 H GLN 35 H GLN 35 -0.669 -8.598 -0.358 660 HA GLN 35 HA GLN 35 -2.817 -9.537 -1.860 661 1HB GLN 35 1HB GLN 35 -2.179 -10.375 0.338 662 2HB GLN 35 2HB GLN 35 -2.644 -8.851 1.092 663 1HG GLN 35 2HG GLN 35 -4.684 -9.768 1.403 664 2HG GLN 35 1HG GLN 35 -4.916 -9.612 -0.337 665 2HE2 GLN 35 2HE2 GLN 35 -3.513 -11.883 2.085 666 1HE2 GLN 35 1HE2 GLN 35 -3.870 -13.284 1.196 667 H HIS 36 H HIS 36 -3.637 -7.243 0.734 668 HA HIS 36 HA HIS 36 -6.005 -6.291 -0.485 669 1HB HIS 36 1HB HIS 36 -4.191 -5.583 1.725 670 2HB HIS 36 2HB HIS 36 -5.112 -4.217 1.096 671 HD1 HIS 36 HD1 HIS 36 -6.566 -7.665 0.969 672 HD2 HIS 36 HD2 HIS 36 -6.890 -4.250 3.338 673 HE1 HIS 36 HE1 HIS 36 -8.592 -8.010 2.450 674 H ALA 37 H ALA 37 -2.657 -5.172 -0.821 675 HA ALA 37 HA ALA 37 -2.987 -2.665 -2.031 676 1HB ALA 37 1HB ALA 37 -0.822 -3.573 -1.486 677 2HB ALA 37 3HB ALA 37 -1.067 -4.953 -2.556 678 3HB ALA 37 2HB ALA 37 -0.843 -3.340 -3.234 679 H GLN 38 H GLN 38 -3.249 -5.894 -3.519 680 HA GLN 38 HA GLN 38 -3.527 -5.111 -6.236 681 1HB GLN 38 1HB GLN 38 -4.308 -7.412 -4.494 682 2HB GLN 38 2HB GLN 38 -5.020 -7.334 -6.106 683 1HG GLN 38 1HG GLN 38 -2.590 -6.914 -6.922 684 2HG GLN 38 2HG GLN 38 -2.113 -7.544 -5.345 685 2HE2 GLN 38 2HE2 GLN 38 -1.189 -9.246 -7.073 686 1HE2 GLN 38 1HE2 GLN 38 -2.206 -10.569 -7.382 687 H ASN 39 H ASN 39 -5.968 -5.420 -3.653 688 HA ASN 39 HA ASN 39 -8.118 -4.520 -5.479 689 1HB ASN 39 1HB ASN 39 -7.857 -5.582 -2.679 690 2HB ASN 39 2HB ASN 39 -9.347 -4.764 -3.155 691 2HD2 ASN 39 2HD2 ASN 39 -9.227 -7.599 -2.545 692 1HD2 ASN 39 1HD2 ASN 39 -9.590 -8.446 -3.971 693 H LEU 40 H LEU 40 -5.733 -2.812 -4.318 694 HA LEU 40 HA LEU 40 -5.452 -0.588 -3.600 695 1HB LEU 40 1HB LEU 40 -8.114 -0.764 -4.957 696 2HB LEU 40 2HB LEU 40 -7.698 0.743 -4.141 697 HG LEU 40 HG LEU 40 -5.379 0.278 -5.462 698 1HD1 LEU 40 1HD1 LEU 40 -7.612 -0.908 -7.134 699 2HD1 LEU 40 2HD1 LEU 40 -6.048 -0.424 -7.789 700 3HD1 LEU 40 3HD1 LEU 40 -6.142 -1.719 -6.595 701 1HD2 LEU 40 1HD2 LEU 40 -7.898 1.740 -6.203 702 2HD2 LEU 40 2HD2 LEU 40 -6.336 2.394 -5.709 703 3HD2 LEU 40 3HD2 LEU 40 -6.541 1.733 -7.331 704 H GLU 41 H GLU 41 -6.785 -2.694 -1.779 705 HA GLU 41 HA GLU 41 -8.173 -0.823 0.107 706 1HB GLU 41 1HB GLU 41 -8.182 -3.811 -0.343 707 2HB GLU 41 2HB GLU 41 -8.846 -3.097 1.126 708 1HG GLU 41 1HG GLU 41 -9.697 -2.040 -1.557 709 2HG GLU 41 2HG GLU 41 -10.430 -3.516 -0.928 710 H PHE 42 H PHE 42 -5.154 -1.397 -0.369 711 HA PHE 42 HA PHE 42 -4.309 -2.725 2.006 712 1HB PHE 42 1HB PHE 42 -2.070 -2.110 1.181 713 2HB PHE 42 2HB PHE 42 -3.070 -2.796 -0.089 714 HD1 PHE 42 HD1 PHE 42 -4.460 0.410 0.381 715 HD2 PHE 42 HD2 PHE 42 -0.902 -1.502 -1.167 716 HE1 PHE 42 HE1 PHE 42 -4.000 2.398 -1.026 717 HE2 PHE 42 HE2 PHE 42 -0.457 0.498 -2.580 718 HZ PHE 42 HZ PHE 42 -2.002 2.443 -2.509 719 H GLU 43 H GLU 43 -5.928 -0.093 2.322 720 HA GLU 43 HA GLU 43 -4.305 1.987 3.335 721 1HB GLU 43 1HB GLU 43 -6.716 2.187 3.083 722 2HB GLU 43 2HB GLU 43 -6.989 0.850 4.198 723 1HG GLU 43 1HG GLU 43 -5.848 2.222 5.986 724 2HG GLU 43 2HG GLU 43 -5.861 3.582 4.861 725 H GLU 44 H GLU 44 -5.809 -0.699 5.143 726 HA GLU 44 HA GLU 44 -4.023 -0.323 7.443 727 1HB GLU 44 2HB GLU 44 -5.340 -2.221 8.325 728 2HB GLU 44 1HB GLU 44 -6.408 -1.001 7.633 729 1HG GLU 44 1HG GLU 44 -6.783 -2.288 5.669 730 2HG GLU 44 2HG GLU 44 -5.422 -3.356 6.014 731 H ALA 45 H ALA 45 -4.186 -2.267 4.521 732 HA ALA 45 HA ALA 45 -2.416 -4.397 5.356 733 1HB ALA 45 1HB ALA 45 -4.060 -4.087 3.318 734 2HB ALA 45 3HB ALA 45 -2.599 -5.053 3.113 735 3HB ALA 45 2HB ALA 45 -2.646 -3.387 2.526 736 H ALA 46 H ALA 46 -1.802 -1.447 3.393 737 HA ALA 46 HA ALA 46 0.975 -1.820 3.019 738 1HB ALA 46 1HB ALA 46 0.808 0.259 2.086 739 2HB ALA 46 2HB ALA 46 0.035 0.942 3.518 740 3HB ALA 46 3HB ALA 46 -0.921 0.030 2.349 741 H GLN 47 H GLN 47 -0.779 -0.741 5.872 742 HA GLN 47 HA GLN 47 1.311 0.538 7.303 743 1HB GLN 47 1HB GLN 47 -1.020 -1.210 8.136 744 2HB GLN 47 2HB GLN 47 -0.022 -0.333 9.295 745 1HG GLN 47 1HG GLN 47 -0.568 1.665 7.548 746 2HG GLN 47 2HG GLN 47 -2.033 0.699 7.373 747 2HE2 GLN 47 2HE2 GLN 47 0.002 2.323 9.844 748 1HE2 GLN 47 1HE2 GLN 47 -1.254 2.522 10.969 749 H ILE 48 H ILE 48 0.673 -2.875 6.682 750 HA ILE 48 HA ILE 48 2.295 -4.131 8.617 751 HB ILE 48 HB ILE 48 1.797 -4.744 5.684 752 1HG1 ILE 48 1HG1 ILE 48 0.492 -5.871 8.178 753 2HG1 ILE 48 2HG1 ILE 48 -0.189 -4.546 7.233 754 1HG2 ILE 48 1HG2 ILE 48 3.327 -6.163 7.784 755 2HG2 ILE 48 2HG2 ILE 48 2.181 -7.157 6.885 756 3HG2 ILE 48 3HG2 ILE 48 3.448 -6.280 6.029 757 1HD1 ILE 48 1HD1 ILE 48 -0.064 -6.072 5.207 758 2HD1 ILE 48 2HD1 ILE 48 0.321 -7.386 6.319 759 3HD1 ILE 48 3HD1 ILE 48 -1.231 -6.557 6.437 760 H ARG 49 H ARG 49 3.175 -2.284 5.773 761 HA ARG 49 HA ARG 49 5.837 -3.095 5.318 762 1HB ARG 49 1HB ARG 49 4.735 -1.557 3.855 763 2HB ARG 49 2HB ARG 49 4.359 -0.455 5.175 764 1HG ARG 49 1HG ARG 49 7.206 -0.831 5.078 765 2HG ARG 49 2HG ARG 49 6.632 -0.417 3.462 766 1HD ARG 49 1HD ARG 49 7.168 1.616 4.824 767 2HD ARG 49 2HD ARG 49 5.453 1.555 4.374 768 HE ARG 49 HE ARG 49 5.002 0.612 6.652 769 1HH1 ARG 49 1HH1 ARG 49 8.288 0.651 6.557 770 2HH1 ARG 49 2HH1 ARG 49 8.528 1.635 7.961 771 1HH2 ARG 49 1HH2 ARG 49 5.187 2.524 8.235 772 2HH2 ARG 49 2HH2 ARG 49 6.773 2.696 8.911 773 H ASP 50 H ASP 50 4.450 -1.234 7.947 774 HA ASP 50 HA ASP 50 6.979 -0.197 8.966 775 1HB ASP 50 1HB ASP 50 4.647 0.753 9.285 776 2HB ASP 50 2HB ASP 50 4.325 -0.596 10.377 777 H GLN 51 H GLN 51 4.959 -3.045 9.560 778 HA GLN 51 HA GLN 51 6.510 -3.944 11.872 779 1HB GLN 51 2HB GLN 51 4.544 -5.389 10.062 780 2HB GLN 51 1HB GLN 51 5.025 -5.889 11.684 781 1HG GLN 51 1HG GLN 51 3.981 -3.974 12.681 782 2HG GLN 51 2HG GLN 51 3.736 -3.211 11.108 783 2HE2 GLN 51 2HE2 GLN 51 3.161 -6.670 11.766 784 1HE2 GLN 51 1HE2 GLN 51 1.482 -6.605 11.526 785 H LEU 52 H LEU 52 6.509 -4.506 8.391 786 HA LEU 52 HA LEU 52 8.145 -6.855 8.322 787 1HB LEU 52 1HB LEU 52 6.861 -5.075 6.563 788 2HB LEU 52 2HB LEU 52 8.567 -5.002 6.120 789 HG LEU 52 HG LEU 52 7.387 -6.789 4.879 790 1HD1 LEU 52 1HD1 LEU 52 9.388 -7.717 6.962 791 2HD1 LEU 52 2HD1 LEU 52 8.920 -8.663 5.549 792 3HD1 LEU 52 3HD1 LEU 52 9.748 -7.120 5.342 793 1HD2 LEU 52 1HD2 LEU 52 6.135 -7.203 7.370 794 2HD2 LEU 52 2HD2 LEU 52 5.911 -8.155 5.902 795 3HD2 LEU 52 3HD2 LEU 52 7.117 -8.642 7.094 796 H HIS 53 H HIS 53 8.964 -3.383 8.286 797 HA HIS 53 HA HIS 53 11.841 -3.881 8.087 798 1HB HIS 53 1HB HIS 53 10.362 -1.877 7.299 799 2HB HIS 53 2HB HIS 53 10.509 -1.324 8.968 800 HD1 HIS 53 HD1 HIS 53 12.608 -0.088 9.552 801 HD2 HIS 53 HD2 HIS 53 13.031 -2.276 6.030 802 HE1 HIS 53 HE1 HIS 53 14.881 0.508 8.608 803 H GLN 54 H GLN 54 9.501 -3.422 10.664 804 HA GLN 54 HA GLN 54 11.499 -2.835 12.724 805 1HB GLN 54 1HB GLN 54 8.551 -3.285 12.492 806 2HB GLN 54 2HB GLN 54 9.285 -3.456 14.088 807 1HG GLN 54 1HG GLN 54 9.967 -1.056 12.421 808 2HG GLN 54 2HG GLN 54 8.428 -1.094 13.281 809 2HE2 GLN 54 2HE2 GLN 54 8.615 -1.620 15.713 810 1HE2 GLN 54 1HE2 GLN 54 9.980 -1.038 16.536 811 H LEU 55 H LEU 55 9.725 -5.684 11.582 812 HA LEU 55 HA LEU 55 10.403 -7.451 13.732 813 1HB LEU 55 1HB LEU 55 9.243 -7.516 11.043 814 2HB LEU 55 2HB LEU 55 10.119 -8.994 11.444 815 HG LEU 55 HG LEU 55 8.732 -8.464 13.775 816 1HD1 LEU 55 1HD1 LEU 55 7.087 -7.652 11.368 817 2HD1 LEU 55 2HD1 LEU 55 6.353 -8.180 12.882 818 3HD1 LEU 55 3HD1 LEU 55 7.364 -6.735 12.849 819 1HD2 LEU 55 1HD2 LEU 55 8.788 -10.409 11.664 820 2HD2 LEU 55 2HD2 LEU 55 8.297 -10.632 13.342 821 3HD2 LEU 55 3HD2 LEU 55 7.110 -10.139 12.135 822 H ARG 56 H ARG 56 12.217 -6.403 10.904 823 HA ARG 56 HA ARG 56 14.104 -8.534 10.753 824 1HB ARG 56 1HB ARG 56 15.389 -6.936 9.465 825 2HB ARG 56 2HB ARG 56 13.682 -6.646 9.131 826 1HG ARG 56 1HG ARG 56 14.243 -4.479 9.591 827 2HG ARG 56 2HG ARG 56 14.035 -5.002 11.264 828 1HD ARG 56 2HD ARG 56 16.182 -3.924 11.182 829 2HD ARG 56 1HD ARG 56 16.530 -5.665 11.188 830 HE ARG 56 HE ARG 56 16.195 -4.965 8.490 831 1HH1 ARG 56 1HH1 ARG 56 17.681 -2.703 10.300 832 2HH1 ARG 56 2HH1 ARG 56 19.283 -2.936 9.683 833 1HH2 ARG 56 1HH2 ARG 56 18.506 -5.888 8.040 834 2HH2 ARG 56 2HH2 ARG 56 19.750 -4.739 8.404 835 H GLU 57 H GLU 57 13.787 -5.901 13.034 836 HA GLU 57 HA GLU 57 16.514 -5.996 14.045 837 1HB GLU 57 2HB GLU 57 13.942 -4.999 15.314 838 2HB GLU 57 1HB GLU 57 15.581 -4.524 15.763 839 1HG GLU 57 1HG GLU 57 15.895 -3.670 13.412 840 2HG GLU 57 2HG GLU 57 14.180 -3.978 13.133 841 H LEU 58 H LEU 58 13.416 -7.467 14.992 842 HA LEU 58 HA LEU 58 14.171 -8.606 17.473 843 1HB LEU 58 1HB LEU 58 12.213 -9.185 15.282 844 2HB LEU 58 2HB LEU 58 12.412 -10.390 16.555 845 HG LEU 58 HG LEU 58 12.289 -7.923 17.894 846 1HD1 LEU 58 1HD1 LEU 58 10.187 -8.142 15.716 847 2HD1 LEU 58 2HD1 LEU 58 10.117 -7.017 17.073 848 3HD1 LEU 58 3HD1 LEU 58 11.400 -6.870 15.872 849 1HD2 LEU 58 1HD2 LEU 58 11.231 -10.400 18.157 850 2HD2 LEU 58 2HD2 LEU 58 10.640 -9.008 19.064 851 3HD2 LEU 58 3HD2 LEU 58 9.801 -9.527 17.602 852 H PHE 59 H PHE 59 15.159 -9.444 14.247 853 HA PHE 59 HA PHE 59 15.744 -12.167 14.337 854 1HB PHE 59 1HB PHE 59 16.111 -10.724 12.405 855 2HB PHE 59 2HB PHE 59 17.367 -9.835 13.268 856 HD1 PHE 59 HD1 PHE 59 16.504 -13.415 12.445 857 HD2 PHE 59 HD2 PHE 59 19.580 -10.406 12.799 858 HE1 PHE 59 HE1 PHE 59 18.206 -15.064 11.673 859 HE2 PHE 59 HE2 PHE 59 21.282 -12.056 12.027 860 HZ PHE 59 HZ PHE 59 20.596 -14.385 11.464 861 H ILE 60 H ILE 60 17.687 -9.507 15.727 862 HA ILE 60 HA ILE 60 19.782 -11.269 16.715 863 HB ILE 60 HB ILE 60 18.959 -8.420 17.364 864 1HG1 ILE 60 1HG1 ILE 60 21.308 -9.275 15.685 865 2HG1 ILE 60 2HG1 ILE 60 19.701 -9.176 14.966 866 1HG2 ILE 60 1HG2 ILE 60 20.796 -10.120 18.693 867 2HG2 ILE 60 2HG2 ILE 60 21.759 -8.999 17.729 868 3HG2 ILE 60 3HG2 ILE 60 20.599 -8.380 18.905 869 1HD1 ILE 60 1HD1 ILE 60 20.570 -6.860 16.620 870 2HD1 ILE 60 2HD1 ILE 60 21.365 -7.063 15.060 871 3HD1 ILE 60 3HD1 ILE 60 19.611 -6.888 15.141 872 H ALA 61 H ALA 61 16.815 -9.874 18.058 873 HA ALA 61 HA ALA 61 17.363 -10.694 20.799 874 1HB ALA 61 1HB ALA 61 15.384 -9.244 19.244 875 2HB ALA 61 3HB ALA 61 15.755 -9.113 20.964 876 3HB ALA 61 2HB ALA 61 14.601 -10.322 20.400 877 H ALA 62 H ALA 62 16.105 -12.269 17.971 878 HA ALA 62 HA ALA 62 14.899 -14.452 19.614 879 1HB ALA 62 1HB ALA 62 13.878 -13.131 17.544 880 2HB ALA 62 2HB ALA 62 13.572 -14.856 17.745 881 3HB ALA 62 3HB ALA 62 14.814 -14.307 16.620 882 H SER 63 H SER 63 16.970 -14.117 16.697 883 HA SER 63 HA SER 63 17.949 -16.837 16.842 884 1HB SER 63 1HB SER 63 17.790 -15.352 14.815 885 2HB SER 63 2HB SER 63 19.116 -14.395 15.469 886 HG SER 63 HG SER 63 19.107 -16.924 14.332 No H/Q in entry = 886 Start of MODEL 14 1 H LEU 8 H LEU 8 -24.164 9.446 -29.963 2 HA LEU 8 HA LEU 8 -22.441 10.520 -31.182 3 1HB LEU 8 1HB LEU 8 -24.757 12.449 -31.435 4 2HB LEU 8 2HB LEU 8 -23.201 12.758 -32.206 5 HG LEU 8 HG LEU 8 -23.544 10.238 -33.037 6 1HD1 LEU 8 1HD1 LEU 8 -26.269 11.270 -32.299 7 2HD1 LEU 8 2HD1 LEU 8 -26.089 10.214 -33.701 8 3HD1 LEU 8 3HD1 LEU 8 -25.603 9.649 -32.103 9 1HD2 LEU 8 1HD2 LEU 8 -24.169 12.895 -34.099 10 2HD2 LEU 8 2HD2 LEU 8 -23.351 11.541 -34.881 11 3HD2 LEU 8 3HD2 LEU 8 -25.113 11.621 -34.873 12 H GLU 9 H GLU 9 -22.231 10.659 -28.426 13 HA GLU 9 HA GLU 9 -21.343 13.489 -27.949 14 1HB GLU 9 1HB GLU 9 -23.289 11.981 -26.646 15 2HB GLU 9 2HB GLU 9 -21.883 11.836 -25.591 16 1HG GLU 9 1HG GLU 9 -21.721 14.172 -25.285 17 2HG GLU 9 2HG GLU 9 -22.737 14.513 -26.686 18 HA PRO 10 HA PRO 10 -17.844 10.363 -27.524 19 1HB PRO 10 1HB PRO 10 -16.233 11.374 -29.489 20 2HB PRO 10 2HB PRO 10 -17.451 10.117 -29.790 21 1HG PRO 10 2HG PRO 10 -17.569 13.039 -30.330 22 2HG PRO 10 1HG PRO 10 -18.194 11.688 -31.287 23 1HD PRO 10 1HD PRO 10 -19.753 13.264 -29.696 24 2HD PRO 10 2HD PRO 10 -20.141 11.577 -30.098 25 H ASP 11 H ASP 11 -17.671 13.838 -28.322 26 HA ASP 11 HA ASP 11 -16.528 15.604 -27.241 27 1HB ASP 11 1HB ASP 11 -17.264 13.672 -25.266 28 2HB ASP 11 2HB ASP 11 -15.640 14.239 -24.875 29 H ASN 12 H ASN 12 -14.656 12.888 -25.866 30 HA ASN 12 HA ASN 12 -12.334 13.787 -27.530 31 1HB ASN 12 1HB ASN 12 -12.605 13.008 -24.618 32 2HB ASN 12 2HB ASN 12 -11.040 13.007 -25.433 33 2HD2 ASN 12 2HD2 ASN 12 -12.916 14.940 -23.510 34 1HD2 ASN 12 1HD2 ASN 12 -12.392 16.467 -24.036 35 H VAL 13 H VAL 13 -14.126 11.119 -26.065 36 HA VAL 13 HA VAL 13 -13.343 9.219 -28.047 37 HB VAL 13 HB VAL 13 -11.541 9.745 -25.808 38 1HG1 VAL 13 1HG1 VAL 13 -12.298 6.839 -26.309 39 2HG1 VAL 13 2HG1 VAL 13 -10.939 7.387 -25.329 40 3HG1 VAL 13 3HG1 VAL 13 -12.590 7.729 -24.815 41 1HG2 VAL 13 1HG2 VAL 13 -11.388 9.230 -28.518 42 2HG2 VAL 13 2HG2 VAL 13 -10.013 9.290 -27.415 43 3HG2 VAL 13 3HG2 VAL 13 -10.762 7.742 -27.810 44 HA PRO 14 HA PRO 14 -15.851 7.111 -24.662 45 1HB PRO 14 1HB PRO 14 -15.892 8.116 -22.121 46 2HB PRO 14 2HB PRO 14 -14.602 7.057 -22.720 47 1HG PRO 14 1HG PRO 14 -14.521 9.907 -22.110 48 2HG PRO 14 2HG PRO 14 -13.193 8.761 -22.313 49 1HD PRO 14 2HD PRO 14 -14.203 10.694 -24.197 50 2HD PRO 14 1HD PRO 14 -12.802 9.619 -24.354 51 H MET 15 H MET 15 -16.337 10.085 -22.789 52 HA MET 15 HA MET 15 -18.707 10.867 -24.351 53 1HB MET 15 1HB MET 15 -19.008 8.893 -22.512 54 2HB MET 15 2HB MET 15 -19.254 10.306 -21.483 55 1HG MET 15 1HG MET 15 -21.241 10.822 -22.459 56 2HG MET 15 2HG MET 15 -20.651 10.439 -24.076 57 1HE MET 15 1HE MET 15 -23.522 9.878 -22.874 58 2HE MET 15 2HE MET 15 -23.800 8.288 -22.165 59 3HE MET 15 3HE MET 15 -22.892 9.514 -21.270 60 H ASP 16 H ASP 16 -19.775 12.198 -21.846 61 HA ASP 16 HA ASP 16 -17.616 14.074 -21.105 62 1HB ASP 16 1HB ASP 16 -18.706 14.722 -23.347 63 2HB ASP 16 2HB ASP 16 -20.160 15.068 -22.411 64 H MET 17 H MET 17 -18.372 12.778 -19.130 65 HA MET 17 HA MET 17 -20.779 14.066 -17.887 66 1HB MET 17 1HB MET 17 -20.820 11.931 -16.535 67 2HB MET 17 2HB MET 17 -21.069 11.688 -18.264 68 1HG MET 17 1HG MET 17 -18.770 11.004 -18.571 69 2HG MET 17 2HG MET 17 -18.369 11.442 -16.909 70 1HE MET 17 1HE MET 17 -18.974 10.616 -15.041 71 2HE MET 17 2HE MET 17 -19.816 9.124 -14.630 72 3HE MET 17 3HE MET 17 -18.131 9.075 -15.162 73 H SER 18 H SER 18 -17.360 13.480 -17.627 74 HA SER 18 HA SER 18 -17.353 14.452 -14.798 75 1HB SER 18 1HB SER 18 -15.042 13.312 -16.371 76 2HB SER 18 2HB SER 18 -15.263 13.341 -14.623 77 HG SER 18 HG SER 18 -15.866 11.394 -16.208 78 HA PRO 19 HA PRO 19 -15.550 18.271 -16.004 79 1HB PRO 19 1HB PRO 19 -13.759 18.751 -13.998 80 2HB PRO 19 2HB PRO 19 -15.516 18.865 -13.771 81 1HG PRO 19 2HG PRO 19 -13.650 16.673 -13.026 82 2HG PRO 19 1HG PRO 19 -15.057 17.302 -12.155 83 1HD PRO 19 1HD PRO 19 -15.069 14.993 -13.616 84 2HD PRO 19 2HD PRO 19 -16.515 15.980 -13.311 85 H LYS 20 H LYS 20 -13.756 15.467 -16.133 86 HA LYS 20 HA LYS 20 -11.812 14.887 -17.336 87 1HB LYS 20 1HB LYS 20 -12.929 16.704 -18.818 88 2HB LYS 20 2HB LYS 20 -11.681 17.779 -18.189 89 1HG LYS 20 1HG LYS 20 -11.083 15.111 -19.491 90 2HG LYS 20 2HG LYS 20 -11.072 16.644 -20.362 91 1HD LYS 20 1HD LYS 20 -9.524 17.245 -18.180 92 2HD LYS 20 2HD LYS 20 -9.106 15.553 -18.454 93 1HE LYS 20 2HE LYS 20 -7.580 16.775 -19.825 94 2HE LYS 20 1HE LYS 20 -8.845 16.244 -20.953 95 1HZ LYS 20 1HZ LYS 20 -8.805 18.848 -19.521 96 2HZ LYS 20 2HZ LYS 20 -8.415 18.628 -21.160 97 3HZ LYS 20 3HZ LYS 20 -9.996 18.333 -20.613 98 H ALA 21 H ALA 21 -11.171 18.291 -16.375 99 HA ALA 21 HA ALA 21 -8.461 18.011 -15.728 100 1HB ALA 21 1HB ALA 21 -8.984 19.969 -14.172 101 2HB ALA 21 2HB ALA 21 -9.535 20.157 -15.837 102 3HB ALA 21 3HB ALA 21 -10.683 19.715 -14.571 103 H LEU 22 H LEU 22 -11.087 18.039 -13.292 104 HA LEU 22 HA LEU 22 -9.475 17.025 -11.156 105 1HB LEU 22 1HB LEU 22 -11.436 18.106 -10.510 106 2HB LEU 22 2HB LEU 22 -12.381 17.386 -11.805 107 HG LEU 22 HG LEU 22 -12.431 15.245 -10.637 108 1HD1 LEU 22 1HD1 LEU 22 -10.583 16.671 -8.717 109 2HD1 LEU 22 2HD1 LEU 22 -11.470 15.214 -8.263 110 3HD1 LEU 22 3HD1 LEU 22 -10.301 15.159 -9.582 111 1HD2 LEU 22 1HD2 LEU 22 -13.269 17.744 -9.227 112 2HD2 LEU 22 2HD2 LEU 22 -14.259 16.440 -9.881 113 3HD2 LEU 22 3HD2 LEU 22 -13.412 16.220 -8.350 114 H GLN 23 H GLN 23 -11.962 15.316 -13.101 115 HA GLN 23 HA GLN 23 -11.623 12.711 -12.170 116 1HB GLN 23 1HB GLN 23 -13.282 13.534 -13.832 117 2HB GLN 23 2HB GLN 23 -11.998 13.633 -15.037 118 1HG GLN 23 1HG GLN 23 -11.681 11.070 -14.117 119 2HG GLN 23 2HG GLN 23 -13.431 11.269 -14.011 120 2HE2 GLN 23 2HE2 GLN 23 -13.792 9.837 -15.864 121 1HE2 GLN 23 1HE2 GLN 23 -13.425 10.337 -17.444 122 H GLN 24 H GLN 24 -9.673 14.369 -14.668 123 HA GLN 24 HA GLN 24 -7.998 12.138 -15.327 124 1HB GLN 24 1HB GLN 24 -8.312 14.292 -16.592 125 2HB GLN 24 2HB GLN 24 -7.362 15.105 -15.348 126 1HG GLN 24 1HG GLN 24 -6.143 12.663 -16.511 127 2HG GLN 24 2HG GLN 24 -6.268 14.051 -17.594 128 2HE2 GLN 24 2HE2 GLN 24 -4.624 12.788 -14.767 129 1HE2 GLN 24 1HE2 GLN 24 -3.591 14.115 -14.534 130 H LYS 25 H LYS 25 -7.775 14.653 -12.829 131 HA LYS 25 HA LYS 25 -5.118 13.969 -11.921 132 1HB LYS 25 1HB LYS 25 -7.403 15.673 -11.173 133 2HB LYS 25 2HB LYS 25 -6.451 15.120 -9.794 134 1HG LYS 25 2HG LYS 25 -5.038 16.817 -10.287 135 2HG LYS 25 1HG LYS 25 -4.513 15.821 -11.646 136 1HD LYS 25 1HD LYS 25 -5.947 16.932 -13.164 137 2HD LYS 25 2HD LYS 25 -6.913 17.637 -11.867 138 1HE LYS 25 1HE LYS 25 -4.315 18.551 -11.352 139 2HE LYS 25 2HE LYS 25 -4.497 18.683 -13.113 140 1HZ LYS 25 1HZ LYS 25 -6.786 19.609 -12.600 141 2HZ LYS 25 2HZ LYS 25 -6.249 19.803 -11.004 142 3HZ LYS 25 3HZ LYS 25 -5.468 20.627 -12.268 143 H ILE 26 H ILE 26 -8.383 13.169 -10.675 144 HA ILE 26 HA ILE 26 -7.662 11.585 -8.464 145 HB ILE 26 HB ILE 26 -9.909 11.289 -10.485 146 1HG1 ILE 26 1HG1 ILE 26 -10.133 12.512 -7.750 147 2HG1 ILE 26 2HG1 ILE 26 -9.475 13.473 -9.076 148 1HG2 ILE 26 1HG2 ILE 26 -9.340 9.964 -7.856 149 2HG2 ILE 26 2HG2 ILE 26 -11.012 10.330 -8.281 150 3HG2 ILE 26 3HG2 ILE 26 -10.047 9.280 -9.320 151 1HD1 ILE 26 1HD1 ILE 26 -11.984 11.956 -9.614 152 2HD1 ILE 26 2HD1 ILE 26 -12.109 13.370 -8.568 153 3HD1 ILE 26 3HD1 ILE 26 -11.478 13.539 -10.207 154 H HIS 27 H HIS 27 -8.379 10.383 -11.774 155 HA HIS 27 HA HIS 27 -7.635 7.688 -11.377 156 1HB HIS 27 1HB HIS 27 -8.559 9.265 -13.413 157 2HB HIS 27 2HB HIS 27 -6.917 8.933 -13.965 158 HD1 HIS 27 HD1 HIS 27 -9.950 7.018 -12.668 159 HD2 HIS 27 HD2 HIS 27 -6.632 6.435 -15.123 160 HE1 HIS 27 HE1 HIS 27 -10.199 4.705 -13.670 161 H GLU 28 H GLU 28 -5.642 10.536 -11.654 162 HA GLU 28 HA GLU 28 -3.184 9.113 -12.358 163 1HB GLU 28 1HB GLU 28 -4.182 11.761 -12.246 164 2HB GLU 28 2HB GLU 28 -2.815 11.705 -11.133 165 1HG GLU 28 2HG GLU 28 -2.013 12.272 -13.370 166 2HG GLU 28 1HG GLU 28 -1.437 10.663 -12.931 167 H LEU 29 H LEU 29 -4.677 10.382 -9.387 168 HA LEU 29 HA LEU 29 -2.389 9.739 -7.696 169 1HB LEU 29 1HB LEU 29 -5.278 10.531 -7.271 170 2HB LEU 29 2HB LEU 29 -4.187 10.220 -5.919 171 HG LEU 29 HG LEU 29 -3.374 12.108 -8.118 172 1HD1 LEU 29 1HD1 LEU 29 -5.679 12.478 -6.576 173 2HD1 LEU 29 2HD1 LEU 29 -4.441 13.424 -5.749 174 3HD1 LEU 29 3HD1 LEU 29 -4.794 13.730 -7.450 175 1HD2 LEU 29 1HD2 LEU 29 -2.439 11.276 -5.459 176 2HD2 LEU 29 2HD2 LEU 29 -1.544 12.036 -6.776 177 3HD2 LEU 29 3HD2 LEU 29 -2.488 13.028 -5.664 178 H GLU 30 H GLU 30 -5.551 8.233 -8.381 179 HA GLU 30 HA GLU 30 -5.355 6.083 -6.505 180 1HB GLU 30 1HB GLU 30 -7.276 7.027 -8.055 181 2HB GLU 30 2HB GLU 30 -6.672 5.823 -9.194 182 1HG GLU 30 1HG GLU 30 -6.888 4.658 -6.561 183 2HG GLU 30 2HG GLU 30 -8.427 5.385 -7.026 184 H GLY 31 H GLY 31 -4.415 6.300 -9.949 185 1HA GLY 31 2HA GLY 31 -2.994 4.935 -11.228 186 2HA GLY 31 1HA GLY 31 -3.470 3.605 -10.170 187 H LEU 32 H LEU 32 -1.948 6.603 -9.083 188 HA LEU 32 HA LEU 32 0.760 5.649 -8.993 189 1HB LEU 32 1HB LEU 32 -0.530 8.011 -8.653 190 2HB LEU 32 2HB LEU 32 -0.219 7.594 -6.968 191 HG LEU 32 HG LEU 32 2.195 7.161 -7.639 192 1HD1 LEU 32 1HD1 LEU 32 1.009 7.910 -10.224 193 2HD1 LEU 32 2HD1 LEU 32 2.482 8.802 -9.840 194 3HD1 LEU 32 3HD1 LEU 32 2.506 7.039 -9.883 195 1HD2 LEU 32 1HD2 LEU 32 1.012 9.936 -7.966 196 2HD2 LEU 32 2HD2 LEU 32 1.595 9.207 -6.471 197 3HD2 LEU 32 3HD2 LEU 32 2.733 9.616 -7.754 198 H MET 33 H MET 33 -1.952 5.450 -6.726 199 HA MET 33 HA MET 33 -0.562 4.591 -4.397 200 1HB MET 33 1HB MET 33 -3.243 4.810 -5.426 201 2HB MET 33 2HB MET 33 -3.067 3.261 -4.601 202 1HG MET 33 1HG MET 33 -2.442 4.290 -2.558 203 2HG MET 33 2HG MET 33 -2.092 5.828 -3.348 204 1HE MET 33 1HE MET 33 -4.595 3.148 -3.448 205 2HE MET 33 2HE MET 33 -5.265 3.576 -1.878 206 3HE MET 33 3HE MET 33 -6.190 3.891 -3.354 207 H MET 34 H MET 34 -2.349 2.512 -6.711 208 HA MET 34 HA MET 34 -1.562 -0.005 -5.824 209 1HB MET 34 1HB MET 34 -2.297 1.256 -8.420 210 2HB MET 34 2HB MET 34 -1.604 -0.363 -8.501 211 1HG MET 34 1HG MET 34 -3.285 -1.111 -6.800 212 2HG MET 34 2HG MET 34 -4.028 0.487 -6.891 213 1HE MET 34 1HE MET 34 -5.754 -1.792 -7.207 214 2HE MET 34 2HE MET 34 -6.058 -2.495 -8.793 215 3HE MET 34 3HE MET 34 -4.605 -2.942 -7.903 216 H GLN 35 H GLN 35 0.269 2.147 -8.014 217 HA GLN 35 HA GLN 35 2.392 0.473 -8.748 218 1HB GLN 35 1HB GLN 35 2.062 2.732 -9.591 219 2HB GLN 35 2HB GLN 35 2.328 3.410 -7.985 220 1HG GLN 35 1HG GLN 35 4.508 3.589 -8.530 221 2HG GLN 35 2HG GLN 35 4.591 1.829 -8.465 222 2HE2 GLN 35 2HE2 GLN 35 4.881 4.536 -10.557 223 1HE2 GLN 35 1HE2 GLN 35 4.910 3.686 -12.026 224 H HIS 36 H HIS 36 2.881 2.903 -6.192 225 HA HIS 36 HA HIS 36 5.101 1.725 -4.956 226 1HB HIS 36 1HB HIS 36 2.803 3.384 -3.895 227 2HB HIS 36 2HB HIS 36 4.261 3.061 -2.959 228 HD1 HIS 36 HD1 HIS 36 2.977 5.044 -5.845 229 HD2 HIS 36 HD2 HIS 36 6.643 4.298 -4.008 230 HE1 HIS 36 HE1 HIS 36 4.601 6.754 -6.767 231 H ALA 37 H ALA 37 1.668 1.344 -3.951 232 HA ALA 37 HA ALA 37 1.951 -0.418 -1.805 233 1HB ALA 37 1HB ALA 37 -0.235 -1.325 -3.356 234 2HB ALA 37 2HB ALA 37 -0.053 0.386 -3.735 235 3HB ALA 37 3HB ALA 37 -0.278 -0.127 -2.062 236 H GLN 38 H GLN 38 2.240 -1.119 -5.262 237 HA GLN 38 HA GLN 38 2.325 -4.016 -4.950 238 1HB GLN 38 1HB GLN 38 2.441 -1.968 -7.028 239 2HB GLN 38 2HB GLN 38 3.588 -3.271 -7.339 240 1HG GLN 38 1HG GLN 38 1.907 -4.905 -7.425 241 2HG GLN 38 2HG GLN 38 0.760 -3.907 -6.530 242 2HE2 GLN 38 2HE2 GLN 38 -0.441 -2.283 -7.712 243 1HE2 GLN 38 1HE2 GLN 38 -0.419 -2.204 -9.407 244 H ASN 39 H ASN 39 4.701 -1.390 -5.138 245 HA ASN 39 HA ASN 39 6.957 -3.313 -4.923 246 1HB ASN 39 2HB ASN 39 6.825 -0.288 -5.171 247 2HB ASN 39 1HB ASN 39 8.289 -1.264 -5.310 248 2HD2 ASN 39 2HD2 ASN 39 8.845 -1.539 -7.469 249 1HD2 ASN 39 1HD2 ASN 39 7.743 -1.751 -8.744 250 H LEU 40 H LEU 40 4.924 -2.657 -2.719 251 HA LEU 40 HA LEU 40 4.961 -2.322 -0.389 252 1HB LEU 40 1HB LEU 40 7.900 -2.894 -0.896 253 2HB LEU 40 2HB LEU 40 7.080 -3.039 0.658 254 HG LEU 40 HG LEU 40 5.442 -4.599 -0.721 255 1HD1 LEU 40 1HD1 LEU 40 7.930 -4.388 -2.385 256 2HD1 LEU 40 2HD1 LEU 40 7.088 -5.935 -2.297 257 3HD1 LEU 40 3HD1 LEU 40 6.248 -4.508 -2.904 258 1HD2 LEU 40 1HD2 LEU 40 7.763 -4.994 0.915 259 2HD2 LEU 40 2HD2 LEU 40 6.360 -6.048 0.739 260 3HD2 LEU 40 3HD2 LEU 40 7.746 -6.239 -0.334 261 H GLU 41 H GLU 41 5.432 0.020 -2.202 262 HA GLU 41 HA GLU 41 7.125 1.726 -0.412 263 1HB GLU 41 1HB GLU 41 6.204 1.968 -3.293 264 2HB GLU 41 2HB GLU 41 7.108 3.226 -2.449 265 1HG GLU 41 1HG GLU 41 8.238 0.482 -2.310 266 2HG GLU 41 2HG GLU 41 8.310 1.278 -3.883 267 H PHE 42 H PHE 42 4.099 0.863 -0.321 268 HA PHE 42 HA PHE 42 2.456 3.119 -0.781 269 1HB PHE 42 1HB PHE 42 0.951 1.914 0.847 270 2HB PHE 42 2HB PHE 42 1.551 0.919 -0.474 271 HD1 PHE 42 HD1 PHE 42 2.560 1.950 3.017 272 HD2 PHE 42 HD2 PHE 42 2.435 -1.187 0.049 273 HE1 PHE 42 HE1 PHE 42 3.526 0.351 4.660 274 HE2 PHE 42 HE2 PHE 42 3.384 -2.780 1.696 275 HZ PHE 42 HZ PHE 42 3.930 -2.013 4.003 276 H GLU 43 H GLU 43 4.931 2.832 1.576 277 HA GLU 43 HA GLU 43 3.893 4.040 3.886 278 1HB GLU 43 1HB GLU 43 6.199 3.235 3.620 279 2HB GLU 43 2HB GLU 43 6.523 4.498 2.433 280 1HG GLU 43 1HG GLU 43 5.755 6.118 4.354 281 2HG GLU 43 2HG GLU 43 6.135 4.750 5.402 282 H GLU 44 H GLU 44 5.609 5.876 1.352 283 HA GLU 44 HA GLU 44 4.216 8.358 2.093 284 1HB GLU 44 1HB GLU 44 5.671 9.269 0.283 285 2HB GLU 44 2HB GLU 44 6.590 8.311 1.445 286 1HG GLU 44 1HG GLU 44 6.974 6.607 -0.052 287 2HG GLU 44 2HG GLU 44 5.451 6.868 -0.902 288 H ALA 45 H ALA 45 3.794 5.761 -0.171 289 HA ALA 45 HA ALA 45 2.265 7.221 -2.171 290 1HB ALA 45 1HB ALA 45 1.684 4.461 -2.245 291 2HB ALA 45 3HB ALA 45 3.338 4.575 -1.643 292 3HB ALA 45 2HB ALA 45 2.908 5.307 -3.191 293 H ALA 46 H ALA 46 1.343 4.888 0.392 294 HA ALA 46 HA ALA 46 -1.417 4.832 -0.003 295 1HB ALA 46 1HB ALA 46 0.293 4.778 2.491 296 2HB ALA 46 3HB ALA 46 -0.368 3.405 1.599 297 3HB ALA 46 2HB ALA 46 -1.440 4.454 2.527 298 H GLN 47 H GLN 47 0.530 7.451 1.292 299 HA GLN 47 HA GLN 47 -1.344 8.972 2.728 300 1HB GLN 47 1HB GLN 47 1.027 9.494 0.989 301 2HB GLN 47 2HB GLN 47 0.035 10.884 1.432 302 1HG GLN 47 1HG GLN 47 0.207 9.740 3.849 303 2HG GLN 47 2HG GLN 47 1.708 9.120 3.161 304 2HE2 GLN 47 2HE2 GLN 47 3.458 10.486 3.501 305 1HE2 GLN 47 1HE2 GLN 47 3.366 12.173 3.660 306 H ILE 48 H ILE 48 -1.174 8.322 -0.704 307 HA ILE 48 HA ILE 48 -2.825 10.464 -1.666 308 HB ILE 48 HB ILE 48 -2.306 7.633 -2.636 309 1HG1 ILE 48 1HG1 ILE 48 -1.144 10.152 -3.794 310 2HG1 ILE 48 2HG1 ILE 48 -0.430 9.458 -2.337 311 1HG2 ILE 48 1HG2 ILE 48 -4.361 8.605 -3.634 312 2HG2 ILE 48 2HG2 ILE 48 -3.432 10.017 -4.138 313 3HG2 ILE 48 3HG2 ILE 48 -3.074 8.433 -4.827 314 1HD1 ILE 48 1HD1 ILE 48 -0.624 7.217 -3.812 315 2HD1 ILE 48 2HD1 ILE 48 -0.473 8.393 -5.117 316 3HD1 ILE 48 3HD1 ILE 48 0.785 8.275 -3.887 317 H ARG 49 H ARG 49 -3.533 7.364 -0.142 318 HA ARG 49 HA ARG 49 -6.201 6.901 -0.843 319 1HB ARG 49 2HB ARG 49 -6.339 5.752 1.294 320 2HB ARG 49 1HB ARG 49 -4.701 5.560 0.676 321 1HG ARG 49 2HG ARG 49 -4.162 6.231 2.803 322 2HG ARG 49 1HG ARG 49 -4.356 7.831 2.085 323 1HD ARG 49 1HD ARG 49 -6.907 7.454 2.756 324 2HD ARG 49 2HD ARG 49 -6.181 6.364 3.954 325 HE ARG 49 HE ARG 49 -4.723 8.850 3.844 326 1HH1 ARG 49 1HH1 ARG 49 -7.908 9.100 4.098 327 2HH1 ARG 49 2HH1 ARG 49 -8.001 9.434 5.795 328 1HH2 ARG 49 1HH2 ARG 49 -4.708 8.543 6.420 329 2HH2 ARG 49 2HH2 ARG 49 -6.189 9.119 7.109 330 H ASP 50 H ASP 50 -4.907 9.458 1.188 331 HA ASP 50 HA ASP 50 -7.488 10.268 2.294 332 1HB ASP 50 1HB ASP 50 -4.807 10.662 2.848 333 2HB ASP 50 2HB ASP 50 -5.292 12.226 2.190 334 H GLN 51 H GLN 51 -5.301 11.488 -0.262 335 HA GLN 51 HA GLN 51 -6.990 13.692 -1.049 336 1HB GLN 51 1HB GLN 51 -4.896 12.102 -2.571 337 2HB GLN 51 2HB GLN 51 -5.472 13.714 -2.999 338 1HG GLN 51 1HG GLN 51 -4.445 14.715 -1.145 339 2HG GLN 51 2HG GLN 51 -4.346 13.193 -0.258 340 2HE2 GLN 51 2HE2 GLN 51 -3.407 13.584 -3.676 341 1HE2 GLN 51 1HE2 GLN 51 -1.754 13.286 -3.428 342 H LEU 52 H LEU 52 -6.703 10.313 -2.112 343 HA LEU 52 HA LEU 52 -8.397 10.456 -4.409 344 1HB LEU 52 1HB LEU 52 -7.047 8.515 -2.757 345 2HB LEU 52 2HB LEU 52 -8.673 7.938 -3.121 346 HG LEU 52 HG LEU 52 -7.053 7.231 -4.855 347 1HD1 LEU 52 1HD1 LEU 52 -9.344 9.052 -5.423 348 2HD1 LEU 52 2HD1 LEU 52 -8.295 8.636 -6.778 349 3HD1 LEU 52 3HD1 LEU 52 -9.111 7.362 -5.873 350 1HD2 LEU 52 1HD2 LEU 52 -5.827 9.600 -4.449 351 2HD2 LEU 52 2HD2 LEU 52 -5.653 8.691 -5.951 352 3HD2 LEU 52 3HD2 LEU 52 -6.801 10.025 -5.858 353 H HIS 53 H HIS 53 -9.126 9.792 -0.977 354 HA HIS 53 HA HIS 53 -11.945 9.303 -1.374 355 1HB HIS 53 1HB HIS 53 -10.269 10.152 1.009 356 2HB HIS 53 2HB HIS 53 -11.952 9.638 1.123 357 HD1 HIS 53 HD1 HIS 53 -9.911 7.932 2.573 358 HD2 HIS 53 HD2 HIS 53 -10.968 7.258 -1.403 359 HE1 HIS 53 HE1 HIS 53 -9.337 5.515 2.080 360 H GLN 54 H GLN 54 -10.127 12.173 -0.230 361 HA GLN 54 HA GLN 54 -12.378 13.896 0.107 362 1HB GLN 54 1HB GLN 54 -9.584 13.950 0.362 363 2HB GLN 54 2HB GLN 54 -9.949 15.219 -0.809 364 1HG GLN 54 1HG GLN 54 -11.567 16.218 0.731 365 2HG GLN 54 2HG GLN 54 -11.293 14.920 1.893 366 2HE2 GLN 54 2HE2 GLN 54 -10.410 18.071 1.263 367 1HE2 GLN 54 1HE2 GLN 54 -8.899 18.095 2.036 368 H LEU 55 H LEU 55 -10.216 13.401 -2.702 369 HA LEU 55 HA LEU 55 -11.416 15.347 -4.418 370 1HB LEU 55 1HB LEU 55 -9.726 12.886 -4.675 371 2HB LEU 55 2HB LEU 55 -10.419 13.575 -6.144 372 HG LEU 55 HG LEU 55 -9.250 15.595 -4.364 373 1HD1 LEU 55 1HD1 LEU 55 -7.772 13.152 -4.871 374 2HD1 LEU 55 2HD1 LEU 55 -6.976 14.529 -5.635 375 3HD1 LEU 55 3HD1 LEU 55 -7.307 14.551 -3.903 376 1HD2 LEU 55 1HD2 LEU 55 -9.056 14.813 -7.280 377 2HD2 LEU 55 2HD2 LEU 55 -9.867 16.216 -6.584 378 3HD2 LEU 55 3HD2 LEU 55 -8.105 16.132 -6.599 379 H ARG 56 H ARG 56 -12.333 12.050 -3.586 380 HA ARG 56 HA ARG 56 -14.064 11.408 -5.730 381 1HB ARG 56 1HB ARG 56 -13.322 9.921 -3.874 382 2HB ARG 56 2HB ARG 56 -14.359 10.821 -2.765 383 1HG ARG 56 1HG ARG 56 -16.212 10.267 -4.585 384 2HG ARG 56 2HG ARG 56 -15.119 8.935 -4.961 385 1HD ARG 56 1HD ARG 56 -15.319 7.999 -2.794 386 2HD ARG 56 2HD ARG 56 -15.970 9.505 -2.114 387 HE ARG 56 HE ARG 56 -17.461 7.631 -3.880 388 1HH1 ARG 56 1HH1 ARG 56 -18.284 10.374 -4.556 389 2HH1 ARG 56 2HH1 ARG 56 -19.539 10.702 -3.409 390 1HH2 ARG 56 1HH2 ARG 56 -18.646 8.106 -1.290 391 2HH2 ARG 56 2HH2 ARG 56 -19.744 9.419 -1.559 392 H GLU 57 H GLU 57 -15.059 12.763 -2.557 393 HA GLU 57 HA GLU 57 -17.730 13.393 -3.305 394 1HB GLU 57 1HB GLU 57 -17.571 14.900 -1.307 395 2HB GLU 57 2HB GLU 57 -16.916 13.291 -1.002 396 1HG GLU 57 1HG GLU 57 -14.692 14.039 -1.083 397 2HG GLU 57 2HG GLU 57 -15.118 15.503 -1.971 398 H LEU 58 H LEU 58 -14.718 15.018 -3.992 399 HA LEU 58 HA LEU 58 -15.817 17.641 -4.555 400 1HB LEU 58 1HB LEU 58 -13.287 16.180 -4.665 401 2HB LEU 58 2HB LEU 58 -13.463 17.301 -6.016 402 HG LEU 58 HG LEU 58 -13.964 18.085 -3.134 403 1HD1 LEU 58 1HD1 LEU 58 -11.538 17.338 -3.902 404 2HD1 LEU 58 2HD1 LEU 58 -11.529 18.929 -4.663 405 3HD1 LEU 58 3HD1 LEU 58 -11.761 18.787 -2.920 406 1HD2 LEU 58 1HD2 LEU 58 -13.823 19.507 -5.785 407 2HD2 LEU 58 2HD2 LEU 58 -15.039 19.650 -4.515 408 3HD2 LEU 58 3HD2 LEU 58 -13.446 20.375 -4.297 409 H PHE 59 H PHE 59 -15.695 14.640 -6.310 410 HA PHE 59 HA PHE 59 -15.668 15.438 -9.001 411 1HB PHE 59 1HB PHE 59 -15.739 13.118 -7.997 412 2HB PHE 59 2HB PHE 59 -17.468 13.351 -7.738 413 HD1 PHE 59 HD1 PHE 59 -19.028 13.570 -9.653 414 HD2 PHE 59 HD2 PHE 59 -14.822 12.786 -10.229 415 HE1 PHE 59 HE1 PHE 59 -19.475 12.907 -12.015 416 HE2 PHE 59 HE2 PHE 59 -15.268 12.122 -12.589 417 HZ PHE 59 HZ PHE 59 -17.595 12.183 -13.482 418 H ILE 60 H ILE 60 -18.476 15.288 -6.788 419 HA ILE 60 HA ILE 60 -20.359 16.287 -8.759 420 HB ILE 60 HB ILE 60 -20.426 16.158 -5.726 421 1HG1 ILE 60 1HG1 ILE 60 -21.713 14.228 -7.657 422 2HG1 ILE 60 2HG1 ILE 60 -20.038 14.012 -7.146 423 1HG2 ILE 60 1HG2 ILE 60 -22.135 17.670 -6.692 424 2HG2 ILE 60 2HG2 ILE 60 -22.675 16.369 -7.752 425 3HG2 ILE 60 3HG2 ILE 60 -22.869 16.221 -6.005 426 1HD1 ILE 60 1HD1 ILE 60 -21.311 14.498 -4.753 427 2HD1 ILE 60 2HD1 ILE 60 -22.524 13.572 -5.638 428 3HD1 ILE 60 3HD1 ILE 60 -20.916 12.897 -5.378 429 H ALA 61 H ALA 61 -18.412 17.761 -6.180 430 HA ALA 61 HA ALA 61 -19.624 20.389 -6.381 431 1HB ALA 61 1HB ALA 61 -17.056 19.264 -5.237 432 2HB ALA 61 3HB ALA 61 -18.517 19.724 -4.363 433 3HB ALA 61 2HB ALA 61 -17.491 20.965 -5.082 434 H ALA 62 H ALA 62 -17.199 18.687 -8.204 435 HA ALA 62 HA ALA 62 -16.010 21.147 -9.329 436 1HB ALA 62 1HB ALA 62 -15.098 18.640 -8.798 437 2HB ALA 62 3HB ALA 62 -14.353 19.704 -9.990 438 3HB ALA 62 2HB ALA 62 -15.500 18.469 -10.507 439 H SER 63 H SER 63 -17.527 18.243 -10.799 440 HA SER 63 HA SER 63 -18.023 19.412 -13.345 441 1HB SER 63 1HB SER 63 -18.175 16.961 -12.302 442 2HB SER 63 2HB SER 63 -19.878 17.383 -12.157 443 HG SER 63 HG SER 63 -19.772 16.624 -14.169 444 H LEU 8 H LEU 8 23.447 -31.973 0.073 445 HA LEU 8 HA LEU 8 21.704 -33.409 0.788 446 1HB LEU 8 1HB LEU 8 24.035 -34.255 2.521 447 2HB LEU 8 2HB LEU 8 22.461 -35.046 2.627 448 HG LEU 8 HG LEU 8 22.754 -35.131 -0.031 449 1HD1 LEU 8 1HD1 LEU 8 25.509 -34.781 1.118 450 2HD1 LEU 8 2HD1 LEU 8 25.280 -35.818 -0.290 451 3HD1 LEU 8 3HD1 LEU 8 24.830 -34.114 -0.367 452 1HD2 LEU 8 1HD2 LEU 8 23.380 -36.920 2.201 453 2HD2 LEU 8 2HD2 LEU 8 22.526 -37.264 0.696 454 3HD2 LEU 8 3HD2 LEU 8 24.288 -37.320 0.742 455 H GLU 9 H GLU 9 21.571 -30.804 1.712 456 HA GLU 9 HA GLU 9 20.729 -31.134 4.576 457 1HB GLU 9 1HB GLU 9 22.691 -29.499 3.466 458 2HB GLU 9 2HB GLU 9 21.312 -28.415 3.653 459 1HG GLU 9 1HG GLU 9 21.185 -28.784 5.982 460 2HG GLU 9 2HG GLU 9 22.167 -30.247 5.891 461 HA PRO 10 HA PRO 10 17.206 -29.755 1.766 462 1HB PRO 10 1HB PRO 10 15.556 -31.890 2.204 463 2HB PRO 10 2HB PRO 10 16.750 -31.847 0.892 464 1HG PRO 10 2HG PRO 10 16.886 -33.201 3.537 465 2HG PRO 10 1HG PRO 10 17.470 -33.746 1.957 466 1HD PRO 10 1HD PRO 10 19.091 -32.707 3.891 467 2HD PRO 10 2HD PRO 10 19.447 -32.620 2.152 468 H ASP 11 H ASP 11 17.051 -31.507 4.873 469 HA ASP 11 HA ASP 11 15.959 -30.950 6.894 470 1HB ASP 11 1HB ASP 11 16.725 -28.523 5.592 471 2HB ASP 11 2HB ASP 11 15.120 -28.273 6.276 472 H ASN 12 H ASN 12 14.094 -28.815 4.717 473 HA ASN 12 HA ASN 12 11.738 -30.612 5.148 474 1HB ASN 12 1HB ASN 12 12.078 -27.608 5.225 475 2HB ASN 12 2HB ASN 12 10.492 -28.352 5.022 476 2HD2 ASN 12 2HD2 ASN 12 12.441 -27.104 7.387 477 1HD2 ASN 12 1HD2 ASN 12 11.920 -28.031 8.710 478 H VAL 13 H VAL 13 13.538 -28.489 2.976 479 HA VAL 13 HA VAL 13 12.680 -29.827 0.604 480 HB VAL 13 HB VAL 13 10.945 -27.791 1.779 481 1HG1 VAL 13 1HG1 VAL 13 11.656 -27.460 -1.161 482 2HG1 VAL 13 2HG1 VAL 13 10.329 -26.646 -0.332 483 3HG1 VAL 13 3HG1 VAL 13 11.998 -26.289 0.110 484 1HG2 VAL 13 1HG2 VAL 13 10.713 -30.237 0.518 485 2HG2 VAL 13 2HG2 VAL 13 9.370 -29.167 0.915 486 3HG2 VAL 13 3HG2 VAL 13 10.089 -29.120 -0.695 487 HA PRO 14 HA PRO 14 15.256 -26.041 -0.498 488 1HB PRO 14 1HB PRO 14 15.376 -23.893 1.188 489 2HB PRO 14 2HB PRO 14 14.059 -24.135 0.026 490 1HG PRO 14 2HG PRO 14 14.026 -24.361 2.934 491 2HG PRO 14 1HG PRO 14 12.680 -24.201 1.802 492 1HD PRO 14 2HD PRO 14 13.661 -26.580 3.099 493 2HD PRO 14 1HD PRO 14 12.244 -26.390 2.050 494 H MET 15 H MET 15 15.825 -25.104 2.877 495 HA MET 15 HA MET 15 18.161 -26.878 3.138 496 1HB MET 15 1HB MET 15 18.489 -24.559 1.764 497 2HB MET 15 2HB MET 15 18.778 -23.983 3.407 498 1HG MET 15 1HG MET 15 20.743 -25.109 3.586 499 2HG MET 15 2HG MET 15 20.106 -26.537 2.769 500 1HE MET 15 1HE MET 15 23.002 -25.289 2.521 501 2HE MET 15 2HE MET 15 23.281 -24.163 1.194 502 3HE MET 15 3HE MET 15 22.411 -23.634 2.641 503 H ASP 16 H ASP 16 19.311 -24.882 5.107 504 HA ASP 16 HA ASP 16 17.195 -24.659 7.156 505 1HB ASP 16 1HB ASP 16 18.231 -27.016 7.118 506 2HB ASP 16 2HB ASP 16 19.714 -26.251 7.690 507 H MET 17 H MET 17 17.988 -22.413 6.463 508 HA MET 17 HA MET 17 20.443 -21.645 8.007 509 1HB MET 17 1HB MET 17 20.496 -19.740 6.345 510 2HB MET 17 2HB MET 17 20.696 -21.333 5.614 511 1HG MET 17 1HG MET 17 18.382 -21.380 4.915 512 2HG MET 17 2HG MET 17 18.031 -19.904 5.816 513 1HE MET 17 1HE MET 17 18.677 -17.891 5.545 514 2HE MET 17 2HE MET 17 19.513 -17.092 4.217 515 3HE MET 17 3HE MET 17 17.813 -17.549 4.049 516 H SER 18 H SER 18 17.026 -21.151 7.583 517 HA SER 18 HA SER 18 17.106 -18.718 9.320 518 1HB SER 18 1HB SER 18 14.739 -19.849 7.823 519 2HB SER 18 2HB SER 18 15.006 -18.187 8.345 520 HG SER 18 HG SER 18 15.545 -19.162 6.016 521 HA PRO 19 HA PRO 19 15.315 -20.922 12.671 522 1HB PRO 19 1HB PRO 19 13.584 -19.097 13.737 523 2HB PRO 19 2HB PRO 19 15.348 -18.951 13.876 524 1HG PRO 19 2HG PRO 19 13.478 -17.569 12.024 525 2HG PRO 19 1HG PRO 19 14.914 -16.946 12.848 526 1HD PRO 19 1HD PRO 19 14.861 -17.688 10.218 527 2HD PRO 19 2HD PRO 19 16.326 -17.709 11.224 528 H LYS 20 H LYS 20 13.488 -20.203 9.980 529 HA LYS 20 HA LYS 20 11.506 -21.147 9.118 530 1HB LYS 20 1HB LYS 20 12.602 -23.112 10.414 531 2HB LYS 20 2HB LYS 20 11.383 -22.787 11.648 532 1HG LYS 20 1HG LYS 20 10.721 -23.259 8.730 533 2HG LYS 20 2HG LYS 20 10.702 -24.532 9.952 534 1HD LYS 20 1HD LYS 20 9.221 -22.577 11.179 535 2HD LYS 20 2HD LYS 20 8.776 -22.347 9.488 536 1HE LYS 20 2HE LYS 20 7.228 -23.975 10.296 537 2HE LYS 20 1HE LYS 20 8.455 -24.932 9.441 538 1HZ LYS 20 1HZ LYS 20 8.484 -24.302 12.347 539 2HZ LYS 20 2HZ LYS 20 8.047 -25.802 11.676 540 3HZ LYS 20 3HZ LYS 20 9.639 -25.228 11.519 541 H ALA 21 H ALA 21 10.928 -21.185 12.665 542 HA ALA 21 HA ALA 21 8.233 -20.422 12.631 543 1HB ALA 21 1HB ALA 21 10.505 -19.852 14.553 544 2HB ALA 21 3HB ALA 21 8.820 -19.502 14.941 545 3HB ALA 21 2HB ALA 21 9.329 -21.164 14.637 546 H LEU 22 H LEU 22 10.924 -18.157 13.304 547 HA LEU 22 HA LEU 22 9.359 -15.783 12.972 548 1HB LEU 22 1HB LEU 22 11.349 -15.517 14.155 549 2HB LEU 22 2HB LEU 22 12.250 -16.574 13.078 550 HG LEU 22 HG LEU 22 12.308 -14.845 11.358 551 1HD1 LEU 22 1HD1 LEU 22 10.528 -13.371 13.305 552 2HD1 LEU 22 2HD1 LEU 22 11.411 -12.540 12.024 553 3HD1 LEU 22 3HD1 LEU 22 10.206 -13.762 11.616 554 1HD2 LEU 22 1HD2 LEU 22 13.211 -14.225 14.139 555 2HD2 LEU 22 2HD2 LEU 22 14.169 -14.504 12.684 556 3HD2 LEU 22 3HD2 LEU 22 13.360 -12.954 12.925 557 H GLN 23 H GLN 23 11.773 -17.215 10.733 558 HA GLN 23 HA GLN 23 11.430 -15.571 8.508 559 1HB GLN 23 1HB GLN 23 13.054 -17.437 8.792 560 2HB GLN 23 2HB GLN 23 11.738 -18.591 8.567 561 1HG GLN 23 1HG GLN 23 11.417 -16.971 6.380 562 2HG GLN 23 2HG GLN 23 13.171 -16.966 6.567 563 2HE2 GLN 23 2HE2 GLN 23 13.465 -18.341 4.661 564 1HE2 GLN 23 1HE2 GLN 23 13.061 -19.989 4.696 565 H GLN 24 H GLN 24 9.432 -18.393 9.419 566 HA GLN 24 HA GLN 24 7.714 -18.352 7.125 567 1HB GLN 24 1HB GLN 24 8.019 -20.184 8.825 568 2HB GLN 24 2HB GLN 24 7.111 -19.202 9.975 569 1HG GLN 24 1HG GLN 24 5.835 -19.593 7.326 570 2HG GLN 24 2HG GLN 24 5.946 -21.029 8.345 571 2HE2 GLN 24 2HE2 GLN 24 4.365 -17.923 7.971 572 1HE2 GLN 24 1HE2 GLN 24 3.353 -18.057 9.328 573 H LYS 25 H LYS 25 7.587 -16.672 10.253 574 HA LYS 25 HA LYS 25 4.949 -15.544 9.905 575 1HB LYS 25 1HB LYS 25 7.272 -15.366 11.708 576 2HB LYS 25 2HB LYS 25 6.351 -13.865 11.590 577 1HG LYS 25 1HG LYS 25 4.944 -14.791 13.102 578 2HG LYS 25 2HG LYS 25 4.372 -15.796 11.770 579 1HD LYS 25 1HD LYS 25 5.777 -17.602 12.375 580 2HD LYS 25 2HD LYS 25 6.785 -16.581 13.403 581 1HE LYS 25 1HE LYS 25 4.213 -16.289 14.474 582 2HE LYS 25 2HE LYS 25 4.349 -18.018 14.095 583 1HZ LYS 25 1HZ LYS 25 6.662 -17.843 15.085 584 2HZ LYS 25 2HZ LYS 25 6.170 -16.356 15.735 585 3HZ LYS 25 3HZ LYS 25 5.365 -17.785 16.180 586 H ILE 26 H ILE 26 8.238 -14.197 9.432 587 HA ILE 26 HA ILE 26 7.558 -11.610 8.558 588 HB ILE 26 HB ILE 26 9.747 -13.513 7.657 589 1HG1 ILE 26 1HG1 ILE 26 10.058 -11.246 9.606 590 2HG1 ILE 26 2HG1 ILE 26 9.376 -12.776 10.159 591 1HG2 ILE 26 1HG2 ILE 26 9.234 -10.601 7.146 592 2HG2 ILE 26 2HG2 ILE 26 10.898 -11.151 7.345 593 3HG2 ILE 26 3HG2 ILE 26 9.894 -11.826 6.062 594 1HD1 ILE 26 1HD1 ILE 26 11.852 -12.917 8.507 595 2HD1 ILE 26 2HD1 ILE 26 12.020 -12.320 10.157 596 3HD1 ILE 26 3HD1 ILE 26 11.347 -13.924 9.863 597 H HIS 27 H HIS 27 8.171 -14.454 6.450 598 HA HIS 27 HA HIS 27 7.409 -13.288 3.993 599 1HB HIS 27 1HB HIS 27 8.295 -15.710 4.908 600 2HB HIS 27 2HB HIS 27 6.635 -16.107 4.463 601 HD1 HIS 27 HD1 HIS 27 9.681 -14.386 2.941 602 HD2 HIS 27 HD2 HIS 27 6.290 -16.497 1.743 603 HE1 HIS 27 HE1 HIS 27 9.876 -14.693 0.435 604 H GLU 28 H GLU 28 5.441 -14.319 6.681 605 HA GLU 28 HA GLU 28 2.948 -14.532 5.162 606 1HB GLU 28 1HB GLU 28 3.979 -15.205 7.714 607 2HB GLU 28 2HB GLU 28 2.642 -14.091 8.002 608 1HG GLU 28 2HG GLU 28 1.787 -16.379 7.923 609 2HG GLU 28 1HG GLU 28 1.205 -15.485 6.517 610 H LEU 29 H LEU 29 4.536 -12.084 7.196 611 HA LEU 29 HA LEU 29 2.287 -10.227 7.106 612 1HB LEU 29 1HB LEU 29 5.195 -10.111 7.932 613 2HB LEU 29 2HB LEU 29 4.139 -8.703 8.040 614 HG LEU 29 HG LEU 29 3.288 -11.330 9.237 615 1HD1 LEU 29 1HD1 LEU 29 5.638 -10.011 9.989 616 2HD1 LEU 29 2HD1 LEU 29 4.434 -9.460 11.154 617 3HD1 LEU 29 3HD1 LEU 29 4.745 -11.185 10.956 618 1HD2 LEU 29 1HD2 LEU 29 2.415 -8.524 9.216 619 2HD2 LEU 29 2HD2 LEU 29 1.494 -9.983 9.584 620 3HD2 LEU 29 3HD2 LEU 29 2.479 -9.221 10.834 621 H GLU 30 H GLU 30 5.414 -10.525 5.409 622 HA GLU 30 HA GLU 30 5.244 -8.108 3.885 623 1HB GLU 30 1HB GLU 30 7.132 -9.906 4.314 624 2HB GLU 30 2HB GLU 30 6.484 -10.642 2.848 625 1HG GLU 30 1HG GLU 30 6.758 -7.791 2.476 626 2HG GLU 30 2HG GLU 30 8.292 -8.479 3.012 627 H GLY 31 H GLY 31 4.213 -11.450 3.130 628 1HA GLY 31 2HA GLY 31 2.743 -12.252 1.483 629 2HA GLY 31 1HA GLY 31 3.232 -10.870 0.501 630 H LEU 32 H LEU 32 1.774 -10.651 3.713 631 HA LEU 32 HA LEU 32 -0.941 -10.232 2.874 632 1HB LEU 32 1HB LEU 32 0.384 -10.609 5.212 633 2HB LEU 32 2HB LEU 32 0.114 -8.869 5.297 634 HG LEU 32 HG LEU 32 -2.322 -9.334 4.737 635 1HD1 LEU 32 1HD1 LEU 32 -1.199 -12.051 4.695 636 2HD1 LEU 32 2HD1 LEU 32 -2.649 -11.904 5.688 637 3HD1 LEU 32 3HD1 LEU 32 -2.694 -11.443 3.986 638 1HD2 LEU 32 1HD2 LEU 32 -1.117 -10.466 7.281 639 2HD2 LEU 32 2HD2 LEU 32 -1.667 -8.810 7.019 640 3HD2 LEU 32 3HD2 LEU 32 -2.835 -10.132 7.066 641 H MET 33 H MET 33 1.828 -8.063 3.280 642 HA MET 33 HA MET 33 0.491 -5.556 3.146 643 1HB MET 33 1HB MET 33 3.146 -6.664 3.014 644 2HB MET 33 2HB MET 33 2.975 -5.429 1.769 645 1HG MET 33 1HG MET 33 2.413 -3.752 3.349 646 2HG MET 33 2HG MET 33 2.063 -4.940 4.604 647 1HE MET 33 1HE MET 33 4.525 -4.317 1.960 648 2HE MET 33 2HE MET 33 5.249 -2.955 2.808 649 3HE MET 33 3HE MET 33 6.130 -4.482 2.664 650 H MET 34 H MET 34 2.191 -7.221 0.462 651 HA MET 34 HA MET 34 1.402 -5.636 -1.683 652 1HB MET 34 1HB MET 34 2.080 -8.498 -1.227 653 2HB MET 34 2HB MET 34 1.367 -8.099 -2.790 654 1HG MET 34 1HG MET 34 3.084 -6.294 -3.054 655 2HG MET 34 2HG MET 34 3.842 -6.852 -1.562 656 1HE MET 34 1HE MET 34 5.533 -6.545 -3.869 657 2HE MET 34 2HE MET 34 5.785 -7.872 -5.000 658 3HE MET 34 3HE MET 34 4.351 -6.858 -5.147 659 H GLN 35 H GLN 35 -0.464 -8.306 -0.211 660 HA GLN 35 HA GLN 35 -2.624 -8.483 -1.986 661 1HB GLN 35 1HB GLN 35 -2.292 -9.944 -0.067 662 2HB GLN 35 2HB GLN 35 -2.506 -8.592 1.045 663 1HG GLN 35 2HG GLN 35 -4.698 -9.115 1.104 664 2HG GLN 35 1HG GLN 35 -4.799 -8.549 -0.563 665 2HE2 GLN 35 2HE2 GLN 35 -5.116 -11.319 1.440 666 1HE2 GLN 35 1HE2 GLN 35 -5.194 -12.484 0.207 667 H HIS 36 H HIS 36 -3.017 -6.716 1.081 668 HA HIS 36 HA HIS 36 -5.215 -5.145 0.347 669 1HB HIS 36 1HB HIS 36 -2.870 -4.655 2.196 670 2HB HIS 36 2HB HIS 36 -4.306 -3.632 2.181 671 HD1 HIS 36 HD1 HIS 36 -3.078 -6.993 3.235 672 HD2 HIS 36 HD2 HIS 36 -6.702 -4.937 3.111 673 HE1 HIS 36 HE1 HIS 36 -4.707 -8.328 4.639 674 H ALA 37 H ALA 37 -1.760 -4.153 0.204 675 HA ALA 37 HA ALA 37 -2.005 -1.587 -0.867 676 1HB ALA 37 1HB ALA 37 -0.044 -3.710 -0.684 677 2HB ALA 37 3HB ALA 37 0.218 -1.967 -0.703 678 3HB ALA 37 2HB ALA 37 0.127 -2.861 -2.220 679 H GLN 38 H GLN 38 -2.396 -4.692 -2.521 680 HA GLN 38 HA GLN 38 -2.507 -3.564 -5.206 681 1HB GLN 38 1HB GLN 38 -2.655 -6.138 -3.832 682 2HB GLN 38 2HB GLN 38 -3.824 -6.036 -5.149 683 1HG GLN 38 1HG GLN 38 -2.165 -5.692 -6.771 684 2HG GLN 38 2HG GLN 38 -0.983 -5.145 -5.581 685 2HE2 GLN 38 2HE2 GLN 38 0.203 -6.768 -4.384 686 1HE2 GLN 38 1HE2 GLN 38 0.137 -8.415 -4.790 687 H ASN 39 H ASN 39 -4.858 -4.441 -2.699 688 HA ASN 39 HA ASN 39 -7.128 -3.635 -4.438 689 1HB ASN 39 2HB ASN 39 -6.968 -4.740 -1.612 690 2HB ASN 39 1HB ASN 39 -8.445 -4.561 -2.559 691 2HD2 ASN 39 2HD2 ASN 39 -9.063 -6.537 -3.429 692 1HD2 ASN 39 1HD2 ASN 39 -8.000 -7.722 -4.016 693 H LEU 40 H LEU 40 -5.028 -1.756 -3.218 694 HA LEU 40 HA LEU 40 -4.999 0.381 -2.231 695 1HB LEU 40 2HB LEU 40 -7.958 0.125 -2.870 696 2HB LEU 40 1HB LEU 40 -7.097 1.637 -2.582 697 HG LEU 40 HG LEU 40 -5.513 0.722 -4.500 698 1HD1 LEU 40 1HD1 LEU 40 -8.044 -0.875 -4.725 699 2HD1 LEU 40 2HD1 LEU 40 -7.218 -0.368 -6.199 700 3HD1 LEU 40 3HD1 LEU 40 -6.379 -1.375 -5.020 701 1HD2 LEU 40 1HD2 LEU 40 -7.792 2.457 -4.370 702 2HD2 LEU 40 2HD2 LEU 40 -6.406 2.556 -5.455 703 3HD2 LEU 40 3HD2 LEU 40 -7.824 1.616 -5.919 704 H GLU 41 H GLU 41 -5.489 -2.012 -0.495 705 HA GLU 41 HA GLU 41 -7.115 -0.746 1.683 706 1HB GLU 41 1HB GLU 41 -6.270 -3.597 1.076 707 2HB GLU 41 2HB GLU 41 -7.138 -3.128 2.537 708 1HG GLU 41 1HG GLU 41 -8.293 -2.184 -0.032 709 2HG GLU 41 2HG GLU 41 -8.400 -3.916 0.283 710 H PHE 42 H PHE 42 -4.099 -0.484 0.823 711 HA PHE 42 HA PHE 42 -2.440 -1.604 2.822 712 1HB PHE 42 1HB PHE 42 -0.910 0.272 2.105 713 2HB PHE 42 2HB PHE 42 -1.553 -0.698 0.785 714 HD1 PHE 42 HD1 PHE 42 -2.468 2.371 2.790 715 HD2 PHE 42 HD2 PHE 42 -2.453 0.421 -1.065 716 HE1 PHE 42 HE1 PHE 42 -3.422 4.417 1.747 717 HE2 PHE 42 HE2 PHE 42 -3.390 2.470 -2.103 718 HZ PHE 42 HZ PHE 42 -3.874 4.471 -0.697 719 H GLU 43 H GLU 43 -4.854 0.794 3.265 720 HA GLU 43 HA GLU 43 -3.743 2.637 5.063 721 1HB GLU 43 1HB GLU 43 -6.064 2.664 4.258 722 2HB GLU 43 2HB GLU 43 -6.406 1.174 5.138 723 1HG GLU 43 1HG GLU 43 -5.567 2.535 7.222 724 2HG GLU 43 2HG GLU 43 -5.934 3.938 6.216 725 H GLU 44 H GLU 44 -5.503 -0.276 6.132 726 HA GLU 44 HA GLU 44 -4.064 -0.306 8.695 727 1HB GLU 44 1HB GLU 44 -5.557 -2.267 9.079 728 2HB GLU 44 2HB GLU 44 -6.455 -0.860 8.509 729 1HG GLU 44 1HG GLU 44 -6.897 -1.799 6.455 730 2HG GLU 44 2HG GLU 44 -5.395 -2.722 6.437 731 H ALA 45 H ALA 45 -3.732 -1.741 5.553 732 HA ALA 45 HA ALA 45 -2.241 -4.108 6.353 733 1HB ALA 45 1HB ALA 45 -3.330 -2.825 3.988 734 2HB ALA 45 3HB ALA 45 -1.694 -3.404 3.676 735 3HB ALA 45 2HB ALA 45 -2.932 -4.525 4.241 736 H ALA 46 H ALA 46 -1.272 -1.011 4.824 737 HA ALA 46 HA ALA 46 1.477 -1.433 4.608 738 1HB ALA 46 1HB ALA 46 1.559 1.100 4.973 739 2HB ALA 46 3HB ALA 46 0.455 0.533 3.720 740 3HB ALA 46 2HB ALA 46 -0.170 1.008 5.302 741 H GLN 47 H GLN 47 -0.409 -0.894 7.524 742 HA GLN 47 HA GLN 47 1.517 0.002 9.360 743 1HB GLN 47 1HB GLN 47 -0.895 -1.758 9.404 744 2HB GLN 47 2HB GLN 47 0.124 -1.753 10.846 745 1HG GLN 47 1HG GLN 47 0.006 0.893 10.444 746 2HG GLN 47 2HG GLN 47 -1.521 0.446 9.681 747 2HE2 GLN 47 2HE2 GLN 47 -3.245 0.419 11.120 748 1HE2 GLN 47 1HE2 GLN 47 -3.128 0.089 12.781 749 H ILE 48 H ILE 48 1.247 -3.097 7.762 750 HA ILE 48 HA ILE 48 2.895 -4.667 9.510 751 HB ILE 48 HB ILE 48 2.318 -4.777 6.531 752 1HG1 ILE 48 1HG1 ILE 48 1.154 -6.578 8.636 753 2HG1 ILE 48 2HG1 ILE 48 0.472 -4.969 8.401 754 1HG2 ILE 48 1HG2 ILE 48 4.357 -6.056 7.140 755 2HG2 ILE 48 2HG2 ILE 48 3.430 -6.921 8.367 756 3HG2 ILE 48 3HG2 ILE 48 3.035 -7.122 6.659 757 1HD1 ILE 48 1HD1 ILE 48 0.600 -5.746 5.829 758 2HD1 ILE 48 2HD1 ILE 48 0.427 -7.329 6.586 759 3HD1 ILE 48 3HD1 ILE 48 -0.798 -6.089 6.848 760 H ARG 49 H ARG 49 3.609 -2.337 6.963 761 HA ARG 49 HA ARG 49 6.252 -2.937 6.269 762 1HB ARG 49 2HB ARG 49 6.435 -0.564 5.776 763 2HB ARG 49 1HB ARG 49 4.779 -1.063 5.446 764 1HG ARG 49 2HG ARG 49 4.305 0.795 6.707 765 2HG ARG 49 1HG ARG 49 4.498 -0.355 8.029 766 1HD ARG 49 1HD ARG 49 7.062 0.337 7.814 767 2HD ARG 49 2HD ARG 49 6.356 1.813 7.124 768 HE ARG 49 HE ARG 49 4.924 1.031 9.501 769 1HH1 ARG 49 1HH1 ARG 49 8.117 1.131 9.754 770 2HH1 ARG 49 2HH1 ARG 49 8.259 2.659 10.556 771 1HH2 ARG 49 1HH2 ARG 49 4.975 3.587 9.941 772 2HH2 ARG 49 2HH2 ARG 49 6.481 4.050 10.663 773 H ASP 50 H ASP 50 5.042 -1.691 9.323 774 HA ASP 50 HA ASP 50 7.661 -0.921 10.367 775 1HB ASP 50 1HB ASP 50 4.999 -0.445 10.953 776 2HB ASP 50 2HB ASP 50 5.486 -1.532 12.253 777 H GLN 51 H GLN 51 5.419 -3.668 10.849 778 HA GLN 51 HA GLN 51 7.111 -5.092 12.703 779 1HB GLN 51 2HB GLN 51 4.958 -6.047 10.783 780 2HB GLN 51 1HB GLN 51 5.540 -6.931 12.195 781 1HG GLN 51 1HG GLN 51 4.577 -5.418 13.703 782 2HG GLN 51 2HG GLN 51 4.483 -4.132 12.500 783 2HE2 GLN 51 2HE2 GLN 51 3.455 -7.497 11.917 784 1HE2 GLN 51 1HE2 GLN 51 1.807 -7.136 11.735 785 H LEU 52 H LEU 52 6.756 -5.139 9.167 786 HA LEU 52 HA LEU 52 8.390 -7.419 8.617 787 1HB LEU 52 1HB LEU 52 7.062 -5.251 7.254 788 2HB LEU 52 2HB LEU 52 8.671 -5.472 6.567 789 HG LEU 52 HG LEU 52 6.996 -6.894 5.425 790 1HD1 LEU 52 1HD1 LEU 52 9.293 -8.010 6.964 791 2HD1 LEU 52 2HD1 LEU 52 8.203 -9.167 6.200 792 3HD1 LEU 52 3HD1 LEU 52 9.029 -7.953 5.221 793 1HD2 LEU 52 1HD2 LEU 52 5.811 -7.155 7.835 794 2HD2 LEU 52 2HD2 LEU 52 5.584 -8.329 6.538 795 3HD2 LEU 52 3HD2 LEU 52 6.750 -8.648 7.821 796 H HIS 53 H HIS 53 9.204 -3.957 8.947 797 HA HIS 53 HA HIS 53 12.006 -4.264 8.313 798 1HB HIS 53 1HB HIS 53 10.405 -2.184 9.837 799 2HB HIS 53 2HB HIS 53 12.085 -1.967 9.344 800 HD1 HIS 53 HD1 HIS 53 10.064 -0.043 8.161 801 HD2 HIS 53 HD2 HIS 53 11.006 -3.684 6.362 802 HE1 HIS 53 HE1 HIS 53 9.448 0.187 5.715 803 H GLN 54 H GLN 54 10.252 -3.944 11.423 804 HA GLN 54 HA GLN 54 12.530 -4.164 13.128 805 1HB GLN 54 1HB GLN 54 9.745 -3.871 13.304 806 2HB GLN 54 2HB GLN 54 10.092 -5.364 14.180 807 1HG GLN 54 1HG GLN 54 11.762 -4.210 15.547 808 2HG GLN 54 2HG GLN 54 11.506 -2.720 14.639 809 2HE2 GLN 54 2HE2 GLN 54 10.641 -4.204 17.495 810 1HE2 GLN 54 1HE2 GLN 54 9.152 -3.435 17.768 811 H LEU 55 H LEU 55 10.288 -6.665 11.893 812 HA LEU 55 HA LEU 55 11.463 -8.892 13.248 813 1HB LEU 55 1HB LEU 55 9.740 -8.398 10.847 814 2HB LEU 55 2HB LEU 55 10.400 -10.017 11.076 815 HG LEU 55 HG LEU 55 9.302 -8.861 13.539 816 1HD1 LEU 55 1HD1 LEU 55 7.783 -8.618 11.083 817 2HD1 LEU 55 2HD1 LEU 55 6.983 -9.724 12.199 818 3HD1 LEU 55 3HD1 LEU 55 7.360 -8.077 12.707 819 1HD2 LEU 55 1HD2 LEU 55 9.020 -11.429 11.963 820 2HD2 LEU 55 2HD2 LEU 55 9.865 -11.180 13.492 821 3HD2 LEU 55 3HD2 LEU 55 8.103 -11.130 13.440 822 H ARG 56 H ARG 56 12.363 -7.174 10.308 823 HA ARG 56 HA ARG 56 14.029 -9.085 9.048 824 1HB ARG 56 1HB ARG 56 13.321 -6.865 8.167 825 2HB ARG 56 2HB ARG 56 14.397 -6.083 9.325 826 1HG ARG 56 1HG ARG 56 16.194 -7.712 8.242 827 2HG ARG 56 2HG ARG 56 15.076 -7.667 6.878 828 1HD ARG 56 1HD ARG 56 15.325 -5.328 6.596 829 2HD ARG 56 2HD ARG 56 16.011 -5.121 8.220 830 HE ARG 56 HE ARG 56 17.433 -6.311 5.893 831 1HH1 ARG 56 1HH1 ARG 56 18.267 -7.761 8.315 832 2HH1 ARG 56 2HH1 ARG 56 19.557 -6.784 8.934 833 1HH2 ARG 56 1HH2 ARG 56 18.693 -3.993 7.066 834 2HH2 ARG 56 2HH2 ARG 56 19.797 -4.650 8.226 835 H GLU 57 H GLU 57 15.125 -6.454 11.233 836 HA GLU 57 HA GLU 57 17.781 -7.411 11.574 837 1HB GLU 57 1HB GLU 57 17.694 -5.923 13.590 838 2HB GLU 57 2HB GLU 57 17.029 -5.157 12.147 839 1HG GLU 57 1HG GLU 57 14.813 -5.397 12.884 840 2HG GLU 57 2HG GLU 57 15.232 -6.676 14.025 841 H LEU 58 H LEU 58 14.770 -8.464 12.991 842 HA LEU 58 HA LEU 58 15.884 -9.778 15.324 843 1HB LEU 58 1HB LEU 58 13.335 -9.409 13.940 844 2HB LEU 58 2HB LEU 58 13.488 -11.026 14.626 845 HG LEU 58 HG LEU 58 14.076 -8.501 16.190 846 1HD1 LEU 58 1HD1 LEU 58 11.621 -8.968 15.301 847 2HD1 LEU 58 2HD1 LEU 58 11.609 -10.152 16.608 848 3HD1 LEU 58 3HD1 LEU 58 11.887 -8.447 16.964 849 1HD2 LEU 58 1HD2 LEU 58 13.879 -11.444 16.799 850 2HD2 LEU 58 2HD2 LEU 58 15.131 -10.296 17.275 851 3HD2 LEU 58 3HD2 LEU 58 13.553 -10.258 18.063 852 H PHE 59 H PHE 59 15.680 -10.600 11.951 853 HA PHE 59 HA PHE 59 15.588 -13.406 11.948 854 1HB PHE 59 1HB PHE 59 15.661 -11.785 10.010 855 2HB PHE 59 2HB PHE 59 17.400 -11.641 10.275 856 HD1 PHE 59 HD1 PHE 59 18.910 -13.574 9.911 857 HD2 PHE 59 HD2 PHE 59 14.680 -13.806 9.072 858 HE1 PHE 59 HE1 PHE 59 19.285 -15.657 8.593 859 HE2 PHE 59 HE2 PHE 59 15.056 -15.889 7.756 860 HZ PHE 59 HZ PHE 59 17.358 -16.815 7.517 861 H ILE 60 H ILE 60 18.455 -11.307 12.383 862 HA ILE 60 HA ILE 60 20.295 -13.523 12.743 863 HB ILE 60 HB ILE 60 20.442 -10.582 13.483 864 1HG1 ILE 60 1HG1 ILE 60 21.655 -11.909 11.061 865 2HG1 ILE 60 2HG1 ILE 60 19.992 -11.321 11.030 866 1HG2 ILE 60 1HG2 ILE 60 22.141 -11.977 14.627 867 2HG2 ILE 60 2HG2 ILE 60 22.639 -12.633 13.067 868 3HG2 ILE 60 3HG2 ILE 60 22.877 -10.922 13.420 869 1HD1 ILE 60 1HD1 ILE 60 21.336 -9.195 12.155 870 2HD1 ILE 60 2HD1 ILE 60 22.513 -9.807 10.993 871 3HD1 ILE 60 3HD1 ILE 60 20.905 -9.328 10.449 872 H ALA 61 H ALA 61 18.435 -11.427 14.928 873 HA ALA 61 HA ALA 61 19.671 -12.399 17.367 874 1HB ALA 61 1HB ALA 61 18.611 -10.249 17.326 875 2HB ALA 61 3HB ALA 61 17.122 -10.923 16.662 876 3HB ALA 61 2HB ALA 61 17.582 -11.270 18.330 877 H ALA 62 H ALA 62 17.177 -13.605 15.262 878 HA ALA 62 HA ALA 62 15.988 -15.357 17.320 879 1HB ALA 62 1HB ALA 62 15.415 -15.710 14.428 880 2HB ALA 62 3HB ALA 62 15.063 -14.112 15.086 881 3HB ALA 62 2HB ALA 62 14.296 -15.541 15.781 882 H SER 63 H SER 63 17.432 -15.972 14.091 883 HA SER 63 HA SER 63 17.871 -18.755 14.476 884 1HB SER 63 1HB SER 63 18.024 -17.061 12.422 885 2HB SER 63 2HB SER 63 19.736 -17.081 12.836 886 HG SER 63 HG SER 63 19.566 -18.789 11.538 No H/Q in entry = 886 Start of MODEL 15 1 H LEU 8 H LEU 8 -34.911 10.681 -26.306 2 HA LEU 8 HA LEU 8 -33.373 10.454 -24.513 3 1HB LEU 8 1HB LEU 8 -33.589 8.163 -23.510 4 2HB LEU 8 2HB LEU 8 -35.145 8.865 -23.960 5 HG LEU 8 HG LEU 8 -33.866 7.359 -26.136 6 1HD1 LEU 8 1HD1 LEU 8 -33.185 6.061 -24.066 7 2HD1 LEU 8 2HD1 LEU 8 -34.902 5.823 -23.740 8 3HD1 LEU 8 3HD1 LEU 8 -34.182 5.162 -25.209 9 1HD2 LEU 8 1HD2 LEU 8 -36.432 8.191 -25.300 10 2HD2 LEU 8 2HD2 LEU 8 -36.037 7.250 -26.738 11 3HD2 LEU 8 3HD2 LEU 8 -36.454 6.429 -25.233 12 H GLU 9 H GLU 9 -31.598 10.889 -26.228 13 HA GLU 9 HA GLU 9 -29.800 8.492 -26.410 14 1HB GLU 9 1HB GLU 9 -30.947 9.317 -28.540 15 2HB GLU 9 2HB GLU 9 -29.986 10.787 -28.378 16 1HG GLU 9 1HG GLU 9 -27.947 9.205 -28.214 17 2HG GLU 9 2HG GLU 9 -29.028 7.966 -28.855 18 HA PRO 10 HA PRO 10 -27.803 12.193 -24.310 19 1HB PRO 10 1HB PRO 10 -27.296 11.004 -21.898 20 2HB PRO 10 2HB PRO 10 -28.802 11.876 -22.248 21 1HG PRO 10 2HG PRO 10 -28.272 8.949 -22.216 22 2HG PRO 10 1HG PRO 10 -29.702 9.844 -21.681 23 1HD PRO 10 1HD PRO 10 -29.553 8.501 -24.056 24 2HD PRO 10 2HD PRO 10 -30.611 9.902 -23.777 25 H ASP 11 H ASP 11 -26.952 8.768 -23.658 26 HA ASP 11 HA ASP 11 -24.926 7.601 -23.965 27 1HB ASP 11 1HB ASP 11 -25.235 9.526 -26.093 28 2HB ASP 11 2HB ASP 11 -23.525 9.363 -25.694 29 H ASN 12 H ASN 12 -23.585 10.856 -24.452 30 HA ASN 12 HA ASN 12 -22.298 10.700 -21.756 31 1HB ASN 12 1HB ASN 12 -20.157 11.337 -22.892 32 2HB ASN 12 2HB ASN 12 -20.758 9.761 -23.410 33 2HD2 ASN 12 2HD2 ASN 12 -20.500 13.181 -24.405 34 1HD2 ASN 12 1HD2 ASN 12 -20.743 12.887 -26.060 35 H VAL 13 H VAL 13 -24.502 12.366 -22.951 36 HA VAL 13 HA VAL 13 -23.289 15.042 -23.224 37 HB VAL 13 HB VAL 13 -25.949 13.729 -23.634 38 1HG1 VAL 13 1HG1 VAL 13 -25.560 16.633 -22.946 39 2HG1 VAL 13 2HG1 VAL 13 -26.800 16.165 -24.111 40 3HG1 VAL 13 3HG1 VAL 13 -26.860 15.543 -22.461 41 1HG2 VAL 13 1HG2 VAL 13 -23.991 14.270 -25.316 42 2HG2 VAL 13 2HG2 VAL 13 -25.671 14.472 -25.813 43 3HG2 VAL 13 3HG2 VAL 13 -24.722 15.875 -25.323 44 HA PRO 14 HA PRO 14 -25.535 15.630 -19.107 45 1HB PRO 14 1HB PRO 14 -26.807 13.525 -17.919 46 2HB PRO 14 2HB PRO 14 -27.587 14.557 -19.133 47 1HG PRO 14 2HG PRO 14 -26.603 11.804 -19.372 48 2HG PRO 14 1HG PRO 14 -27.822 12.658 -20.325 49 1HD PRO 14 1HD PRO 14 -25.121 12.134 -21.039 50 2HD PRO 14 2HD PRO 14 -26.318 13.080 -21.933 51 H MET 15 H MET 15 -24.403 12.233 -19.172 52 HA MET 15 HA MET 15 -22.533 12.931 -16.949 53 1HB MET 15 1HB MET 15 -24.704 11.166 -16.957 54 2HB MET 15 2HB MET 15 -23.292 10.123 -17.126 55 1HG MET 15 1HG MET 15 -22.876 10.366 -14.929 56 2HG MET 15 2HG MET 15 -22.627 12.091 -15.190 57 1HE MET 15 1HE MET 15 -23.616 10.324 -12.812 58 2HE MET 15 2HE MET 15 -25.269 10.611 -12.275 59 3HE MET 15 3HE MET 15 -24.937 9.402 -13.524 60 H ASP 16 H ASP 16 -21.059 10.584 -16.924 61 HA ASP 16 HA ASP 16 -19.246 9.543 -18.018 62 1HB ASP 16 1HB ASP 16 -21.542 9.069 -19.416 63 2HB ASP 16 2HB ASP 16 -20.556 9.832 -20.662 64 H MET 17 H MET 17 -18.345 11.872 -17.543 65 HA MET 17 HA MET 17 -16.785 12.710 -19.822 66 1HB MET 17 1HB MET 17 -17.909 14.976 -20.025 67 2HB MET 17 2HB MET 17 -18.893 13.624 -20.585 68 1HG MET 17 1HG MET 17 -19.976 13.557 -18.313 69 2HG MET 17 2HG MET 17 -19.101 15.037 -17.912 70 1HE MET 17 1HE MET 17 -19.474 17.195 -18.611 71 2HE MET 17 2HE MET 17 -19.113 16.947 -20.317 72 3HE MET 17 3HE MET 17 -20.579 17.804 -19.850 73 H SER 18 H SER 18 -18.186 13.629 -16.685 74 HA SER 18 HA SER 18 -17.206 14.697 -14.819 75 1HB SER 18 1HB SER 18 -14.608 13.810 -16.087 76 2HB SER 18 2HB SER 18 -14.985 13.947 -14.372 77 HG SER 18 HG SER 18 -15.516 11.928 -16.159 78 HA PRO 19 HA PRO 19 -15.638 18.581 -16.160 79 1HB PRO 19 1HB PRO 19 -14.281 19.472 -13.965 80 2HB PRO 19 2HB PRO 19 -16.049 19.340 -14.031 81 1HG PRO 19 1HG PRO 19 -14.107 17.679 -12.607 82 2HG PRO 19 2HG PRO 19 -15.829 17.908 -12.303 83 1HD PRO 19 1HD PRO 19 -14.563 15.704 -13.593 84 2HD PRO 19 2HD PRO 19 -16.303 15.976 -13.358 85 H LYS 20 H LYS 20 -13.673 16.115 -16.347 86 HA LYS 20 HA LYS 20 -11.534 15.787 -17.276 87 1HB LYS 20 1HB LYS 20 -12.515 17.828 -18.567 88 2HB LYS 20 2HB LYS 20 -11.381 18.778 -17.605 89 1HG LYS 20 1HG LYS 20 -10.432 16.327 -19.069 90 2HG LYS 20 2HG LYS 20 -10.601 17.859 -19.924 91 1HD LYS 20 1HD LYS 20 -9.286 18.363 -17.431 92 2HD LYS 20 2HD LYS 20 -8.461 17.028 -18.235 93 1HE LYS 20 1HE LYS 20 -8.774 18.659 -20.362 94 2HE LYS 20 2HE LYS 20 -8.694 19.877 -19.072 95 1HZ LYS 20 1HZ LYS 20 -6.712 18.776 -18.214 96 2HZ LYS 20 2HZ LYS 20 -6.770 17.647 -19.478 97 3HZ LYS 20 3HZ LYS 20 -6.473 19.285 -19.817 98 H ALA 21 H ALA 21 -11.168 18.990 -15.692 99 HA ALA 21 HA ALA 21 -8.587 18.741 -14.715 100 1HB ALA 21 1HB ALA 21 -9.412 20.792 -14.185 101 2HB ALA 21 3HB ALA 21 -9.923 20.035 -12.676 102 3HB ALA 21 2HB ALA 21 -11.057 20.180 -14.018 103 H LEU 22 H LEU 22 -11.545 17.616 -13.048 104 HA LEU 22 HA LEU 22 -10.025 16.416 -10.847 105 1HB LEU 22 1HB LEU 22 -12.905 16.490 -11.767 106 2HB LEU 22 2HB LEU 22 -12.409 15.523 -10.377 107 HG LEU 22 HG LEU 22 -11.354 17.626 -9.425 108 1HD1 LEU 22 1HD1 LEU 22 -12.637 18.687 -11.911 109 2HD1 LEU 22 2HD1 LEU 22 -12.627 19.707 -10.472 110 3HD1 LEU 22 3HD1 LEU 22 -11.107 19.139 -11.163 111 1HD2 LEU 22 1HD2 LEU 22 -13.629 16.702 -8.789 112 2HD2 LEU 22 2HD2 LEU 22 -13.443 18.438 -8.533 113 3HD2 LEU 22 3HD2 LEU 22 -14.333 17.844 -9.933 114 H GLN 23 H GLN 23 -11.895 15.259 -13.639 115 HA GLN 23 HA GLN 23 -11.703 12.479 -13.285 116 1HB GLN 23 1HB GLN 23 -12.968 13.724 -15.036 117 2HB GLN 23 2HB GLN 23 -11.445 14.079 -15.852 118 1HG GLN 23 1HG GLN 23 -11.142 11.441 -15.681 119 2HG GLN 23 2HG GLN 23 -12.905 11.479 -15.609 120 2HE2 GLN 23 2HE2 GLN 23 -12.319 10.299 -17.850 121 1HE2 GLN 23 1HE2 GLN 23 -12.280 11.326 -19.201 122 H GLN 24 H GLN 24 -9.282 14.715 -14.635 123 HA GLN 24 HA GLN 24 -7.411 12.594 -15.356 124 1HB GLN 24 1HB GLN 24 -7.825 15.313 -15.880 125 2HB GLN 24 2HB GLN 24 -6.309 15.268 -14.976 126 1HG GLN 24 1HG GLN 24 -6.507 13.149 -16.995 127 2HG GLN 24 2HG GLN 24 -6.563 14.772 -17.685 128 2HE2 GLN 24 2HE2 GLN 24 -4.478 12.398 -16.249 129 1HE2 GLN 24 1HE2 GLN 24 -3.074 13.351 -16.205 130 H LYS 25 H LYS 25 -7.687 14.936 -12.672 131 HA LYS 25 HA LYS 25 -5.238 14.106 -11.364 132 1HB LYS 25 1HB LYS 25 -7.707 15.678 -10.611 133 2HB LYS 25 2HB LYS 25 -6.409 15.393 -9.450 134 1HG LYS 25 1HG LYS 25 -4.845 16.622 -10.701 135 2HG LYS 25 2HG LYS 25 -5.792 16.491 -12.184 136 1HD LYS 25 2HD LYS 25 -6.564 18.560 -11.693 137 2HD LYS 25 1HD LYS 25 -7.530 17.772 -10.446 138 1HE LYS 25 1HE LYS 25 -6.230 18.593 -8.758 139 2HE LYS 25 2HE LYS 25 -4.728 18.310 -9.660 140 1HZ LYS 25 1HZ LYS 25 -6.694 20.457 -10.258 141 2HZ LYS 25 2HZ LYS 25 -5.228 20.691 -9.438 142 3HZ LYS 25 3HZ LYS 25 -5.222 20.192 -11.063 143 H ILE 26 H ILE 26 -8.682 13.278 -10.943 144 HA ILE 26 HA ILE 26 -8.344 11.637 -8.606 145 HB ILE 26 HB ILE 26 -10.397 11.663 -10.841 146 1HG1 ILE 26 1HG1 ILE 26 -10.596 12.849 -8.066 147 2HG1 ILE 26 2HG1 ILE 26 -9.985 13.772 -9.439 148 1HG2 ILE 26 1HG2 ILE 26 -10.104 10.017 -8.413 149 2HG2 ILE 26 2HG2 ILE 26 -11.679 10.797 -8.574 150 3HG2 ILE 26 3HG2 ILE 26 -11.085 9.735 -9.851 151 1HD1 ILE 26 1HD1 ILE 26 -12.664 12.360 -9.449 152 2HD1 ILE 26 2HD1 ILE 26 -12.464 14.054 -8.999 153 3HD1 ILE 26 3HD1 ILE 26 -12.062 13.523 -10.631 154 H HIS 27 H HIS 27 -8.416 10.860 -12.095 155 HA HIS 27 HA HIS 27 -8.044 8.000 -11.664 156 1HB HIS 27 1HB HIS 27 -8.983 9.575 -13.660 157 2HB HIS 27 2HB HIS 27 -7.343 9.296 -14.247 158 HD1 HIS 27 HD1 HIS 27 -6.716 6.907 -14.968 159 HD2 HIS 27 HD2 HIS 27 -10.595 7.204 -13.472 160 HE1 HIS 27 HE1 HIS 27 -7.861 4.713 -15.507 161 H GLU 28 H GLU 28 -5.937 10.758 -11.880 162 HA GLU 28 HA GLU 28 -3.557 9.277 -12.710 163 1HB GLU 28 1HB GLU 28 -4.302 12.031 -11.803 164 2HB GLU 28 2HB GLU 28 -2.600 11.571 -11.743 165 1HG GLU 28 1HG GLU 28 -4.229 11.063 -14.223 166 2HG GLU 28 2HG GLU 28 -3.512 12.649 -13.932 167 H LEU 29 H LEU 29 -4.559 10.833 -9.633 168 HA LEU 29 HA LEU 29 -2.395 9.803 -8.067 169 1HB LEU 29 1HB LEU 29 -5.175 10.846 -7.516 170 2HB LEU 29 2HB LEU 29 -4.118 10.332 -6.201 171 HG LEU 29 HG LEU 29 -3.131 12.260 -8.294 172 1HD1 LEU 29 1HD1 LEU 29 -4.831 12.833 -5.862 173 2HD1 LEU 29 2HD1 LEU 29 -3.753 14.045 -6.553 174 3HD1 LEU 29 3HD1 LEU 29 -5.076 13.389 -7.517 175 1HD2 LEU 29 1HD2 LEU 29 -2.057 10.992 -5.989 176 2HD2 LEU 29 2HD2 LEU 29 -1.294 12.228 -6.988 177 3HD2 LEU 29 3HD2 LEU 29 -2.254 12.697 -5.585 178 H GLU 30 H GLU 30 -5.476 8.416 -9.046 179 HA GLU 30 HA GLU 30 -5.662 6.324 -7.095 180 1HB GLU 30 1HB GLU 30 -7.416 7.167 -8.705 181 2HB GLU 30 2HB GLU 30 -6.557 6.323 -9.994 182 1HG GLU 30 1HG GLU 30 -6.795 4.397 -8.001 183 2HG GLU 30 2HG GLU 30 -8.340 5.247 -7.944 184 H GLY 31 H GLY 31 -3.948 6.553 -10.197 185 1HA GLY 31 2HA GLY 31 -2.544 4.991 -11.278 186 2HA GLY 31 1HA GLY 31 -3.169 3.745 -10.199 187 H LEU 32 H LEU 32 -1.919 6.680 -8.816 188 HA LEU 32 HA LEU 32 0.835 5.892 -8.524 189 1HB LEU 32 1HB LEU 32 -0.387 8.179 -8.278 190 2HB LEU 32 2HB LEU 32 -0.711 7.654 -6.625 191 HG LEU 32 HG LEU 32 1.779 7.212 -6.394 192 1HD1 LEU 32 1HD1 LEU 32 1.733 7.634 -9.151 193 2HD1 LEU 32 2HD1 LEU 32 2.459 9.107 -8.506 194 3HD1 LEU 32 3HD1 LEU 32 3.175 7.537 -8.139 195 1HD2 LEU 32 1HD2 LEU 32 0.380 9.798 -6.567 196 2HD2 LEU 32 2HD2 LEU 32 1.409 9.160 -5.283 197 3HD2 LEU 32 3HD2 LEU 32 2.133 9.929 -6.696 198 H MET 33 H MET 33 -2.086 5.200 -6.680 199 HA MET 33 HA MET 33 -0.911 4.342 -4.228 200 1HB MET 33 1HB MET 33 -3.429 3.773 -5.776 201 2HB MET 33 2HB MET 33 -3.105 2.895 -4.281 202 1HG MET 33 1HG MET 33 -3.468 4.725 -2.978 203 2HG MET 33 2HG MET 33 -2.659 5.809 -4.112 204 1HE MET 33 1HE MET 33 -5.483 3.306 -3.993 205 2HE MET 33 2HE MET 33 -6.111 4.472 -2.822 206 3HE MET 33 3HE MET 33 -6.949 4.215 -4.350 207 H MET 34 H MET 34 -2.179 2.204 -6.815 208 HA MET 34 HA MET 34 -0.909 -0.168 -5.883 209 1HB MET 34 1HB MET 34 -2.802 0.012 -7.492 210 2HB MET 34 2HB MET 34 -1.689 0.657 -8.699 211 1HG MET 34 2HG MET 34 -1.842 -1.667 -9.183 212 2HG MET 34 1HG MET 34 -0.307 -1.475 -8.336 213 1HE MET 34 1HE MET 34 -3.943 -1.914 -8.101 214 2HE MET 34 2HE MET 34 -4.272 -3.100 -6.831 215 3HE MET 34 3HE MET 34 -3.961 -1.418 -6.411 216 H GLN 35 H GLN 35 0.251 2.428 -7.982 217 HA GLN 35 HA GLN 35 2.489 1.204 -9.181 218 1HB GLN 35 1HB GLN 35 1.678 3.434 -9.731 219 2HB GLN 35 2HB GLN 35 2.051 4.008 -8.107 220 1HG GLN 35 2HG GLN 35 4.085 4.597 -8.879 221 2HG GLN 35 1HG GLN 35 4.445 2.879 -9.038 222 2HE2 GLN 35 2HE2 GLN 35 2.819 5.535 -10.862 223 1HE2 GLN 35 1HE2 GLN 35 3.275 4.960 -12.392 224 H HIS 36 H HIS 36 2.959 3.479 -6.480 225 HA HIS 36 HA HIS 36 5.460 2.400 -5.666 226 1HB HIS 36 1HB HIS 36 3.324 4.148 -4.486 227 2HB HIS 36 2HB HIS 36 4.673 3.647 -3.468 228 HD1 HIS 36 HD1 HIS 36 4.385 6.614 -4.280 229 HD2 HIS 36 HD2 HIS 36 6.658 3.847 -6.414 230 HE1 HIS 36 HE1 HIS 36 6.089 7.949 -5.596 231 H ALA 37 H ALA 37 2.169 1.788 -4.390 232 HA ALA 37 HA ALA 37 2.722 0.132 -2.206 233 1HB ALA 37 1HB ALA 37 0.592 -0.118 -4.358 234 2HB ALA 37 2HB ALA 37 0.507 -0.875 -2.768 235 3HB ALA 37 3HB ALA 37 0.492 0.883 -2.909 236 H GLN 38 H GLN 38 2.693 -0.729 -5.670 237 HA GLN 38 HA GLN 38 3.033 -3.546 -5.411 238 1HB GLN 38 1HB GLN 38 3.336 -1.421 -7.420 239 2HB GLN 38 2HB GLN 38 4.422 -2.785 -7.685 240 1HG GLN 38 1HG GLN 38 1.888 -3.859 -6.968 241 2HG GLN 38 2HG GLN 38 1.604 -2.629 -8.200 242 2HE2 GLN 38 2HE2 GLN 38 1.250 -4.042 -9.996 243 1HE2 GLN 38 1HE2 GLN 38 2.443 -5.090 -10.596 244 H ASN 39 H ASN 39 5.348 -0.866 -5.319 245 HA ASN 39 HA ASN 39 7.644 -2.721 -5.047 246 1HB ASN 39 1HB ASN 39 7.136 0.177 -5.531 247 2HB ASN 39 2HB ASN 39 8.654 -0.237 -4.735 248 2HD2 ASN 39 2HD2 ASN 39 6.692 -1.160 -7.615 249 1HD2 ASN 39 1HD2 ASN 39 8.031 -1.536 -8.589 250 H LEU 40 H LEU 40 5.347 -2.153 -2.975 251 HA LEU 40 HA LEU 40 5.170 -1.998 -0.645 252 1HB LEU 40 1HB LEU 40 8.009 -2.937 -1.113 253 2HB LEU 40 2HB LEU 40 7.316 -2.819 0.505 254 HG LEU 40 HG LEU 40 5.372 -4.233 -0.409 255 1HD1 LEU 40 1HD1 LEU 40 7.379 -4.396 -2.647 256 2HD1 LEU 40 2HD1 LEU 40 6.299 -5.751 -2.323 257 3HD1 LEU 40 3HD1 LEU 40 5.633 -4.174 -2.741 258 1HD2 LEU 40 1HD2 LEU 40 7.628 -4.914 0.912 259 2HD2 LEU 40 2HD2 LEU 40 6.411 -6.099 0.439 260 3HD2 LEU 40 3HD2 LEU 40 7.852 -5.873 -0.551 261 H GLU 41 H GLU 41 6.196 0.389 -2.272 262 HA GLU 41 HA GLU 41 8.079 1.848 -0.642 263 1HB GLU 41 1HB GLU 41 6.045 2.452 -2.776 264 2HB GLU 41 2HB GLU 41 6.839 3.785 -1.937 265 1HG GLU 41 1HG GLU 41 8.567 1.572 -2.951 266 2HG GLU 41 2HG GLU 41 7.894 2.690 -4.138 267 H PHE 42 H PHE 42 4.529 1.791 -0.828 268 HA PHE 42 HA PHE 42 2.890 2.628 0.643 269 1HB PHE 42 1HB PHE 42 5.122 1.455 2.272 270 2HB PHE 42 2HB PHE 42 3.761 2.204 3.103 271 HD1 PHE 42 HD1 PHE 42 1.471 1.561 1.370 272 HD2 PHE 42 HD2 PHE 42 4.853 -0.875 2.504 273 HE1 PHE 42 HE1 PHE 42 0.114 -0.496 1.004 274 HE2 PHE 42 HE2 PHE 42 3.490 -2.931 2.139 275 HZ PHE 42 HZ PHE 42 1.120 -2.737 1.392 276 H GLU 43 H GLU 43 2.774 4.037 2.816 277 HA GLU 43 HA GLU 43 2.989 6.132 3.826 278 1HB GLU 43 1HB GLU 43 5.329 5.484 4.148 279 2HB GLU 43 2HB GLU 43 5.717 5.951 2.494 280 1HG GLU 43 1HG GLU 43 4.885 8.278 3.074 281 2HG GLU 43 2HG GLU 43 4.866 7.755 4.760 282 H GLU 44 H GLU 44 4.675 6.346 0.729 283 HA GLU 44 HA GLU 44 3.287 8.840 0.030 284 1HB GLU 44 2HB GLU 44 4.770 8.750 -1.915 285 2HB GLU 44 1HB GLU 44 5.692 8.350 -0.467 286 1HG GLU 44 1HG GLU 44 5.505 5.963 -0.964 287 2HG GLU 44 2HG GLU 44 4.484 6.309 -2.359 288 H ALA 45 H ALA 45 3.162 5.407 -0.843 289 HA ALA 45 HA ALA 45 1.309 5.817 -3.073 290 1HB ALA 45 1HB ALA 45 1.628 3.176 -1.752 291 2HB ALA 45 3HB ALA 45 3.105 3.926 -2.354 292 3HB ALA 45 2HB ALA 45 1.768 3.603 -3.457 293 H ALA 46 H ALA 46 1.022 4.570 0.272 294 HA ALA 46 HA ALA 46 -1.832 4.053 -0.003 295 1HB ALA 46 1HB ALA 46 -0.187 2.845 1.465 296 2HB ALA 46 3HB ALA 46 -0.110 4.287 2.478 297 3HB ALA 46 2HB ALA 46 -1.627 3.400 2.319 298 H GLN 47 H GLN 47 0.095 6.808 1.062 299 HA GLN 47 HA GLN 47 -1.942 8.144 2.587 300 1HB GLN 47 1HB GLN 47 0.594 8.847 1.168 301 2HB GLN 47 2HB GLN 47 -0.461 10.167 1.672 302 1HG GLN 47 1HG GLN 47 0.312 7.962 3.581 303 2HG GLN 47 2HG GLN 47 1.329 9.387 3.361 304 2HE2 GLN 47 2HE2 GLN 47 0.173 11.557 3.709 305 1HE2 GLN 47 1HE2 GLN 47 -1.060 11.618 4.873 306 H ILE 48 H ILE 48 -1.238 7.995 -0.880 307 HA ILE 48 HA ILE 48 -2.762 10.144 -1.865 308 HB ILE 48 HB ILE 48 -2.397 7.311 -2.898 309 1HG1 ILE 48 2HG1 ILE 48 -0.299 8.543 -2.493 310 2HG1 ILE 48 1HG1 ILE 48 -0.578 8.348 -4.223 311 1HG2 ILE 48 1HG2 ILE 48 -3.850 9.631 -3.967 312 2HG2 ILE 48 2HG2 ILE 48 -2.642 8.988 -5.081 313 3HG2 ILE 48 3HG2 ILE 48 -3.916 7.939 -4.461 314 1HD1 ILE 48 1HD1 ILE 48 -1.896 10.720 -3.622 315 2HD1 ILE 48 2HD1 ILE 48 -0.437 10.798 -2.635 316 3HD1 ILE 48 3HD1 ILE 48 -0.309 10.586 -4.381 317 H ARG 49 H ARG 49 -3.819 7.091 -0.491 318 HA ARG 49 HA ARG 49 -6.488 6.936 -1.403 319 1HB ARG 49 1HB ARG 49 -5.521 5.152 -0.153 320 2HB ARG 49 2HB ARG 49 -5.046 6.222 1.159 321 1HG ARG 49 1HG ARG 49 -7.895 6.392 0.816 322 2HG ARG 49 2HG ARG 49 -7.432 4.696 0.938 323 1HD ARG 49 1HD ARG 49 -7.867 5.734 3.181 324 2HD ARG 49 2HD ARG 49 -6.197 5.160 3.021 325 HE ARG 49 HE ARG 49 -5.552 7.522 2.480 326 1HH1 ARG 49 1HH1 ARG 49 -8.821 7.743 2.486 327 2HH1 ARG 49 2HH1 ARG 49 -8.953 8.953 3.718 328 1HH2 ARG 49 1HH2 ARG 49 -5.630 8.716 4.680 329 2HH2 ARG 49 2HH2 ARG 49 -7.148 9.504 4.960 330 H ASP 50 H ASP 50 -4.991 9.098 0.928 331 HA ASP 50 HA ASP 50 -7.499 10.062 2.076 332 1HB ASP 50 1HB ASP 50 -5.019 10.015 2.966 333 2HB ASP 50 2HB ASP 50 -4.881 11.542 2.094 334 H GLN 51 H GLN 51 -5.311 11.061 -0.527 335 HA GLN 51 HA GLN 51 -6.687 13.604 -0.996 336 1HB GLN 51 2HB GLN 51 -4.709 11.999 -2.652 337 2HB GLN 51 1HB GLN 51 -5.113 13.699 -2.894 338 1HG GLN 51 1HG GLN 51 -4.236 14.263 -0.687 339 2HG GLN 51 2HG GLN 51 -3.921 12.560 -0.349 340 2HE2 GLN 51 2HE2 GLN 51 -3.327 14.234 -3.459 341 1HE2 GLN 51 1HE2 GLN 51 -1.645 14.011 -3.439 342 H LEU 52 H LEU 52 -6.628 10.376 -2.509 343 HA LEU 52 HA LEU 52 -8.301 10.986 -4.751 344 1HB LEU 52 1HB LEU 52 -6.867 8.849 -3.757 345 2HB LEU 52 2HB LEU 52 -8.533 8.302 -3.561 346 HG LEU 52 HG LEU 52 -7.659 7.665 -5.777 347 1HD1 LEU 52 1HD1 LEU 52 -10.076 8.839 -5.228 348 2HD1 LEU 52 2HD1 LEU 52 -9.498 9.831 -6.566 349 3HD1 LEU 52 3HD1 LEU 52 -9.661 8.087 -6.769 350 1HD2 LEU 52 1HD2 LEU 52 -6.283 10.013 -5.684 351 2HD2 LEU 52 2HD2 LEU 52 -6.582 9.120 -7.176 352 3HD2 LEU 52 3HD2 LEU 52 -7.625 10.472 -6.733 353 H HIS 53 H HIS 53 -9.077 9.736 -1.492 354 HA HIS 53 HA HIS 53 -11.908 9.477 -1.927 355 1HB HIS 53 1HB HIS 53 -10.604 8.384 -0.130 356 2HB HIS 53 2HB HIS 53 -10.283 9.961 0.593 357 HD1 HIS 53 HD1 HIS 53 -12.322 11.226 1.664 358 HD2 HIS 53 HD2 HIS 53 -13.192 7.362 0.362 359 HE1 HIS 53 HE1 HIS 53 -14.556 10.610 2.688 360 H GLN 54 H GLN 54 -9.889 12.123 -0.648 361 HA GLN 54 HA GLN 54 -12.064 13.862 0.083 362 1HB GLN 54 1HB GLN 54 -9.133 13.903 -0.213 363 2HB GLN 54 2HB GLN 54 -9.896 15.470 -0.488 364 1HG GLN 54 1HG GLN 54 -11.246 14.814 1.705 365 2HG GLN 54 2HG GLN 54 -9.828 13.806 1.998 366 2HE2 GLN 54 2HE2 GLN 54 -7.932 15.634 0.661 367 1HE2 GLN 54 1HE2 GLN 54 -7.770 16.986 1.674 368 H LEU 55 H LEU 55 -10.079 13.573 -2.871 369 HA LEU 55 HA LEU 55 -11.276 15.800 -4.256 370 1HB LEU 55 1HB LEU 55 -9.545 13.441 -4.842 371 2HB LEU 55 2HB LEU 55 -10.330 14.214 -6.220 372 HG LEU 55 HG LEU 55 -9.109 16.081 -4.281 373 1HD1 LEU 55 1HD1 LEU 55 -7.608 13.838 -4.859 374 2HD1 LEU 55 2HD1 LEU 55 -7.103 14.965 -6.119 375 3HD1 LEU 55 3HD1 LEU 55 -6.944 15.412 -4.421 376 1HD2 LEU 55 1HD2 LEU 55 -10.161 16.510 -6.615 377 2HD2 LEU 55 2HD2 LEU 55 -8.635 17.311 -6.243 378 3HD2 LEU 55 3HD2 LEU 55 -8.650 15.867 -7.257 379 H ARG 56 H ARG 56 -12.282 12.508 -3.702 380 HA ARG 56 HA ARG 56 -13.977 12.019 -5.913 381 1HB ARG 56 1HB ARG 56 -13.366 10.401 -4.154 382 2HB ARG 56 2HB ARG 56 -14.306 11.318 -2.977 383 1HG ARG 56 1HG ARG 56 -16.230 10.984 -4.792 384 2HG ARG 56 2HG ARG 56 -15.251 9.580 -5.217 385 1HD ARG 56 1HD ARG 56 -15.525 8.587 -3.095 386 2HD ARG 56 2HD ARG 56 -15.984 10.125 -2.337 387 HE ARG 56 HE ARG 56 -17.796 9.385 -4.484 388 1HH1 ARG 56 1HH1 ARG 56 -17.973 10.493 -1.473 389 2HH1 ARG 56 2HH1 ARG 56 -19.122 9.352 -0.857 390 1HH2 ARG 56 1HH2 ARG 56 -18.852 7.212 -3.573 391 2HH2 ARG 56 2HH2 ARG 56 -19.619 7.495 -2.046 392 H GLU 57 H GLU 57 -14.826 13.530 -2.771 393 HA GLU 57 HA GLU 57 -17.536 14.144 -3.412 394 1HB GLU 57 1HB GLU 57 -16.464 14.157 -1.161 395 2HB GLU 57 2HB GLU 57 -15.566 15.604 -1.620 396 1HG GLU 57 1HG GLU 57 -17.350 16.673 -0.669 397 2HG GLU 57 2HG GLU 57 -18.079 16.398 -2.252 398 H LEU 58 H LEU 58 -14.519 15.918 -4.011 399 HA LEU 58 HA LEU 58 -15.564 18.432 -4.778 400 1HB LEU 58 1HB LEU 58 -13.120 16.946 -4.883 401 2HB LEU 58 2HB LEU 58 -13.372 17.689 -6.463 402 HG LEU 58 HG LEU 58 -13.700 19.252 -3.900 403 1HD1 LEU 58 1HD1 LEU 58 -11.211 18.690 -5.517 404 2HD1 LEU 58 2HD1 LEU 58 -11.362 20.132 -4.515 405 3HD1 LEU 58 3HD1 LEU 58 -11.436 18.533 -3.776 406 1HD2 LEU 58 1HD2 LEU 58 -14.605 20.005 -6.202 407 2HD2 LEU 58 2HD2 LEU 58 -13.597 21.151 -5.317 408 3HD2 LEU 58 3HD2 LEU 58 -12.913 20.222 -6.650 409 H PHE 59 H PHE 59 -15.641 15.357 -6.442 410 HA PHE 59 HA PHE 59 -15.946 16.123 -9.137 411 1HB PHE 59 1HB PHE 59 -15.767 13.816 -8.323 412 2HB PHE 59 2HB PHE 59 -17.330 13.959 -7.518 413 HD1 PHE 59 HD1 PHE 59 -19.412 14.420 -8.934 414 HD2 PHE 59 HD2 PHE 59 -15.620 13.240 -10.630 415 HE1 PHE 59 HE1 PHE 59 -20.562 13.752 -11.043 416 HE2 PHE 59 HE2 PHE 59 -16.771 12.573 -12.738 417 HZ PHE 59 HZ PHE 59 -19.242 12.828 -12.944 418 H ILE 60 H ILE 60 -18.259 16.301 -6.468 419 HA ILE 60 HA ILE 60 -20.540 16.943 -8.185 420 HB ILE 60 HB ILE 60 -20.088 17.236 -5.197 421 1HG1 ILE 60 1HG1 ILE 60 -21.698 14.983 -6.137 422 2HG1 ILE 60 2HG1 ILE 60 -20.040 14.912 -6.733 423 1HG2 ILE 60 1HG2 ILE 60 -22.514 17.323 -6.982 424 2HG2 ILE 60 2HG2 ILE 60 -22.658 16.829 -5.295 425 3HG2 ILE 60 3HG2 ILE 60 -22.050 18.437 -5.694 426 1HD1 ILE 60 1HD1 ILE 60 -19.638 15.648 -4.127 427 2HD1 ILE 60 2HD1 ILE 60 -21.061 14.616 -3.981 428 3HD1 ILE 60 3HD1 ILE 60 -19.584 13.983 -4.708 429 H ALA 61 H ALA 61 -18.076 18.725 -6.407 430 HA ALA 61 HA ALA 61 -19.381 21.298 -6.420 431 1HB ALA 61 1HB ALA 61 -17.250 20.237 -5.197 432 2HB ALA 61 2HB ALA 61 -16.407 20.997 -6.547 433 3HB ALA 61 3HB ALA 61 -17.385 21.977 -5.456 434 H ALA 62 H ALA 62 -17.677 19.469 -8.849 435 HA ALA 62 HA ALA 62 -17.410 21.885 -10.586 436 1HB ALA 62 1HB ALA 62 -16.266 19.081 -10.606 437 2HB ALA 62 3HB ALA 62 -16.037 20.206 -11.946 438 3HB ALA 62 2HB ALA 62 -15.401 20.595 -10.347 439 H SER 63 H SER 63 -18.246 18.434 -11.104 440 HA SER 63 HA SER 63 -20.063 19.214 -13.309 441 1HB SER 63 1HB SER 63 -18.405 17.337 -13.441 442 2HB SER 63 2HB SER 63 -19.297 16.506 -12.170 443 HG SER 63 HG SER 63 -19.785 16.581 -14.794 444 H LEU 8 H LEU 8 34.666 -28.476 1.711 445 HA LEU 8 HA LEU 8 33.144 -26.689 2.057 446 1HB LEU 8 1HB LEU 8 33.311 -25.066 0.151 447 2HB LEU 8 2HB LEU 8 34.879 -25.704 0.646 448 HG LEU 8 HG LEU 8 33.536 -27.347 -1.388 449 1HD1 LEU 8 1HD1 LEU 8 32.844 -24.986 -2.011 450 2HD1 LEU 8 2HD1 LEU 8 34.557 -24.611 -2.193 451 3HD1 LEU 8 3HD1 LEU 8 33.805 -25.823 -3.231 452 1HD2 LEU 8 1HD2 LEU 8 36.133 -26.795 -0.424 453 2HD2 LEU 8 2HD2 LEU 8 35.696 -27.897 -1.728 454 3HD2 LEU 8 3HD2 LEU 8 36.108 -26.222 -2.092 455 H GLU 9 H GLU 9 31.361 -28.449 2.027 456 HA GLU 9 HA GLU 9 29.500 -27.923 -0.269 457 1HB GLU 9 1HB GLU 9 30.643 -30.205 -0.129 458 2HB GLU 9 2HB GLU 9 29.723 -30.473 1.352 459 1HG GLU 9 1HG GLU 9 27.645 -29.851 -0.056 460 2HG GLU 9 2HG GLU 9 28.685 -30.109 -1.456 461 HA PRO 10 HA PRO 10 27.621 -26.979 3.936 462 1HB PRO 10 1HB PRO 10 27.111 -24.325 3.511 463 2HB PRO 10 2HB PRO 10 28.636 -24.917 4.201 464 1HG PRO 10 2HG PRO 10 28.031 -24.037 1.425 465 2HG PRO 10 1HG PRO 10 29.489 -23.788 2.396 466 1HD PRO 10 1HD PRO 10 29.277 -25.672 0.428 467 2HD PRO 10 2HD PRO 10 30.375 -25.814 1.819 468 H ASP 11 H ASP 11 26.690 -25.359 0.872 469 HA ASP 11 HA ASP 11 24.631 -25.310 -0.277 470 1HB ASP 11 1HB ASP 11 24.966 -27.906 0.940 471 2HB ASP 11 2HB ASP 11 23.257 -27.470 0.948 472 H ASN 12 H ASN 12 23.370 -26.713 2.734 473 HA ASN 12 HA ASN 12 22.108 -24.084 3.401 474 1HB ASN 12 1HB ASN 12 19.972 -25.348 3.742 475 2HB ASN 12 2HB ASN 12 20.526 -25.391 2.067 476 2HD2 ASN 12 2HD2 ASN 12 20.346 -27.332 5.059 477 1HD2 ASN 12 1HD2 ASN 12 20.562 -28.831 4.293 478 H VAL 13 H VAL 13 24.342 -25.717 4.587 479 HA VAL 13 HA VAL 13 23.196 -26.748 7.102 480 HB VAL 13 HB VAL 13 25.816 -26.771 5.654 481 1HG1 VAL 13 1HG1 VAL 13 25.510 -26.951 8.642 482 2HG1 VAL 13 2HG1 VAL 13 26.724 -27.934 7.822 483 3HG1 VAL 13 3HG1 VAL 13 26.786 -26.175 7.702 484 1HG2 VAL 13 1HG2 VAL 13 23.854 -28.530 5.738 485 2HG2 VAL 13 2HG2 VAL 13 25.534 -29.070 5.741 486 3HG2 VAL 13 3HG2 VAL 13 24.626 -29.005 7.252 487 HA PRO 14 HA PRO 14 25.502 -22.985 8.793 488 1HB PRO 14 1HB PRO 14 26.731 -21.243 7.087 489 2HB PRO 14 2HB PRO 14 27.524 -22.706 7.702 490 1HG PRO 14 2HG PRO 14 26.466 -22.134 5.026 491 2HG PRO 14 1HG PRO 14 27.698 -23.297 5.533 492 1HD PRO 14 1HD PRO 14 24.976 -23.822 4.901 493 2HD PRO 14 2HD PRO 14 26.186 -24.954 5.514 494 H MET 15 H MET 15 24.281 -22.061 5.556 495 HA MET 15 HA MET 15 22.455 -20.129 6.919 496 1HB MET 15 1HB MET 15 24.579 -19.633 5.167 497 2HB MET 15 2HB MET 15 23.138 -19.488 4.160 498 1HG MET 15 1HG MET 15 22.754 -17.454 5.039 499 2HG MET 15 2HG MET 15 22.546 -18.203 6.622 500 1HE MET 15 1HE MET 15 23.516 -15.418 5.591 501 2HE MET 15 2HE MET 15 25.182 -14.993 5.973 502 3HE MET 15 3HE MET 15 24.804 -15.837 4.465 503 H ASP 16 H ASP 16 20.921 -19.422 4.721 504 HA ASP 16 HA ASP 16 19.070 -20.161 3.461 505 1HB ASP 16 1HB ASP 16 21.338 -21.369 2.538 506 2HB ASP 16 2HB ASP 16 20.357 -22.781 2.936 507 H MET 17 H MET 17 18.234 -20.378 5.852 508 HA MET 17 HA MET 17 16.671 -22.797 6.038 509 1HB MET 17 1HB MET 17 17.852 -23.650 8.116 510 2HB MET 17 2HB MET 17 18.793 -23.799 6.632 511 1HG MET 17 1HG MET 17 19.899 -21.608 7.196 512 2HG MET 17 2HG MET 17 19.067 -21.650 8.752 513 1HE MET 17 1HE MET 17 19.487 -22.944 10.605 514 2HE MET 17 2HE MET 17 19.103 -24.505 9.885 515 3HE MET 17 3HE MET 17 20.596 -24.308 10.800 516 H SER 18 H SER 18 18.130 -20.064 7.785 517 HA SER 18 HA SER 18 17.199 -18.584 9.374 518 1HB SER 18 1HB SER 18 14.565 -19.533 8.231 519 2HB SER 18 2HB SER 18 14.964 -17.932 8.848 520 HG SER 18 HG SER 18 15.424 -19.059 6.384 521 HA PRO 19 HA PRO 19 15.717 -20.988 12.747 522 1HB PRO 19 1HB PRO 19 14.408 -19.140 14.272 523 2HB PRO 19 2HB PRO 19 16.171 -19.170 14.077 524 1HG PRO 19 1HG PRO 19 14.202 -17.321 12.953 525 2HG PRO 19 2HG PRO 19 15.933 -17.101 13.214 526 1HD PRO 19 1HD PRO 19 14.598 -17.694 10.766 527 2HD PRO 19 2HD PRO 19 16.346 -17.552 11.047 528 H LYS 20 H LYS 20 13.687 -20.446 10.387 529 HA LYS 20 HA LYS 20 11.529 -21.234 9.865 530 1HB LYS 20 1HB LYS 20 12.549 -23.062 11.418 531 2HB LYS 20 2HB LYS 20 11.451 -22.414 12.636 532 1HG LYS 20 1HG LYS 20 10.423 -23.102 9.894 533 2HG LYS 20 2HG LYS 20 10.622 -24.367 11.110 534 1HD LYS 20 1HD LYS 20 9.348 -22.120 12.348 535 2HD LYS 20 2HD LYS 20 8.480 -22.501 10.861 536 1HE LYS 20 1HE LYS 20 8.812 -25.010 11.799 537 2HE LYS 20 2HE LYS 20 8.778 -24.128 13.339 538 1HZ LYS 20 1HZ LYS 20 6.777 -22.982 12.588 539 2HZ LYS 20 2HZ LYS 20 6.792 -23.865 11.141 540 3HZ LYS 20 3HZ LYS 20 6.533 -24.663 12.619 541 H ALA 21 H ALA 21 11.266 -20.643 13.399 542 HA ALA 21 HA ALA 21 8.689 -19.628 13.516 543 1HB ALA 21 1HB ALA 21 11.204 -19.385 15.024 544 2HB ALA 21 3HB ALA 21 9.574 -19.717 15.609 545 3HB ALA 21 2HB ALA 21 10.080 -18.055 15.305 546 H LEU 22 H LEU 22 11.636 -17.717 12.839 547 HA LEU 22 HA LEU 22 10.109 -15.257 12.370 548 1HB LEU 22 1HB LEU 22 12.980 -16.168 12.093 549 2HB LEU 22 2HB LEU 22 12.475 -14.557 11.584 550 HG LEU 22 HG LEU 22 11.484 -14.250 13.901 551 1HD1 LEU 22 1HD1 LEU 22 12.768 -16.941 14.161 552 2HD1 LEU 22 2HD1 LEU 22 12.801 -15.860 15.554 553 3HD1 LEU 22 3HD1 LEU 22 11.259 -16.351 14.853 554 1HD2 LEU 22 1HD2 LEU 22 13.742 -13.381 13.138 555 2HD2 LEU 22 2HD2 LEU 22 13.604 -13.638 14.877 556 3HD2 LEU 22 3HD2 LEU 22 14.464 -14.810 13.878 557 H GLN 23 H GLN 23 11.918 -17.601 10.403 558 HA GLN 23 HA GLN 23 11.657 -16.458 7.850 559 1HB GLN 23 1HB GLN 23 12.935 -18.498 8.500 560 2HB GLN 23 2HB GLN 23 11.413 -19.377 8.644 561 1HG GLN 23 1HG GLN 23 11.045 -18.447 6.179 562 2HG GLN 23 2HG GLN 23 12.808 -18.396 6.188 563 2HE2 GLN 23 2HE2 GLN 23 12.166 -20.197 4.427 564 1HE2 GLN 23 1HE2 GLN 23 12.139 -21.788 5.019 565 H GLN 24 H GLN 24 9.282 -18.388 9.668 566 HA GLN 24 HA GLN 24 7.348 -18.460 7.483 567 1HB GLN 24 1HB GLN 24 7.826 -19.749 9.920 568 2HB GLN 24 2HB GLN 24 6.320 -18.867 10.181 569 1HG GLN 24 1HG GLN 24 6.441 -20.187 7.563 570 2HG GLN 24 2HG GLN 24 6.530 -21.317 8.915 571 2HE2 GLN 24 2HE2 GLN 24 4.402 -19.249 7.117 572 1HE2 GLN 24 1HE2 GLN 24 3.023 -19.477 8.081 573 H LYS 25 H LYS 25 7.715 -16.570 10.491 574 HA LYS 25 HA LYS 25 5.258 -15.069 10.143 575 1HB LYS 25 1HB LYS 25 7.775 -14.811 11.796 576 2HB LYS 25 2HB LYS 25 6.484 -13.613 11.895 577 1HG LYS 25 1HG LYS 25 4.939 -15.161 12.753 578 2HG LYS 25 2HG LYS 25 5.864 -16.547 12.173 579 1HD LYS 25 2HD LYS 25 6.695 -16.678 14.273 580 2HD LYS 25 1HD LYS 25 7.655 -15.259 13.851 581 1HE LYS 25 1HE LYS 25 6.395 -13.877 15.162 582 2HE LYS 25 2HE LYS 25 4.875 -14.655 14.673 583 1HZ LYS 25 1HZ LYS 25 6.893 -15.852 16.498 584 2HZ LYS 25 2HZ LYS 25 5.442 -15.131 17.002 585 3HZ LYS 25 3HZ LYS 25 5.406 -16.543 16.055 586 H ILE 26 H ILE 26 8.685 -14.437 9.376 587 HA ILE 26 HA ILE 26 8.330 -11.725 8.492 588 HB ILE 26 HB ILE 26 10.359 -13.879 7.812 589 1HG1 ILE 26 1HG1 ILE 26 10.619 -11.566 9.745 590 2HG1 ILE 26 2HG1 ILE 26 10.018 -13.146 10.248 591 1HG2 ILE 26 1HG2 ILE 26 10.050 -11.076 6.949 592 2HG2 ILE 26 2HG2 ILE 26 11.643 -11.461 7.603 593 3HG2 ILE 26 3HG2 ILE 26 11.007 -12.374 6.234 594 1HD1 ILE 26 1HD1 ILE 26 12.659 -12.753 8.820 595 2HD1 ILE 26 2HD1 ILE 26 12.507 -12.813 10.576 596 3HD1 ILE 26 3HD1 ILE 26 12.074 -14.220 9.604 597 H HIS 27 H HIS 27 8.344 -14.840 6.738 598 HA HIS 27 HA HIS 27 7.902 -13.599 4.136 599 1HB HIS 27 1HB HIS 27 8.859 -15.969 5.038 600 2HB HIS 27 2HB HIS 27 7.207 -16.444 4.649 601 HD1 HIS 27 HD1 HIS 27 6.509 -16.440 2.172 602 HD2 HIS 27 HD2 HIS 27 10.412 -15.107 2.779 603 HE1 HIS 27 HE1 HIS 27 7.589 -16.322 -0.116 604 H GLU 28 H GLU 28 5.865 -14.599 6.772 605 HA GLU 28 HA GLU 28 3.439 -14.956 5.181 606 1HB GLU 28 1HB GLU 28 4.265 -14.887 8.057 607 2HB GLU 28 2HB GLU 28 2.552 -14.690 7.684 608 1HG GLU 28 1HG GLU 28 4.139 -16.924 6.435 609 2HG GLU 28 2HG GLU 28 3.467 -17.102 8.055 610 H LEU 29 H LEU 29 4.514 -12.464 7.534 611 HA LEU 29 HA LEU 29 2.342 -10.660 7.060 612 1HB LEU 29 1HB LEU 29 5.154 -10.444 8.140 613 2HB LEU 29 2HB LEU 29 4.098 -9.032 8.056 614 HG LEU 29 HG LEU 29 3.137 -11.590 9.326 615 1HD1 LEU 29 1HD1 LEU 29 4.880 -9.432 10.528 616 2HD1 LEU 29 2HD1 LEU 29 3.826 -10.440 11.519 617 3HD1 LEU 29 3HD1 LEU 29 5.120 -11.178 10.575 618 1HD2 LEU 29 1HD2 LEU 29 2.058 -9.015 8.806 619 2HD2 LEU 29 2HD2 LEU 29 1.315 -10.324 9.725 620 3HD2 LEU 29 3HD2 LEU 29 2.303 -9.118 10.549 621 H GLU 30 H GLU 30 5.375 -11.205 5.364 622 HA GLU 30 HA GLU 30 5.528 -8.735 3.921 623 1HB GLU 30 1HB GLU 30 7.286 -10.524 4.212 624 2HB GLU 30 2HB GLU 30 6.390 -11.511 3.056 625 1HG GLU 30 1HG GLU 30 6.600 -9.047 1.783 626 2HG GLU 30 2HG GLU 30 8.166 -9.243 2.569 627 H GLY 31 H GLY 31 3.785 -11.763 3.293 628 1HA GLY 31 2HA GLY 31 2.329 -12.345 1.525 629 2HA GLY 31 1HA GLY 31 2.934 -10.953 0.626 630 H LEU 32 H LEU 32 1.776 -10.472 3.869 631 HA LEU 32 HA LEU 32 -0.994 -9.956 3.278 632 1HB LEU 32 1HB LEU 32 0.290 -10.384 5.502 633 2HB LEU 32 2HB LEU 32 0.619 -8.652 5.469 634 HG LEU 32 HG LEU 32 -1.878 -8.294 5.182 635 1HD1 LEU 32 1HD1 LEU 32 -1.854 -11.055 4.786 636 2HD1 LEU 32 2HD1 LEU 32 -2.534 -10.862 6.403 637 3HD1 LEU 32 3HD1 LEU 32 -3.286 -10.054 5.027 638 1HD2 LEU 32 1HD2 LEU 32 -0.416 -9.214 7.567 639 2HD2 LEU 32 2HD2 LEU 32 -1.445 -7.797 7.358 640 3HD2 LEU 32 3HD2 LEU 32 -2.168 -9.368 7.704 641 H MET 33 H MET 33 1.928 -8.000 3.067 642 HA MET 33 HA MET 33 0.760 -5.400 2.987 643 1HB MET 33 1HB MET 33 3.244 -6.725 1.925 644 2HB MET 33 2HB MET 33 2.914 -5.039 1.524 645 1HG MET 33 1HG MET 33 3.339 -4.322 3.642 646 2HG MET 33 2HG MET 33 2.546 -5.717 4.374 647 1HE MET 33 1HE MET 33 5.305 -4.890 1.933 648 2HE MET 33 2HE MET 33 5.976 -4.107 3.372 649 3HE MET 33 3HE MET 33 6.790 -5.499 2.661 650 H MET 34 H MET 34 1.943 -7.261 0.157 651 HA MET 34 HA MET 34 0.622 -5.678 -1.806 652 1HB MET 34 1HB MET 34 2.501 -7.277 -2.155 653 2HB MET 34 2HB MET 34 1.391 -8.615 -1.854 654 1HG MET 34 2HG MET 34 1.478 -8.407 -4.223 655 2HG MET 34 1HG MET 34 -0.041 -7.646 -3.750 656 1HE MET 34 1HE MET 34 3.584 -7.307 -4.206 657 2HE MET 34 2HE MET 34 3.897 -5.749 -4.983 658 3HE MET 34 3HE MET 34 3.635 -5.832 -3.242 659 H GLN 35 H GLN 35 -0.493 -8.436 0.102 660 HA GLN 35 HA GLN 35 -2.776 -9.221 -1.354 661 1HB GLN 35 1HB GLN 35 -1.914 -10.396 0.598 662 2HB GLN 35 2HB GLN 35 -2.254 -9.006 1.628 663 1HG GLN 35 2HG GLN 35 -4.280 -9.908 2.026 664 2HG GLN 35 1HG GLN 35 -4.687 -9.561 0.345 665 2HE2 GLN 35 2HE2 GLN 35 -3.012 -12.081 2.313 666 1HE2 GLN 35 1HE2 GLN 35 -3.500 -13.379 1.333 667 H HIS 36 H HIS 36 -3.157 -7.292 1.618 668 HA HIS 36 HA HIS 36 -5.675 -6.192 0.890 669 1HB HIS 36 1HB HIS 36 -3.481 -5.577 2.844 670 2HB HIS 36 2HB HIS 36 -4.833 -4.452 2.697 671 HD1 HIS 36 HD1 HIS 36 -4.477 -6.090 5.294 672 HD2 HIS 36 HD2 HIS 36 -6.844 -7.324 2.092 673 HE1 HIS 36 HE1 HIS 36 -6.159 -7.730 6.237 674 H ALA 37 H ALA 37 -2.387 -4.805 0.582 675 HA ALA 37 HA ALA 37 -2.958 -2.232 -0.355 676 1HB ALA 37 1HB ALA 37 -0.718 -3.131 0.097 677 2HB ALA 37 3HB ALA 37 -0.860 -4.229 -1.277 678 3HB ALA 37 2HB ALA 37 -0.776 -2.487 -1.545 679 H GLN 38 H GLN 38 -2.989 -5.299 -2.182 680 HA GLN 38 HA GLN 38 -3.400 -4.235 -4.794 681 1HB GLN 38 1HB GLN 38 -3.669 -6.773 -3.333 682 2HB GLN 38 2HB GLN 38 -4.794 -6.629 -4.684 683 1HG GLN 38 1HG GLN 38 -2.281 -5.639 -5.576 684 2HG GLN 38 2HG GLN 38 -1.978 -7.175 -4.763 685 2HE2 GLN 38 2HE2 GLN 38 -1.683 -8.489 -6.642 686 1HE2 GLN 38 1HE2 GLN 38 -2.910 -8.756 -7.785 687 H ASN 39 H ASN 39 -5.643 -4.915 -2.138 688 HA ASN 39 HA ASN 39 -7.983 -4.110 -3.770 689 1HB ASN 39 1HB ASN 39 -7.406 -5.416 -1.151 690 2HB ASN 39 2HB ASN 39 -8.925 -4.526 -1.274 691 2HD2 ASN 39 2HD2 ASN 39 -7.021 -7.025 -3.044 692 1HD2 ASN 39 1HD2 ASN 39 -8.381 -7.843 -3.648 693 H LEU 40 H LEU 40 -5.649 -2.299 -2.693 694 HA LEU 40 HA LEU 40 -5.442 -0.113 -1.875 695 1HB LEU 40 1HB LEU 40 -8.309 -0.282 -2.828 696 2HB LEU 40 2HB LEU 40 -7.595 1.231 -2.270 697 HG LEU 40 HG LEU 40 -5.700 0.757 -3.942 698 1HD1 LEU 40 1HD1 LEU 40 -7.738 -1.330 -4.686 699 2HD1 LEU 40 2HD1 LEU 40 -6.689 -0.632 -5.920 700 3HD1 LEU 40 3HD1 LEU 40 -5.988 -1.492 -4.549 701 1HD2 LEU 40 1HD2 LEU 40 -7.956 2.228 -4.146 702 2HD2 LEU 40 2HD2 LEU 40 -6.777 2.112 -5.453 703 3HD2 LEU 40 3HD2 LEU 40 -8.225 1.106 -5.479 704 H GLU 41 H GLU 41 -6.425 -2.358 -0.032 705 HA GLU 41 HA GLU 41 -8.249 -1.214 1.887 706 1HB GLU 41 1HB GLU 41 -6.225 -3.438 1.792 707 2HB GLU 41 2HB GLU 41 -6.976 -3.018 3.332 708 1HG GLU 41 1HG GLU 41 -8.772 -3.344 0.970 709 2HG GLU 41 2HG GLU 41 -8.082 -4.805 1.678 710 H PHE 42 H PHE 42 -4.706 -1.385 1.679 711 HA PHE 42 HA PHE 42 -3.028 -0.224 2.861 712 1HB PHE 42 1HB PHE 42 -5.274 1.680 2.272 713 2HB PHE 42 2HB PHE 42 -3.884 2.256 3.192 714 HD1 PHE 42 HD1 PHE 42 -1.628 0.784 2.013 715 HD2 PHE 42 HD2 PHE 42 -5.065 2.570 0.101 716 HE1 PHE 42 HE1 PHE 42 -0.329 1.026 -0.100 717 HE2 PHE 42 HE2 PHE 42 -3.763 2.812 -2.011 718 HZ PHE 42 HZ PHE 42 -1.393 2.041 -2.106 719 H GLU 43 H GLU 43 -2.852 1.446 4.834 720 HA GLU 43 HA GLU 43 -3.002 1.806 7.138 721 1HB GLU 43 1HB GLU 43 -5.355 2.308 6.676 722 2HB GLU 43 2HB GLU 43 -5.749 0.592 6.654 723 1HG GLU 43 1HG GLU 43 -4.851 0.471 9.026 724 2HG GLU 43 2HG GLU 43 -4.827 2.235 9.013 725 H GLU 44 H GLU 44 -4.717 -1.215 6.493 726 HA GLU 44 HA GLU 44 -3.273 -2.611 8.638 727 1HB GLU 44 1HB GLU 44 -4.779 -4.441 8.032 728 2HB GLU 44 2HB GLU 44 -5.695 -2.936 8.093 729 1HG GLU 44 1HG GLU 44 -5.577 -2.723 5.659 730 2HG GLU 44 2HG GLU 44 -4.562 -4.162 5.559 731 H ALA 45 H ALA 45 -3.246 -2.454 5.097 732 HA ALA 45 HA ALA 45 -1.409 -4.714 4.793 733 1HB ALA 45 1HB ALA 45 -3.244 -3.471 3.241 734 2HB ALA 45 2HB ALA 45 -1.929 -4.440 2.577 735 3HB ALA 45 3HB ALA 45 -1.779 -2.685 2.656 736 H ALA 46 H ALA 46 -1.118 -1.153 4.564 737 HA ALA 46 HA ALA 46 1.718 -1.270 3.908 738 1HB ALA 46 1HB ALA 46 1.517 1.142 3.971 739 2HB ALA 46 3HB ALA 46 0.061 0.486 3.223 740 3HB ALA 46 2HB ALA 46 0.022 1.034 4.901 741 H GLN 47 H GLN 47 -0.125 -1.044 6.908 742 HA GLN 47 HA GLN 47 1.964 0.020 8.569 743 1HB GLN 47 1HB GLN 47 -0.569 -1.533 8.902 744 2HB GLN 47 2HB GLN 47 0.526 -1.435 10.281 745 1HG GLN 47 1HG GLN 47 -0.283 1.032 8.744 746 2HG GLN 47 2HG GLN 47 -1.264 0.412 10.072 747 2HE2 GLN 47 2HE2 GLN 47 -0.047 0.112 12.217 748 1HE2 GLN 47 1HE2 GLN 47 1.199 1.207 12.577 749 H ILE 48 H ILE 48 1.218 -3.252 7.441 750 HA ILE 48 HA ILE 48 2.787 -4.822 9.169 751 HB ILE 48 HB ILE 48 2.337 -4.990 6.170 752 1HG1 ILE 48 2HG1 ILE 48 0.276 -4.951 7.526 753 2HG1 ILE 48 1HG1 ILE 48 0.530 -6.552 6.829 754 1HG2 ILE 48 1HG2 ILE 48 3.837 -6.688 8.040 755 2HG2 ILE 48 2HG2 ILE 48 2.600 -7.565 7.138 756 3HG2 ILE 48 3HG2 ILE 48 3.854 -6.672 6.277 757 1HD1 ILE 48 1HD1 ILE 48 1.916 -6.669 9.235 758 2HD1 ILE 48 2HD1 ILE 48 0.472 -5.740 9.638 759 3HD1 ILE 48 3HD1 ILE 48 0.318 -7.350 8.934 760 H ARG 49 H ARG 49 3.779 -2.627 6.617 761 HA ARG 49 HA ARG 49 6.431 -3.463 6.129 762 1HB ARG 49 1HB ARG 49 5.434 -1.747 4.810 763 2HB ARG 49 2HB ARG 49 5.001 -0.799 6.227 764 1HG ARG 49 1HG ARG 49 7.850 -1.187 6.211 765 2HG ARG 49 2HG ARG 49 7.344 -0.577 4.636 766 1HD ARG 49 1HD ARG 49 7.832 1.268 6.266 767 2HD ARG 49 2HD ARG 49 6.144 1.286 5.717 768 HE ARG 49 HE ARG 49 5.556 0.087 7.840 769 1HH1 ARG 49 1HH1 ARG 49 8.829 0.017 7.961 770 2HH1 ARG 49 2HH1 ARG 49 9.007 0.847 9.472 771 1HH2 ARG 49 1HH2 ARG 49 5.690 1.847 9.616 772 2HH2 ARG 49 2HH2 ARG 49 7.230 1.882 10.409 773 H ASP 50 H ASP 50 5.019 -1.853 8.914 774 HA ASP 50 HA ASP 50 7.565 -1.042 10.099 775 1HB ASP 50 1HB ASP 50 5.094 -0.169 10.380 776 2HB ASP 50 2HB ASP 50 4.986 -1.445 11.594 777 H GLN 51 H GLN 51 5.374 -3.815 10.362 778 HA GLN 51 HA GLN 51 6.810 -5.005 12.621 779 1HB GLN 51 1HB GLN 51 4.773 -6.118 10.663 780 2HB GLN 51 2HB GLN 51 5.218 -6.843 12.208 781 1HG GLN 51 1HG GLN 51 4.379 -4.891 13.410 782 2HG GLN 51 2HG GLN 51 4.025 -4.074 11.888 783 2HE2 GLN 51 2HE2 GLN 51 3.440 -7.533 12.607 784 1HE2 GLN 51 1HE2 GLN 51 1.753 -7.444 12.447 785 H LEU 52 H LEU 52 6.651 -5.518 9.097 786 HA LEU 52 HA LEU 52 8.312 -7.847 8.985 787 1HB LEU 52 1HB LEU 52 6.836 -6.272 7.268 788 2HB LEU 52 2HB LEU 52 8.488 -5.930 6.754 789 HG LEU 52 HG LEU 52 7.573 -7.864 5.528 790 1HD1 LEU 52 1HD1 LEU 52 10.027 -7.686 6.742 791 2HD1 LEU 52 2HD1 LEU 52 9.461 -9.253 7.321 792 3HD1 LEU 52 3HD1 LEU 52 9.575 -8.942 5.589 793 1HD2 LEU 52 1HD2 LEU 52 6.260 -8.452 7.841 794 2HD2 LEU 52 2HD2 LEU 52 6.521 -9.622 6.547 795 3HD2 LEU 52 3HD2 LEU 52 7.603 -9.592 7.939 796 H HIS 53 H HIS 53 9.093 -4.367 8.710 797 HA HIS 53 HA HIS 53 11.911 -4.718 8.257 798 1HB HIS 53 1HB HIS 53 10.600 -2.676 7.767 799 2HB HIS 53 2HB HIS 53 10.327 -2.440 9.493 800 HD1 HIS 53 HD1 HIS 53 12.410 -1.785 10.956 801 HD2 HIS 53 HD2 HIS 53 13.166 -1.920 6.859 802 HE1 HIS 53 HE1 HIS 53 14.638 -0.634 10.600 803 H GLN 54 H GLN 54 9.975 -4.252 11.216 804 HA GLN 54 HA GLN 54 12.203 -4.062 13.030 805 1HB GLN 54 1HB GLN 54 9.272 -4.348 13.065 806 2HB GLN 54 2HB GLN 54 10.070 -5.068 14.464 807 1HG GLN 54 1HG GLN 54 11.429 -2.783 14.433 808 2HG GLN 54 2HG GLN 54 9.989 -2.207 13.592 809 2HE2 GLN 54 2HE2 GLN 54 8.125 -4.009 15.008 810 1HE2 GLN 54 1HE2 GLN 54 8.010 -3.430 16.600 811 H LEU 55 H LEU 55 10.179 -6.800 11.954 812 HA LEU 55 HA LEU 55 11.417 -8.775 13.650 813 1HB LEU 55 1HB LEU 55 9.619 -8.646 11.274 814 2HB LEU 55 2HB LEU 55 10.407 -10.192 11.591 815 HG LEU 55 HG LEU 55 9.258 -8.872 13.973 816 1HD1 LEU 55 1HD1 LEU 55 7.693 -8.773 11.703 817 2HD1 LEU 55 2HD1 LEU 55 7.204 -10.303 12.431 818 3HD1 LEU 55 3HD1 LEU 55 7.076 -8.806 13.355 819 1HD2 LEU 55 1HD2 LEU 55 10.295 -11.234 13.681 820 2HD2 LEU 55 2HD2 LEU 55 8.793 -11.106 14.595 821 3HD2 LEU 55 3HD2 LEU 55 8.761 -11.657 12.921 822 H ARG 56 H ARG 56 12.345 -7.294 10.634 823 HA ARG 56 HA ARG 56 14.001 -9.275 9.479 824 1HB ARG 56 1HB ARG 56 13.368 -7.122 8.455 825 2HB ARG 56 2HB ARG 56 14.344 -6.263 9.647 826 1HG ARG 56 1HG ARG 56 16.239 -7.909 8.748 827 2HG ARG 56 2HG ARG 56 15.219 -7.906 7.309 828 1HD ARG 56 1HD ARG 56 15.491 -5.589 6.965 829 2HD ARG 56 2HD ARG 56 15.997 -5.309 8.644 830 HE ARG 56 HE ARG 56 17.767 -7.157 7.265 831 1HH1 ARG 56 1HH1 ARG 56 18.007 -4.594 9.189 832 2HH1 ARG 56 2HH1 ARG 56 19.132 -3.678 8.242 833 1HH2 ARG 56 1HH2 ARG 56 18.774 -5.659 5.419 834 2HH2 ARG 56 2HH2 ARG 56 19.566 -4.281 6.107 835 H GLU 57 H GLU 57 14.924 -6.707 11.808 836 HA GLU 57 HA GLU 57 17.641 -7.507 12.135 837 1HB GLU 57 1HB GLU 57 16.596 -5.353 12.829 838 2HB GLU 57 2HB GLU 57 15.731 -6.208 14.106 839 1HG GLU 57 1HG GLU 57 17.553 -5.612 15.353 840 2HG GLU 57 2HG GLU 57 18.255 -7.050 14.613 841 H LEU 58 H LEU 58 14.665 -8.583 13.743 842 HA LEU 58 HA LEU 58 15.766 -10.049 15.897 843 1HB LEU 58 1HB LEU 58 13.284 -9.713 14.514 844 2HB LEU 58 2HB LEU 58 13.537 -11.441 14.762 845 HG LEU 58 HG LEU 58 13.934 -9.439 16.989 846 1HD1 LEU 58 1HD1 LEU 58 11.413 -10.818 16.051 847 2HD1 LEU 58 2HD1 LEU 58 11.613 -10.277 17.718 848 3HD1 LEU 58 3HD1 LEU 58 11.654 -9.107 16.400 849 1HD2 LEU 58 1HD2 LEU 58 14.832 -11.864 17.019 850 2HD2 LEU 58 2HD2 LEU 58 13.865 -11.345 18.399 851 3HD2 LEU 58 3HD2 LEU 58 13.142 -12.351 17.143 852 H PHE 59 H PHE 59 15.745 -10.753 12.471 853 HA PHE 59 HA PHE 59 16.040 -13.554 12.417 854 1HB PHE 59 1HB PHE 59 15.810 -12.107 10.449 855 2HB PHE 59 2HB PHE 59 17.385 -11.383 10.776 856 HD1 PHE 59 HD1 PHE 59 19.462 -12.879 10.750 857 HD2 PHE 59 HD2 PHE 59 15.622 -14.148 9.236 858 HE1 PHE 59 HE1 PHE 59 20.571 -14.707 9.468 859 HE2 PHE 59 HE2 PHE 59 16.731 -15.977 7.955 860 HZ PHE 59 HZ PHE 59 19.207 -16.256 8.071 861 H ILE 60 H ILE 60 18.386 -11.058 13.294 862 HA ILE 60 HA ILE 60 20.663 -12.896 13.348 863 HB ILE 60 HB ILE 60 20.253 -10.119 14.505 864 1HG1 ILE 60 1HG1 ILE 60 21.794 -10.370 12.033 865 2HG1 ILE 60 2HG1 ILE 60 20.128 -10.916 11.838 866 1HG2 ILE 60 1HG2 ILE 60 22.660 -11.860 14.005 867 2HG2 ILE 60 2HG2 ILE 60 22.810 -10.103 14.016 868 3HG2 ILE 60 3HG2 ILE 60 22.240 -10.948 15.455 869 1HD1 ILE 60 1HD1 ILE 60 19.773 -8.633 13.308 870 2HD1 ILE 60 2HD1 ILE 60 21.170 -8.199 12.323 871 3HD1 ILE 60 3HD1 ILE 60 19.670 -8.707 11.549 872 H ALA 61 H ALA 61 18.266 -11.700 15.636 873 HA ALA 61 HA ALA 61 19.636 -12.462 18.057 874 1HB ALA 61 1HB ALA 61 17.493 -10.979 17.456 875 2HB ALA 61 3HB ALA 61 16.656 -12.488 17.817 876 3HB ALA 61 2HB ALA 61 17.671 -11.728 19.042 877 H ALA 62 H ALA 62 17.859 -14.251 15.653 878 HA ALA 62 HA ALA 62 17.636 -16.614 17.469 879 1HB ALA 62 1HB ALA 62 16.419 -15.815 14.814 880 2HB ALA 62 2HB ALA 62 16.205 -17.423 15.507 881 3HB ALA 62 3HB ALA 62 15.596 -16.006 16.361 882 H SER 63 H SER 63 18.375 -16.112 13.994 883 HA SER 63 HA SER 63 20.186 -18.454 14.051 884 1HB SER 63 1HB SER 63 18.481 -18.032 12.263 885 2HB SER 63 2HB SER 63 19.365 -16.577 11.811 886 HG SER 63 HG SER 63 19.826 -19.114 11.111 No H/Q in entry = 886 Start of MODEL 16 1 H LEU 8 H LEU 8 -29.114 -1.700 -19.558 2 HA LEU 8 HA LEU 8 -28.456 -1.114 -21.803 3 1HB LEU 8 1HB LEU 8 -30.103 -3.026 -22.366 4 2HB LEU 8 2HB LEU 8 -31.303 -1.753 -22.588 5 HG LEU 8 HG LEU 8 -29.414 -0.668 -24.088 6 1HD1 LEU 8 1HD1 LEU 8 -27.868 -2.626 -23.373 7 2HD1 LEU 8 2HD1 LEU 8 -28.799 -3.588 -24.520 8 3HD1 LEU 8 3HD1 LEU 8 -27.898 -2.180 -25.079 9 1HD2 LEU 8 1HD2 LEU 8 -31.734 -1.665 -24.699 10 2HD2 LEU 8 2HD2 LEU 8 -30.533 -1.533 -25.983 11 3HD2 LEU 8 3HD2 LEU 8 -30.827 -3.089 -25.208 12 H GLU 9 H GLU 9 -28.839 0.888 -20.157 13 HA GLU 9 HA GLU 9 -30.302 2.906 -21.736 14 1HB GLU 9 1HB GLU 9 -31.816 1.612 -20.019 15 2HB GLU 9 2HB GLU 9 -31.000 2.619 -18.822 16 1HG GLU 9 1HG GLU 9 -31.631 4.632 -20.216 17 2HG GLU 9 2HG GLU 9 -32.625 3.556 -21.200 18 HA PRO 10 HA PRO 10 -26.511 4.333 -19.443 19 1HB PRO 10 1HB PRO 10 -25.229 5.387 -21.619 20 2HB PRO 10 2HB PRO 10 -25.064 3.689 -21.130 21 1HG PRO 10 2HG PRO 10 -26.729 4.884 -23.285 22 2HG PRO 10 1HG PRO 10 -25.825 3.361 -23.269 23 1HD PRO 10 1HD PRO 10 -28.528 3.523 -22.912 24 2HD PRO 10 2HD PRO 10 -27.522 2.215 -22.251 25 H ASP 11 H ASP 11 -28.007 6.002 -22.240 26 HA ASP 11 HA ASP 11 -28.865 8.189 -22.450 27 1HB ASP 11 1HB ASP 11 -29.399 7.214 -19.778 28 2HB ASP 11 2HB ASP 11 -29.146 8.959 -19.743 29 H ASN 12 H ASN 12 -27.262 8.718 -19.327 30 HA ASN 12 HA ASN 12 -25.158 10.331 -20.718 31 1HB ASN 12 1HB ASN 12 -25.592 12.104 -19.001 32 2HB ASN 12 2HB ASN 12 -26.984 11.814 -20.045 33 2HD2 ASN 12 2HD2 ASN 12 -25.818 11.625 -16.753 34 1HD2 ASN 12 1HD2 ASN 12 -27.258 11.045 -16.067 35 H VAL 13 H VAL 13 -25.390 7.679 -19.094 36 HA VAL 13 HA VAL 13 -23.855 8.214 -16.668 37 HB VAL 13 HB VAL 13 -25.062 5.891 -18.112 38 1HG1 VAL 13 1HG1 VAL 13 -22.718 5.683 -16.232 39 2HG1 VAL 13 2HG1 VAL 13 -23.957 4.429 -16.245 40 3HG1 VAL 13 3HG1 VAL 13 -23.035 4.772 -17.709 41 1HG2 VAL 13 1HG2 VAL 13 -26.152 7.289 -16.296 42 2HG2 VAL 13 2HG2 VAL 13 -26.143 5.549 -16.007 43 3HG2 VAL 13 3HG2 VAL 13 -24.988 6.587 -15.173 44 HA PRO 14 HA PRO 14 -20.284 6.474 -19.244 45 1HB PRO 14 1HB PRO 14 -20.662 5.876 -21.879 46 2HB PRO 14 2HB PRO 14 -21.011 4.722 -20.578 47 1HG PRO 14 2HG PRO 14 -22.859 6.283 -22.252 48 2HG PRO 14 1HG PRO 14 -23.110 4.744 -21.417 49 1HD PRO 14 1HD PRO 14 -24.003 7.291 -20.587 50 2HD PRO 14 2HD PRO 14 -24.053 5.782 -19.666 51 H MET 15 H MET 15 -22.433 8.302 -21.426 52 HA MET 15 HA MET 15 -20.402 9.799 -22.750 53 1HB MET 15 1HB MET 15 -22.966 9.396 -23.178 54 2HB MET 15 2HB MET 15 -23.162 10.851 -22.200 55 1HG MET 15 1HG MET 15 -22.377 12.199 -23.846 56 2HG MET 15 2HG MET 15 -21.067 11.090 -24.247 57 1HE MET 15 1HE MET 15 -24.734 11.924 -24.421 58 2HE MET 15 2HE MET 15 -25.428 10.867 -25.658 59 3HE MET 15 3HE MET 15 -24.954 10.206 -24.095 60 H ASP 16 H ASP 16 -19.169 11.475 -21.985 61 HA ASP 16 HA ASP 16 -18.382 13.160 -20.525 62 1HB ASP 16 1HB ASP 16 -20.757 13.852 -21.541 63 2HB ASP 16 2HB ASP 16 -21.232 13.762 -19.844 64 H MET 17 H MET 17 -18.583 10.564 -19.322 65 HA MET 17 HA MET 17 -20.004 10.432 -16.875 66 1HB MET 17 2HB MET 17 -18.272 8.759 -16.305 67 2HB MET 17 1HB MET 17 -18.780 8.584 -17.985 68 1HG MET 17 1HG MET 17 -16.805 10.191 -18.515 69 2HG MET 17 2HG MET 17 -16.226 9.760 -16.906 70 1HE MET 17 1HE MET 17 -16.318 7.485 -16.038 71 2HE MET 17 2HE MET 17 -17.456 6.486 -16.937 72 3HE MET 17 3HE MET 17 -15.740 6.061 -16.899 73 H SER 18 H SER 18 -17.188 12.292 -17.757 74 HA SER 18 HA SER 18 -17.190 13.571 -15.083 75 1HB SER 18 1HB SER 18 -14.819 12.136 -16.320 76 2HB SER 18 2HB SER 18 -14.733 13.142 -14.876 77 HG SER 18 HG SER 18 -15.004 10.955 -14.329 78 HA PRO 19 HA PRO 19 -15.904 16.976 -17.568 79 1HB PRO 19 1HB PRO 19 -14.563 18.525 -15.764 80 2HB PRO 19 2HB PRO 19 -16.320 18.285 -15.717 81 1HG PRO 19 2HG PRO 19 -14.237 17.199 -13.962 82 2HG PRO 19 1HG PRO 19 -15.963 17.429 -13.660 83 1HD PRO 19 1HD PRO 19 -14.618 15.005 -14.321 84 2HD PRO 19 2HD PRO 19 -16.363 15.256 -14.105 85 H LYS 20 H LYS 20 -13.842 14.647 -17.247 86 HA LYS 20 HA LYS 20 -11.702 14.212 -18.137 87 1HB LYS 20 1HB LYS 20 -12.695 15.958 -19.785 88 2HB LYS 20 2HB LYS 20 -11.636 17.112 -18.974 89 1HG LYS 20 1HG LYS 20 -10.613 14.489 -20.074 90 2HG LYS 20 2HG LYS 20 -10.668 15.961 -21.047 91 1HD LYS 20 1HD LYS 20 -9.479 16.944 -18.831 92 2HD LYS 20 2HD LYS 20 -8.910 15.275 -18.749 93 1HE LYS 20 1HE LYS 20 -8.695 16.163 -21.472 94 2HE LYS 20 2HE LYS 20 -7.910 17.355 -20.417 95 1HZ LYS 20 1HZ LYS 20 -6.854 15.460 -19.244 96 2HZ LYS 20 2HZ LYS 20 -7.466 14.418 -20.438 97 3HZ LYS 20 3HZ LYS 20 -6.345 15.620 -20.857 98 H ALA 21 H ALA 21 -11.469 17.643 -17.094 99 HA ALA 21 HA ALA 21 -8.892 17.616 -16.035 100 1HB ALA 21 1HB ALA 21 -10.143 19.645 -16.199 101 2HB ALA 21 3HB ALA 21 -11.443 19.008 -15.191 102 3HB ALA 21 2HB ALA 21 -9.881 19.402 -14.471 103 H LEU 22 H LEU 22 -11.895 16.899 -14.212 104 HA LEU 22 HA LEU 22 -10.529 16.111 -11.792 105 1HB LEU 22 1HB LEU 22 -12.785 16.824 -11.626 106 2HB LEU 22 2HB LEU 22 -13.291 15.825 -12.984 107 HG LEU 22 HG LEU 22 -13.159 13.820 -11.684 108 1HD1 LEU 22 1HD1 LEU 22 -11.713 15.556 -9.675 109 2HD1 LEU 22 2HD1 LEU 22 -12.395 13.986 -9.244 110 3HD1 LEU 22 3HD1 LEU 22 -11.131 14.093 -10.470 111 1HD2 LEU 22 1HD2 LEU 22 -15.130 15.303 -11.257 112 2HD2 LEU 22 2HD2 LEU 22 -14.732 14.276 -9.879 113 3HD2 LEU 22 3HD2 LEU 22 -14.276 15.980 -9.870 114 H GLN 23 H GLN 23 -12.279 14.157 -14.221 115 HA GLN 23 HA GLN 23 -11.667 11.576 -13.405 116 1HB GLN 23 1HB GLN 23 -12.943 12.647 -15.466 117 2HB GLN 23 2HB GLN 23 -11.420 12.336 -16.300 118 1HG GLN 23 1HG GLN 23 -11.540 9.958 -15.490 119 2HG GLN 23 2HG GLN 23 -13.155 10.305 -14.869 120 2HE2 GLN 23 2HE2 GLN 23 -11.554 11.290 -17.951 121 1HE2 GLN 23 1HE2 GLN 23 -12.761 10.643 -18.953 122 H GLN 24 H GLN 24 -9.673 13.524 -15.662 123 HA GLN 24 HA GLN 24 -7.520 11.693 -15.927 124 1HB GLN 24 1HB GLN 24 -8.214 14.069 -16.986 125 2HB GLN 24 2HB GLN 24 -6.990 14.628 -15.846 126 1HG GLN 24 1HG GLN 24 -6.061 12.256 -17.214 127 2HG GLN 24 2HG GLN 24 -6.546 13.482 -18.385 128 2HE2 GLN 24 2HE2 GLN 24 -3.998 12.523 -16.330 129 1HE2 GLN 24 1HE2 GLN 24 -3.109 13.969 -16.363 130 H LYS 25 H LYS 25 -8.194 14.123 -13.434 131 HA LYS 25 HA LYS 25 -5.621 13.979 -12.128 132 1HB LYS 25 1HB LYS 25 -8.224 15.237 -11.832 133 2HB LYS 25 2HB LYS 25 -7.609 14.697 -10.270 134 1HG LYS 25 2HG LYS 25 -6.647 16.821 -10.456 135 2HG LYS 25 1HG LYS 25 -5.363 15.783 -11.077 136 1HD LYS 25 1HD LYS 25 -6.425 16.160 -13.396 137 2HD LYS 25 2HD LYS 25 -7.309 17.485 -12.637 138 1HE LYS 25 1HE LYS 25 -4.977 18.272 -11.785 139 2HE LYS 25 2HE LYS 25 -4.331 17.207 -13.049 140 1HZ LYS 25 1HZ LYS 25 -6.412 19.289 -13.470 141 2HZ LYS 25 2HZ LYS 25 -4.774 19.457 -13.888 142 3HZ LYS 25 3HZ LYS 25 -5.732 18.294 -14.667 143 H ILE 26 H ILE 26 -8.799 12.528 -11.300 144 HA ILE 26 HA ILE 26 -8.018 11.029 -9.050 145 HB ILE 26 HB ILE 26 -9.980 10.407 -11.282 146 1HG1 ILE 26 1HG1 ILE 26 -10.665 11.501 -8.567 147 2HG1 ILE 26 2HG1 ILE 26 -10.073 12.595 -9.818 148 1HG2 ILE 26 1HG2 ILE 26 -9.142 8.770 -9.136 149 2HG2 ILE 26 2HG2 ILE 26 -10.715 9.418 -8.670 150 3HG2 ILE 26 3HG2 ILE 26 -10.542 8.525 -10.181 151 1HD1 ILE 26 1HD1 ILE 26 -12.238 10.664 -10.545 152 2HD1 ILE 26 2HD1 ILE 26 -12.671 12.072 -9.576 153 3HD1 ILE 26 3HD1 ILE 26 -11.931 12.287 -11.163 154 H HIS 27 H HIS 27 -8.184 9.839 -12.436 155 HA HIS 27 HA HIS 27 -6.992 7.304 -11.967 156 1HB HIS 27 1HB HIS 27 -8.160 8.533 -14.035 157 2HB HIS 27 2HB HIS 27 -6.482 8.808 -14.501 158 HD1 HIS 27 HD1 HIS 27 -5.458 6.050 -13.215 159 HD2 HIS 27 HD2 HIS 27 -8.565 6.480 -15.961 160 HE1 HIS 27 HE1 HIS 27 -5.706 3.811 -14.372 161 H GLU 28 H GLU 28 -5.563 10.487 -12.216 162 HA GLU 28 HA GLU 28 -2.852 9.582 -12.785 163 1HB GLU 28 1HB GLU 28 -4.339 12.072 -12.201 164 2HB GLU 28 2HB GLU 28 -2.648 12.086 -11.698 165 1HG GLU 28 1HG GLU 28 -3.420 11.112 -14.442 166 2HG GLU 28 2HG GLU 28 -3.217 12.836 -14.125 167 H LEU 29 H LEU 29 -4.487 10.818 -9.841 168 HA LEU 29 HA LEU 29 -2.232 10.345 -8.099 169 1HB LEU 29 1HB LEU 29 -5.201 10.805 -7.745 170 2HB LEU 29 2HB LEU 29 -4.122 10.606 -6.365 171 HG LEU 29 HG LEU 29 -3.591 12.624 -8.553 172 1HD1 LEU 29 1HD1 LEU 29 -5.813 12.993 -7.383 173 2HD1 LEU 29 2HD1 LEU 29 -4.905 13.170 -5.880 174 3HD1 LEU 29 3HD1 LEU 29 -4.651 14.308 -7.204 175 1HD2 LEU 29 1HD2 LEU 29 -1.987 11.651 -6.545 176 2HD2 LEU 29 2HD2 LEU 29 -1.808 13.245 -7.278 177 3HD2 LEU 29 3HD2 LEU 29 -2.707 13.064 -5.773 178 H GLU 30 H GLU 30 -5.139 8.457 -8.922 179 HA GLU 30 HA GLU 30 -4.841 6.374 -7.002 180 1HB GLU 30 1HB GLU 30 -6.708 7.020 -8.737 181 2HB GLU 30 2HB GLU 30 -5.830 5.929 -9.810 182 1HG GLU 30 1HG GLU 30 -5.926 4.364 -7.629 183 2HG GLU 30 2HG GLU 30 -7.383 5.316 -7.343 184 H GLY 31 H GLY 31 -3.700 6.516 -10.401 185 1HA GLY 31 2HA GLY 31 -1.988 5.323 -11.475 186 2HA GLY 31 1HA GLY 31 -2.344 4.005 -10.357 187 H LEU 32 H LEU 32 -1.343 7.251 -9.383 188 HA LEU 32 HA LEU 32 1.462 6.592 -9.022 189 1HB LEU 32 1HB LEU 32 0.179 8.859 -9.323 190 2HB LEU 32 2HB LEU 32 -0.039 8.767 -7.575 191 HG LEU 32 HG LEU 32 2.514 8.332 -7.485 192 1HD1 LEU 32 1HD1 LEU 32 2.226 9.551 -10.250 193 2HD1 LEU 32 2HD1 LEU 32 3.751 9.335 -9.389 194 3HD1 LEU 32 3HD1 LEU 32 2.815 7.927 -9.891 195 1HD2 LEU 32 1HD2 LEU 32 1.378 10.427 -6.753 196 2HD2 LEU 32 2HD2 LEU 32 2.961 10.743 -7.462 197 3HD2 LEU 32 3HD2 LEU 32 1.499 11.043 -8.400 198 H MET 33 H MET 33 -1.429 6.310 -7.053 199 HA MET 33 HA MET 33 -0.002 5.954 -4.523 200 1HB MET 33 1HB MET 33 -2.234 6.895 -4.584 201 2HB MET 33 2HB MET 33 -2.846 5.504 -5.478 202 1HG MET 33 1HG MET 33 -1.514 4.890 -2.900 203 2HG MET 33 2HG MET 33 -3.055 5.741 -2.785 204 1HE MET 33 1HE MET 33 -5.074 5.172 -4.038 205 2HE MET 33 2HE MET 33 -5.704 3.528 -3.996 206 3HE MET 33 3HE MET 33 -5.216 4.316 -2.498 207 H MET 34 H MET 34 -1.161 3.879 -7.118 208 HA MET 34 HA MET 34 -0.986 1.399 -5.583 209 1HB MET 34 1HB MET 34 -1.334 2.202 -8.473 210 2HB MET 34 2HB MET 34 -1.152 0.507 -8.022 211 1HG MET 34 1HG MET 34 -3.071 1.898 -6.314 212 2HG MET 34 2HG MET 34 -3.535 1.948 -8.015 213 1HE MET 34 1HE MET 34 -3.100 0.449 -4.937 214 2HE MET 34 2HE MET 34 -4.652 -0.386 -5.091 215 3HE MET 34 3HE MET 34 -3.153 -1.309 -5.033 216 H GLN 35 H GLN 35 1.008 2.896 -8.164 217 HA GLN 35 HA GLN 35 3.025 0.962 -8.389 218 1HB GLN 35 1HB GLN 35 4.400 2.876 -9.147 219 2HB GLN 35 2HB GLN 35 2.755 2.988 -9.777 220 1HG GLN 35 1HG GLN 35 2.159 4.535 -7.947 221 2HG GLN 35 2HG GLN 35 3.809 4.435 -7.329 222 2HE2 GLN 35 2HE2 GLN 35 2.443 4.864 -10.650 223 1HE2 GLN 35 1HE2 GLN 35 3.377 6.234 -11.012 224 H HIS 36 H HIS 36 2.580 3.414 -5.871 225 HA HIS 36 HA HIS 36 5.177 2.966 -4.622 226 1HB HIS 36 1HB HIS 36 2.589 4.293 -3.766 227 2HB HIS 36 2HB HIS 36 4.079 4.362 -2.823 228 HD1 HIS 36 HD1 HIS 36 5.592 4.408 -5.859 229 HD2 HIS 36 HD2 HIS 36 3.061 7.203 -4.082 230 HE1 HIS 36 HE1 HIS 36 6.048 6.619 -7.007 231 H ALA 37 H ALA 37 1.869 2.346 -3.369 232 HA ALA 37 HA ALA 37 2.470 0.702 -1.196 233 1HB ALA 37 1HB ALA 37 0.191 -0.417 -2.140 234 2HB ALA 37 2HB ALA 37 0.224 1.178 -1.386 235 3HB ALA 37 3HB ALA 37 0.237 1.033 -3.144 236 H GLN 38 H GLN 38 2.306 -0.180 -4.640 237 HA GLN 38 HA GLN 38 2.626 -3.033 -4.251 238 1HB GLN 38 1HB GLN 38 2.692 -1.024 -6.453 239 2HB GLN 38 2HB GLN 38 3.497 -2.561 -6.768 240 1HG GLN 38 1HG GLN 38 1.220 -3.489 -5.662 241 2HG GLN 38 2HG GLN 38 0.608 -1.986 -6.356 242 2HE2 GLN 38 2HE2 GLN 38 2.217 -5.061 -7.182 243 1HE2 GLN 38 1HE2 GLN 38 1.848 -4.999 -8.838 244 H ASN 39 H ASN 39 4.830 -0.300 -4.691 245 HA ASN 39 HA ASN 39 7.200 -2.087 -4.729 246 1HB ASN 39 1HB ASN 39 6.508 0.743 -5.335 247 2HB ASN 39 2HB ASN 39 8.144 0.459 -4.741 248 2HD2 ASN 39 2HD2 ASN 39 6.358 0.579 -7.574 249 1HD2 ASN 39 1HD2 ASN 39 7.343 -0.397 -8.552 250 H LEU 40 H LEU 40 5.307 -1.507 -2.327 251 HA LEU 40 HA LEU 40 5.542 -1.267 -0.010 252 1HB LEU 40 1HB LEU 40 8.049 -2.307 -1.121 253 2HB LEU 40 2HB LEU 40 8.277 -1.482 0.421 254 HG LEU 40 HG LEU 40 5.906 -3.148 0.493 255 1HD1 LEU 40 1HD1 LEU 40 8.484 -4.352 -0.484 256 2HD1 LEU 40 2HD1 LEU 40 7.405 -5.294 0.544 257 3HD1 LEU 40 3HD1 LEU 40 6.834 -4.686 -1.010 258 1HD2 LEU 40 1HD2 LEU 40 8.432 -2.704 2.031 259 2HD2 LEU 40 2HD2 LEU 40 6.757 -2.621 2.580 260 3HD2 LEU 40 3HD2 LEU 40 7.532 -4.189 2.342 261 H GLU 41 H GLU 41 5.936 1.120 -1.885 262 HA GLU 41 HA GLU 41 7.866 2.886 -0.636 263 1HB GLU 41 1HB GLU 41 5.854 2.882 -2.741 264 2HB GLU 41 2HB GLU 41 5.816 4.394 -1.833 265 1HG GLU 41 1HG GLU 41 8.369 3.178 -2.918 266 2HG GLU 41 2HG GLU 41 7.419 4.374 -3.798 267 H PHE 42 H PHE 42 4.320 2.571 -0.413 268 HA PHE 42 HA PHE 42 2.807 3.341 1.222 269 1HB PHE 42 1HB PHE 42 5.247 2.247 2.546 270 2HB PHE 42 2HB PHE 42 4.068 3.060 3.575 271 HD1 PHE 42 HD1 PHE 42 1.490 2.454 2.454 272 HD2 PHE 42 HD2 PHE 42 4.975 -0.081 2.729 273 HE1 PHE 42 HE1 PHE 42 0.028 0.438 2.383 274 HE2 PHE 42 HE2 PHE 42 3.512 -2.098 2.659 275 HZ PHE 42 HZ PHE 42 1.037 -1.836 2.487 276 H GLU 43 H GLU 43 2.815 4.822 3.333 277 HA GLU 43 HA GLU 43 3.017 6.958 4.260 278 1HB GLU 43 1HB GLU 43 5.403 6.440 4.394 279 2HB GLU 43 2HB GLU 43 5.623 6.852 2.696 280 1HG GLU 43 1HG GLU 43 4.722 9.162 3.266 281 2HG GLU 43 2HG GLU 43 4.901 8.709 4.962 282 H GLU 44 H GLU 44 4.393 7.138 1.006 283 HA GLU 44 HA GLU 44 2.845 9.552 0.370 284 1HB GLU 44 2HB GLU 44 4.124 9.436 -1.716 285 2HB GLU 44 1HB GLU 44 5.203 9.132 -0.356 286 1HG GLU 44 1HG GLU 44 5.089 6.728 -0.742 287 2HG GLU 44 2HG GLU 44 3.888 6.957 -2.012 288 H ALA 45 H ALA 45 2.704 6.085 -0.261 289 HA ALA 45 HA ALA 45 0.688 6.294 -2.372 290 1HB ALA 45 1HB ALA 45 1.143 3.797 -0.812 291 2HB ALA 45 3HB ALA 45 2.536 4.475 -1.654 292 3HB ALA 45 2HB ALA 45 1.088 4.034 -2.558 293 H ALA 46 H ALA 46 0.650 5.224 1.052 294 HA ALA 46 HA ALA 46 -2.182 4.702 1.103 295 1HB ALA 46 1HB ALA 46 -0.494 5.447 3.483 296 2HB ALA 46 3HB ALA 46 -0.214 3.935 2.615 297 3HB ALA 46 2HB ALA 46 -1.777 4.240 3.373 298 H GLN 47 H GLN 47 -0.343 7.644 1.341 299 HA GLN 47 HA GLN 47 -2.402 9.156 2.777 300 1HB GLN 47 1HB GLN 47 0.293 9.481 1.737 301 2HB GLN 47 2HB GLN 47 -0.699 10.888 1.372 302 1HG GLN 47 1HG GLN 47 0.440 11.088 3.580 303 2HG GLN 47 2HG GLN 47 -1.317 11.114 3.726 304 2HE2 GLN 47 2HE2 GLN 47 -2.037 9.817 5.412 305 1HE2 GLN 47 1HE2 GLN 47 -1.292 8.384 5.933 306 H ILE 48 H ILE 48 -1.210 9.100 -0.612 307 HA ILE 48 HA ILE 48 -3.017 10.912 -1.775 308 HB ILE 48 HB ILE 48 -1.865 8.291 -2.792 309 1HG1 ILE 48 1HG1 ILE 48 -0.954 11.156 -3.210 310 2HG1 ILE 48 2HG1 ILE 48 -0.259 10.063 -2.013 311 1HG2 ILE 48 1HG2 ILE 48 -3.492 10.425 -4.105 312 2HG2 ILE 48 2HG2 ILE 48 -2.153 9.737 -5.023 313 3HG2 ILE 48 3HG2 ILE 48 -3.444 8.693 -4.429 314 1HD1 ILE 48 1HD1 ILE 48 -0.412 8.801 -4.629 315 2HD1 ILE 48 2HD1 ILE 48 0.517 10.299 -4.693 316 3HD1 ILE 48 3HD1 ILE 48 0.986 9.017 -3.576 317 H ARG 49 H ARG 49 -3.514 7.594 -0.727 318 HA ARG 49 HA ARG 49 -5.966 6.974 -1.999 319 1HB ARG 49 1HB ARG 49 -4.799 5.285 -0.817 320 2HB ARG 49 2HB ARG 49 -4.620 6.286 0.618 321 1HG ARG 49 1HG ARG 49 -7.427 5.920 0.043 322 2HG ARG 49 2HG ARG 49 -6.622 4.353 0.108 323 1HD ARG 49 1HD ARG 49 -7.431 5.118 2.362 324 2HD ARG 49 2HD ARG 49 -5.671 4.899 2.311 325 HE ARG 49 HE ARG 49 -5.503 7.387 1.924 326 1HH1 ARG 49 1HH1 ARG 49 -8.740 6.958 1.810 327 2HH1 ARG 49 2HH1 ARG 49 -9.148 7.991 3.140 328 1HH2 ARG 49 1HH2 ARG 49 -5.874 8.311 4.237 329 2HH2 ARG 49 2HH2 ARG 49 -7.524 8.758 4.514 330 H ASP 50 H ASP 50 -5.223 9.213 0.582 331 HA ASP 50 HA ASP 50 -7.972 9.471 1.554 332 1HB ASP 50 1HB ASP 50 -5.739 9.873 2.778 333 2HB ASP 50 2HB ASP 50 -5.664 11.397 1.894 334 H GLN 51 H GLN 51 -5.849 11.180 -0.717 335 HA GLN 51 HA GLN 51 -7.588 13.444 -1.157 336 1HB GLN 51 2HB GLN 51 -5.468 12.144 -2.904 337 2HB GLN 51 1HB GLN 51 -6.083 13.788 -3.086 338 1HG GLN 51 1HG GLN 51 -5.101 14.509 -1.065 339 2HG GLN 51 2HG GLN 51 -4.890 12.860 -0.477 340 2HE2 GLN 51 2HE2 GLN 51 -4.084 13.857 -3.796 341 1HE2 GLN 51 1HE2 GLN 51 -2.407 13.648 -3.631 342 H LEU 52 H LEU 52 -7.164 10.311 -2.813 343 HA LEU 52 HA LEU 52 -8.856 10.708 -5.036 344 1HB LEU 52 1HB LEU 52 -7.663 8.536 -3.503 345 2HB LEU 52 2HB LEU 52 -9.239 8.075 -4.149 346 HG LEU 52 HG LEU 52 -7.435 7.566 -5.761 347 1HD1 LEU 52 1HD1 LEU 52 -9.687 9.372 -6.260 348 2HD1 LEU 52 2HD1 LEU 52 -8.419 9.507 -7.478 349 3HD1 LEU 52 3HD1 LEU 52 -9.174 7.946 -7.159 350 1HD2 LEU 52 1HD2 LEU 52 -6.012 9.538 -4.916 351 2HD2 LEU 52 2HD2 LEU 52 -6.019 9.256 -6.657 352 3HD2 LEU 52 3HD2 LEU 52 -6.999 10.551 -5.969 353 H HIS 53 H HIS 53 -9.669 9.833 -1.686 354 HA HIS 53 HA HIS 53 -12.455 9.290 -2.112 355 1HB HIS 53 1HB HIS 53 -10.541 9.682 0.064 356 2HB HIS 53 2HB HIS 53 -12.142 10.299 0.471 357 HD1 HIS 53 HD1 HIS 53 -12.741 8.360 2.063 358 HD2 HIS 53 HD2 HIS 53 -11.760 7.091 -1.784 359 HE1 HIS 53 HE1 HIS 53 -13.400 5.919 1.926 360 H GLN 54 H GLN 54 -10.857 12.235 -0.819 361 HA GLN 54 HA GLN 54 -13.163 13.882 -0.710 362 1HB GLN 54 1HB GLN 54 -10.198 14.306 -1.029 363 2HB GLN 54 2HB GLN 54 -11.291 15.690 -1.050 364 1HG GLN 54 1HG GLN 54 -12.121 14.085 1.119 365 2HG GLN 54 2HG GLN 54 -10.361 14.157 1.214 366 2HE2 GLN 54 2HE2 GLN 54 -10.249 15.669 2.979 367 1HE2 GLN 54 1HE2 GLN 54 -10.788 17.272 2.842 368 H LEU 55 H LEU 55 -10.863 13.313 -3.377 369 HA LEU 55 HA LEU 55 -11.800 15.223 -5.232 370 1HB LEU 55 1HB LEU 55 -10.394 12.608 -5.248 371 2HB LEU 55 2HB LEU 55 -11.100 13.103 -6.787 372 HG LEU 55 HG LEU 55 -9.726 15.300 -5.432 373 1HD1 LEU 55 1HD1 LEU 55 -8.389 12.677 -5.699 374 2HD1 LEU 55 2HD1 LEU 55 -7.497 14.036 -6.385 375 3HD1 LEU 55 3HD1 LEU 55 -7.968 14.057 -4.685 376 1HD2 LEU 55 1HD2 LEU 55 -9.654 13.970 -8.148 377 2HD2 LEU 55 2HD2 LEU 55 -10.345 15.536 -7.725 378 3HD2 LEU 55 3HD2 LEU 55 -8.595 15.318 -7.737 379 H ARG 56 H ARG 56 -13.198 12.146 -4.244 380 HA ARG 56 HA ARG 56 -14.996 11.680 -6.392 381 1HB ARG 56 1HB ARG 56 -14.421 10.193 -4.438 382 2HB ARG 56 2HB ARG 56 -15.438 11.218 -3.425 383 1HG ARG 56 1HG ARG 56 -17.258 10.774 -5.256 384 2HG ARG 56 2HG ARG 56 -16.244 9.392 -5.673 385 1HD ARG 56 1HD ARG 56 -16.321 8.715 -3.225 386 2HD ARG 56 2HD ARG 56 -17.565 9.961 -3.002 387 HE ARG 56 HE ARG 56 -18.449 8.564 -5.218 388 1HH1 ARG 56 1HH1 ARG 56 -18.764 8.401 -1.926 389 2HH1 ARG 56 2HH1 ARG 56 -19.227 6.734 -1.853 390 1HH2 ARG 56 1HH2 ARG 56 -18.490 6.109 -5.183 391 2HH2 ARG 56 2HH2 ARG 56 -19.072 5.437 -3.698 392 H GLU 57 H GLU 57 -15.840 13.171 -3.237 393 HA GLU 57 HA GLU 57 -18.373 14.179 -4.014 394 1HB GLU 57 1HB GLU 57 -18.008 15.683 -2.039 395 2HB GLU 57 2HB GLU 57 -17.595 14.002 -1.704 396 1HG GLU 57 1HG GLU 57 -15.282 14.420 -1.795 397 2HG GLU 57 2HG GLU 57 -15.497 15.926 -2.688 398 H LEU 58 H LEU 58 -15.154 15.353 -4.685 399 HA LEU 58 HA LEU 58 -15.732 18.099 -5.242 400 1HB LEU 58 1HB LEU 58 -13.537 16.525 -5.106 401 2HB LEU 58 2HB LEU 58 -13.712 16.625 -6.858 402 HG LEU 58 HG LEU 58 -14.041 19.188 -5.419 403 1HD1 LEU 58 1HD1 LEU 58 -12.184 18.057 -4.160 404 2HD1 LEU 58 2HD1 LEU 58 -11.302 17.910 -5.680 405 3HD1 LEU 58 3HD1 LEU 58 -11.666 19.506 -5.022 406 1HD2 LEU 58 1HD2 LEU 58 -13.457 18.223 -8.028 407 2HD2 LEU 58 2HD2 LEU 58 -13.624 19.903 -7.515 408 3HD2 LEU 58 3HD2 LEU 58 -12.041 19.125 -7.489 409 H PHE 59 H PHE 59 -16.474 15.183 -6.984 410 HA PHE 59 HA PHE 59 -16.546 15.928 -9.669 411 1HB PHE 59 1HB PHE 59 -17.129 13.719 -8.760 412 2HB PHE 59 2HB PHE 59 -18.591 14.389 -8.037 413 HD1 PHE 59 HD1 PHE 59 -20.328 15.487 -9.602 414 HD2 PHE 59 HD2 PHE 59 -17.127 12.951 -11.004 415 HE1 PHE 59 HE1 PHE 59 -21.556 15.119 -11.739 416 HE2 PHE 59 HE2 PHE 59 -18.356 12.583 -13.142 417 HZ PHE 59 HZ PHE 59 -20.570 13.668 -13.510 418 H ILE 60 H ILE 60 -18.845 16.822 -7.107 419 HA ILE 60 HA ILE 60 -20.744 18.110 -8.883 420 HB ILE 60 HB ILE 60 -20.176 18.316 -5.908 421 1HG1 ILE 60 1HG1 ILE 60 -22.460 16.858 -7.228 422 2HG1 ILE 60 2HG1 ILE 60 -20.886 16.081 -7.055 423 1HG2 ILE 60 1HG2 ILE 60 -22.531 19.267 -7.566 424 2HG2 ILE 60 2HG2 ILE 60 -22.541 19.161 -5.805 425 3HG2 ILE 60 3HG2 ILE 60 -21.434 20.268 -6.616 426 1HD1 ILE 60 1HD1 ILE 60 -21.371 17.226 -4.551 427 2HD1 ILE 60 2HD1 ILE 60 -22.930 16.560 -5.039 428 3HD1 ILE 60 3HD1 ILE 60 -21.510 15.516 -4.963 429 H ALA 61 H ALA 61 -17.961 19.213 -6.967 430 HA ALA 61 HA ALA 61 -18.387 22.039 -7.463 431 1HB ALA 61 1HB ALA 61 -17.125 21.239 -5.553 432 2HB ALA 61 2HB ALA 61 -16.013 22.124 -6.597 433 3HB ALA 61 3HB ALA 61 -16.011 20.361 -6.602 434 H ALA 62 H ALA 62 -16.983 19.435 -9.292 435 HA ALA 62 HA ALA 62 -15.488 21.284 -11.072 436 1HB ALA 62 1HB ALA 62 -15.521 18.434 -10.349 437 2HB ALA 62 3HB ALA 62 -15.305 18.713 -12.077 438 3HB ALA 62 2HB ALA 62 -14.182 19.428 -10.921 439 H SER 63 H SER 63 -17.805 18.585 -11.574 440 HA SER 63 HA SER 63 -18.793 20.008 -14.014 441 1HB SER 63 1HB SER 63 -17.816 17.713 -14.195 442 2HB SER 63 2HB SER 63 -19.075 17.122 -13.113 443 HG SER 63 HG SER 63 -19.273 17.205 -15.638 444 H LEU 8 H LEU 8 28.575 -18.937 -7.693 445 HA LEU 8 HA LEU 8 27.861 -21.241 -7.764 446 1HB LEU 8 1HB LEU 8 29.475 -21.270 -9.783 447 2HB LEU 8 2HB LEU 8 30.682 -21.876 -8.646 448 HG LEU 8 HG LEU 8 28.763 -23.579 -8.005 449 1HD1 LEU 8 1HD1 LEU 8 27.218 -22.299 -9.651 450 2HD1 LEU 8 2HD1 LEU 8 28.110 -23.143 -10.917 451 3HD1 LEU 8 3HD1 LEU 8 27.207 -24.061 -9.712 452 1HD2 LEU 8 1HD2 LEU 8 31.056 -23.933 -9.173 453 2HD2 LEU 8 2HD2 LEU 8 29.821 -25.173 -9.393 454 3HD2 LEU 8 3HD2 LEU 8 30.122 -23.993 -10.668 455 H GLU 9 H GLU 9 28.308 -20.244 -5.381 456 HA GLU 9 HA GLU 9 29.745 -22.370 -3.923 457 1HB GLU 9 1HB GLU 9 31.294 -20.390 -4.697 458 2HB GLU 9 2HB GLU 9 30.520 -19.513 -3.376 459 1HG GLU 9 1HG GLU 9 31.131 -21.440 -1.858 460 2HG GLU 9 2HG GLU 9 32.088 -22.098 -3.185 461 HA PRO 10 HA PRO 10 26.031 -20.494 -1.838 462 1HB PRO 10 1HB PRO 10 24.701 -22.850 -1.429 463 2HB PRO 10 2HB PRO 10 24.533 -21.892 -2.914 464 1HG PRO 10 2HG PRO 10 26.151 -24.338 -2.413 465 2HG PRO 10 1HG PRO 10 25.234 -23.864 -3.851 466 1HD PRO 10 1HD PRO 10 27.947 -23.632 -3.639 467 2HD PRO 10 2HD PRO 10 26.947 -22.602 -4.686 468 H ASP 11 H ASP 11 27.467 -23.687 -1.063 469 HA ASP 11 HA ASP 11 28.338 -24.534 0.957 470 1HB ASP 11 1HB ASP 11 28.936 -21.708 0.779 471 2HB ASP 11 2HB ASP 11 28.699 -22.168 2.465 472 H ASN 12 H ASN 12 26.825 -21.657 2.385 473 HA ASN 12 HA ASN 12 24.699 -23.401 3.566 474 1HB ASN 12 1HB ASN 12 25.195 -22.276 5.748 475 2HB ASN 12 2HB ASN 12 26.556 -23.225 5.149 476 2HD2 ASN 12 2HD2 ASN 12 25.478 -19.990 5.930 477 1HD2 ASN 12 1HD2 ASN 12 26.931 -19.201 5.546 478 H VAL 13 H VAL 13 24.952 -21.092 1.486 479 HA VAL 13 HA VAL 13 23.487 -18.885 2.719 480 HB VAL 13 HB VAL 13 24.635 -19.632 0.060 481 1HG1 VAL 13 1HG1 VAL 13 22.340 -17.717 0.437 482 2HG1 VAL 13 2HG1 VAL 13 23.567 -17.399 -0.789 483 3HG1 VAL 13 3HG1 VAL 13 22.609 -18.878 -0.863 484 1HG2 VAL 13 1HG2 VAL 13 25.786 -18.318 1.900 485 2HG2 VAL 13 2HG2 VAL 13 25.769 -17.543 0.316 486 3HG2 VAL 13 3HG2 VAL 13 24.646 -17.014 1.569 487 HA PRO 14 HA PRO 14 19.832 -20.772 0.373 488 1HB PRO 14 1HB PRO 14 20.134 -23.133 -0.959 489 2HB PRO 14 2HB PRO 14 20.507 -21.564 -1.700 490 1HG PRO 14 2HG PRO 14 22.324 -23.658 -0.713 491 2HG PRO 14 1HG PRO 14 22.583 -22.424 -1.952 492 1HD PRO 14 1HD PRO 14 23.521 -22.379 0.710 493 2HD PRO 14 2HD PRO 14 23.582 -21.066 -0.473 494 H MET 15 H MET 15 21.937 -23.435 1.464 495 HA MET 15 HA MET 15 19.885 -25.085 2.552 496 1HB MET 15 1HB MET 15 22.433 -25.439 2.003 497 2HB MET 15 2HB MET 15 22.669 -24.924 3.673 498 1HG MET 15 1HG MET 15 21.852 -26.867 4.507 499 2HG MET 15 2HG MET 15 20.520 -26.904 3.350 500 1HE MET 15 1HE MET 15 24.189 -27.395 4.040 501 2HE MET 15 2HE MET 15 24.839 -28.294 2.663 502 3HE MET 15 3HE MET 15 24.403 -26.596 2.484 503 H ASP 16 H ASP 16 18.689 -24.803 4.397 504 HA ASP 16 HA ASP 16 17.958 -23.870 6.442 505 1HB ASP 16 1HB ASP 16 20.310 -25.096 6.777 506 2HB ASP 16 2HB ASP 16 20.830 -23.456 7.168 507 H MET 17 H MET 17 18.167 -21.976 4.296 508 HA MET 17 HA MET 17 19.653 -19.628 4.847 509 1HB MET 17 2HB MET 17 17.922 -18.564 3.435 510 2HB MET 17 1HB MET 17 18.383 -20.134 2.779 511 1HG MET 17 1HG MET 17 16.408 -21.057 4.199 512 2HG MET 17 2HG MET 17 15.869 -19.378 4.256 513 1HE MET 17 1HE MET 17 15.964 -17.896 2.324 514 2HE MET 17 2HE MET 17 17.070 -18.499 1.091 515 3HE MET 17 3HE MET 17 15.350 -18.301 0.722 516 H SER 18 H SER 18 16.830 -20.940 6.423 517 HA SER 18 HA SER 18 16.917 -18.746 8.413 518 1HB SER 18 1HB SER 18 14.500 -19.464 6.724 519 2HB SER 18 2HB SER 18 14.463 -18.367 8.101 520 HG SER 18 HG SER 18 14.730 -17.223 6.159 521 HA PRO 19 HA PRO 19 15.595 -22.071 10.986 522 1HB PRO 19 1HB PRO 19 14.318 -20.755 13.008 523 2HB PRO 19 2HB PRO 19 16.073 -20.682 12.763 524 1HG PRO 19 2HG PRO 19 14.028 -18.642 12.259 525 2HG PRO 19 1HG PRO 19 15.764 -18.459 12.536 526 1HD PRO 19 1HD PRO 19 14.381 -18.366 10.047 527 2HD PRO 19 2HD PRO 19 16.133 -18.273 10.321 528 H LYS 20 H LYS 20 13.522 -21.048 8.879 529 HA LYS 20 HA LYS 20 11.354 -21.726 8.244 530 1HB LYS 20 1HB LYS 20 12.317 -23.828 9.428 531 2HB LYS 20 2HB LYS 20 11.291 -23.357 10.783 532 1HG LYS 20 1HG LYS 20 10.215 -23.635 7.973 533 2HG LYS 20 2HG LYS 20 10.257 -24.988 9.103 534 1HD LYS 20 1HD LYS 20 9.139 -23.120 10.698 535 2HD LYS 20 2HD LYS 20 8.557 -22.551 9.132 536 1HE LYS 20 1HE LYS 20 8.275 -25.409 9.208 537 2HE LYS 20 2HE LYS 20 7.530 -24.721 10.664 538 1HZ LYS 20 1HZ LYS 20 6.489 -23.029 9.201 539 2HZ LYS 20 2HZ LYS 20 7.059 -23.889 7.852 540 3HZ LYS 20 3HZ LYS 20 5.937 -24.608 8.902 541 H ALA 21 H ALA 21 11.182 -21.704 11.833 542 HA ALA 21 HA ALA 21 8.634 -20.622 12.152 543 1HB ALA 21 1HB ALA 21 11.219 -20.272 13.686 544 2HB ALA 21 3HB ALA 21 9.681 -19.659 14.294 545 3HB ALA 21 2HB ALA 21 9.897 -21.389 14.028 546 H LEU 22 H LEU 22 11.679 -18.740 11.938 547 HA LEU 22 HA LEU 22 10.371 -16.165 11.898 548 1HB LEU 22 1HB LEU 22 12.637 -16.263 12.590 549 2HB LEU 22 2HB LEU 22 13.096 -17.290 11.238 550 HG LEU 22 HG LEU 22 12.982 -15.467 9.690 551 1HD1 LEU 22 1HD1 LEU 22 11.607 -14.006 11.951 552 2HD1 LEU 22 2HD1 LEU 22 12.287 -13.160 10.560 553 3HD1 LEU 22 3HD1 LEU 22 10.990 -14.334 10.332 554 1HD2 LEU 22 1HD2 LEU 22 14.977 -15.528 11.200 555 2HD2 LEU 22 2HD2 LEU 22 14.609 -13.906 10.618 556 3HD2 LEU 22 3HD2 LEU 22 14.168 -14.375 12.260 557 H GLN 23 H GLN 23 12.037 -17.972 9.301 558 HA GLN 23 HA GLN 23 11.423 -16.438 7.072 559 1HB GLN 23 1HB GLN 23 12.653 -18.749 7.489 560 2HB GLN 23 2HB GLN 23 11.105 -19.421 6.977 561 1HG GLN 23 1HG GLN 23 11.226 -17.969 4.928 562 2HG GLN 23 2HG GLN 23 12.860 -17.511 5.412 563 2HE2 GLN 23 2HE2 GLN 23 11.185 -20.707 5.500 564 1HE2 GLN 23 1HE2 GLN 23 12.359 -21.511 4.573 565 H GLN 24 H GLN 24 9.387 -19.111 8.325 566 HA GLN 24 HA GLN 24 7.211 -18.789 6.531 567 1HB GLN 24 1HB GLN 24 7.897 -20.500 8.493 568 2HB GLN 24 2HB GLN 24 6.709 -19.540 9.375 569 1HG GLN 24 1HG GLN 24 5.723 -20.148 6.726 570 2HG GLN 24 2HG GLN 24 6.187 -21.633 7.557 571 2HE2 GLN 24 2HE2 GLN 24 3.687 -19.330 7.269 572 1HE2 GLN 24 1HE2 GLN 24 2.810 -19.755 8.659 573 H LYS 25 H LYS 25 7.974 -17.113 9.562 574 HA LYS 25 HA LYS 25 5.436 -15.761 9.839 575 1HB LYS 25 1HB LYS 25 8.057 -15.899 11.086 576 2HB LYS 25 2HB LYS 25 7.480 -14.233 11.027 577 1HG LYS 25 2HG LYS 25 6.533 -14.997 13.024 578 2HG LYS 25 1HG LYS 25 5.224 -15.265 11.872 579 1HD LYS 25 1HD LYS 25 6.225 -17.619 11.552 580 2HD LYS 25 2HD LYS 25 7.141 -17.292 13.024 581 1HE LYS 25 1HE LYS 25 4.841 -16.646 14.061 582 2HE LYS 25 2HE LYS 25 4.152 -17.537 12.690 583 1HZ LYS 25 1HZ LYS 25 6.239 -18.585 14.529 584 2HZ LYS 25 2HZ LYS 25 4.592 -18.995 14.597 585 3HZ LYS 25 3HZ LYS 25 5.517 -19.431 13.245 586 H ILE 26 H ILE 26 8.622 -14.626 8.633 587 HA ILE 26 HA ILE 26 7.890 -12.023 7.854 588 HB ILE 26 HB ILE 26 9.783 -14.029 6.587 589 1HG1 ILE 26 1HG1 ILE 26 10.553 -11.758 8.400 590 2HG1 ILE 26 2HG1 ILE 26 9.937 -13.256 9.100 591 1HG2 ILE 26 1HG2 ILE 26 8.991 -11.484 5.647 592 2HG2 ILE 26 2HG2 ILE 26 10.582 -11.261 6.375 593 3HG2 ILE 26 3HG2 ILE 26 10.360 -12.448 5.090 594 1HD1 ILE 26 1HD1 ILE 26 12.064 -13.451 7.007 595 2HD1 ILE 26 2HD1 ILE 26 12.536 -12.936 8.626 596 3HD1 ILE 26 3HD1 ILE 26 11.755 -14.500 8.391 597 H HIS 27 H HIS 27 7.953 -14.929 5.742 598 HA HIS 27 HA HIS 27 6.752 -13.726 3.467 599 1HB HIS 27 1HB HIS 27 7.874 -16.086 4.034 600 2HB HIS 27 2HB HIS 27 6.186 -16.573 4.192 601 HD1 HIS 27 HD1 HIS 27 5.173 -14.527 1.934 602 HD2 HIS 27 HD2 HIS 27 8.207 -17.353 1.510 603 HE1 HIS 27 HE1 HIS 27 5.370 -15.000 -0.546 604 H GLU 28 H GLU 28 5.344 -14.843 6.469 605 HA GLU 28 HA GLU 28 2.612 -15.065 5.483 606 1HB GLU 28 1HB GLU 28 4.136 -15.253 8.012 607 2HB GLU 28 2HB GLU 28 2.459 -14.736 8.196 608 1HG GLU 28 1HG GLU 28 3.147 -17.104 6.466 609 2HG GLU 28 2HG GLU 28 2.969 -17.289 8.211 610 H LEU 29 H LEU 29 4.336 -12.637 7.483 611 HA LEU 29 HA LEU 29 2.126 -10.779 7.565 612 1HB LEU 29 1HB LEU 29 5.107 -10.643 8.058 613 2HB LEU 29 2HB LEU 29 4.063 -9.239 8.281 614 HG LEU 29 HG LEU 29 3.492 -11.901 9.595 615 1HD1 LEU 29 1HD1 LEU 29 5.748 -10.938 10.247 616 2HD1 LEU 29 2HD1 LEU 29 4.884 -9.529 10.863 617 3HD1 LEU 29 3HD1 LEU 29 4.604 -11.117 11.578 618 1HD2 LEU 29 1HD2 LEU 29 1.935 -9.661 9.265 619 2HD2 LEU 29 2HD2 LEU 29 1.751 -10.817 10.585 620 3HD2 LEU 29 3HD2 LEU 29 2.688 -9.342 10.829 621 H GLU 30 H GLU 30 4.992 -11.095 5.474 622 HA GLU 30 HA GLU 30 4.729 -8.654 4.032 623 1HB GLU 30 1HB GLU 30 6.552 -10.544 4.124 624 2HB GLU 30 2HB GLU 30 5.636 -11.239 2.787 625 1HG GLU 30 1HG GLU 30 5.778 -8.704 1.909 626 2HG GLU 30 2HG GLU 30 7.252 -8.738 2.879 627 H GLY 31 H GLY 31 3.498 -11.923 3.213 628 1HA GLY 31 2HA GLY 31 1.746 -12.568 1.791 629 2HA GLY 31 1HA GLY 31 2.120 -11.128 0.843 630 H LEU 32 H LEU 32 1.176 -11.101 4.247 631 HA LEU 32 HA LEU 32 -1.624 -10.501 3.766 632 1HB LEU 32 1HB LEU 32 -0.329 -11.469 5.831 633 2HB LEU 32 2HB LEU 32 -0.065 -9.773 6.239 634 HG LEU 32 HG LEU 32 -2.619 -9.505 5.890 635 1HD1 LEU 32 1HD1 LEU 32 -2.395 -12.508 6.261 636 2HD1 LEU 32 2HD1 LEU 32 -3.897 -11.586 6.326 637 3HD1 LEU 32 3HD1 LEU 32 -2.987 -11.685 4.819 638 1HD2 LEU 32 1HD2 LEU 32 -1.444 -9.429 8.088 639 2HD2 LEU 32 2HD2 LEU 32 -3.043 -10.162 8.213 640 3HD2 LEU 32 3HD2 LEU 32 -1.604 -11.182 8.208 641 H MET 33 H MET 33 1.318 -8.602 4.010 642 HA MET 33 HA MET 33 -0.042 -6.044 4.415 643 1HB MET 33 1HB MET 33 2.201 -6.430 5.258 644 2HB MET 33 2HB MET 33 2.772 -6.887 3.653 645 1HG MET 33 1HG MET 33 1.494 -4.219 3.845 646 2HG MET 33 2HG MET 33 3.043 -4.386 4.671 647 1HE MET 33 1HE MET 33 5.025 -5.471 3.727 648 2HE MET 33 2HE MET 33 5.645 -4.968 2.157 649 3HE MET 33 3HE MET 33 5.213 -3.751 3.357 650 H MET 34 H MET 34 1.025 -7.962 1.668 651 HA MET 34 HA MET 34 0.868 -5.780 -0.267 652 1HB MET 34 1HB MET 34 1.146 -8.785 -0.330 653 2HB MET 34 2HB MET 34 0.960 -7.864 -1.823 654 1HG MET 34 1HG MET 34 2.938 -6.673 -0.032 655 2HG MET 34 2HG MET 34 3.356 -8.327 -0.477 656 1HE MET 34 1HE MET 34 2.992 -4.939 -1.025 657 2HE MET 34 2HE MET 34 4.531 -4.884 -1.895 658 3HE MET 34 3HE MET 34 3.025 -4.529 -2.739 659 H GLN 35 H GLN 35 -1.181 -8.634 0.462 660 HA GLN 35 HA GLN 35 -3.222 -8.248 -1.422 661 1HB GLN 35 2HB GLN 35 -4.598 -9.492 0.219 662 2HB GLN 35 1HB GLN 35 -2.971 -10.164 0.119 663 1HG GLN 35 1HG GLN 35 -2.312 -8.868 2.116 664 2HG GLN 35 2HG GLN 35 -3.944 -8.209 2.223 665 2HE2 GLN 35 2HE2 GLN 35 -2.665 -11.546 1.661 666 1HE2 GLN 35 1HE2 GLN 35 -3.597 -12.262 2.885 667 H HIS 36 H HIS 36 -2.686 -6.549 1.641 668 HA HIS 36 HA HIS 36 -5.252 -5.164 1.613 669 1HB HIS 36 1HB HIS 36 -2.630 -4.784 3.086 670 2HB HIS 36 2HB HIS 36 -4.093 -3.866 3.446 671 HD1 HIS 36 HD1 HIS 36 -5.687 -6.753 2.646 672 HD2 HIS 36 HD2 HIS 36 -3.084 -5.910 5.792 673 HE1 HIS 36 HE1 HIS 36 -6.155 -8.474 4.444 674 H ALA 37 H ALA 37 -1.916 -3.865 1.323 675 HA ALA 37 HA ALA 37 -2.474 -1.299 0.378 676 1HB ALA 37 1HB ALA 37 -0.229 -1.669 0.742 677 2HB ALA 37 3HB ALA 37 -0.292 -3.311 0.101 678 3HB ALA 37 2HB ALA 37 -0.232 -1.935 -1.001 679 H GLN 38 H GLN 38 -2.411 -4.348 -1.454 680 HA GLN 38 HA GLN 38 -2.747 -3.150 -4.071 681 1HB GLN 38 1HB GLN 38 -2.855 -5.834 -2.776 682 2HB GLN 38 2HB GLN 38 -3.681 -5.677 -4.326 683 1HG GLN 38 1HG GLN 38 -1.383 -4.404 -4.934 684 2HG GLN 38 2HG GLN 38 -0.776 -5.514 -3.703 685 2HE2 GLN 38 2HE2 GLN 38 -2.434 -5.386 -6.860 686 1HE2 GLN 38 1HE2 GLN 38 -2.110 -6.999 -7.280 687 H ASN 39 H ASN 39 -4.937 -4.303 -1.543 688 HA ASN 39 HA ASN 39 -7.323 -3.774 -3.225 689 1HB ASN 39 1HB ASN 39 -6.622 -5.180 -0.700 690 2HB ASN 39 2HB ASN 39 -8.244 -4.491 -0.775 691 2HD2 ASN 39 2HD2 ASN 39 -6.534 -7.280 -1.500 692 1HD2 ASN 39 1HD2 ASN 39 -7.554 -7.915 -2.699 693 H LEU 40 H LEU 40 -5.361 -1.682 -2.014 694 HA LEU 40 HA LEU 40 -5.530 0.474 -1.117 695 1HB LEU 40 1HB LEU 40 -8.076 -0.233 -2.391 696 2HB LEU 40 2HB LEU 40 -8.256 1.011 -1.155 697 HG LEU 40 HG LEU 40 -5.897 1.504 -2.767 698 1HD1 LEU 40 1HD1 LEU 40 -8.511 0.973 -4.160 699 2HD1 LEU 40 2HD1 LEU 40 -7.413 2.202 -4.786 700 3HD1 LEU 40 3HD1 LEU 40 -6.880 0.526 -4.657 701 1HD2 LEU 40 1HD2 LEU 40 -8.381 2.907 -1.864 702 2HD2 LEU 40 2HD2 LEU 40 -6.693 3.369 -1.650 703 3HD2 LEU 40 3HD2 LEU 40 -7.483 3.611 -3.208 704 H GLU 41 H GLU 41 -5.953 -1.998 0.640 705 HA GLU 41 HA GLU 41 -7.832 -1.262 2.721 706 1HB GLU 41 1HB GLU 41 -5.881 -3.324 2.081 707 2HB GLU 41 2HB GLU 41 -5.803 -2.889 3.789 708 1HG GLU 41 1HG GLU 41 -8.396 -3.519 2.356 709 2HG GLU 41 2HG GLU 41 -7.459 -4.728 3.236 710 H PHE 42 H PHE 42 -4.285 -1.045 2.427 711 HA PHE 42 HA PHE 42 -2.721 0.266 3.607 712 1HB PHE 42 1HB PHE 42 -5.135 1.904 2.980 713 2HB PHE 42 2HB PHE 42 -3.918 2.629 4.032 714 HD1 PHE 42 HD1 PHE 42 -1.379 1.667 3.083 715 HD2 PHE 42 HD2 PHE 42 -4.885 2.736 0.799 716 HE1 PHE 42 HE1 PHE 42 0.056 2.144 1.103 717 HE2 PHE 42 HE2 PHE 42 -3.448 3.213 -1.180 718 HZ PHE 42 HZ PHE 42 -0.976 2.919 -1.025 719 H GLU 43 H GLU 43 -2.658 1.865 5.628 720 HA GLU 43 HA GLU 43 -2.815 2.148 7.943 721 1HB GLU 43 1HB GLU 43 -5.200 2.481 7.524 722 2HB GLU 43 2HB GLU 43 -5.464 0.743 7.437 723 1HG GLU 43 1HG GLU 43 -4.527 0.606 9.797 724 2HG GLU 43 2HG GLU 43 -4.664 2.364 9.852 725 H GLU 44 H GLU 44 -4.278 -0.987 7.208 726 HA GLU 44 HA GLU 44 -2.725 -2.324 9.314 727 1HB GLU 44 2HB GLU 44 -4.062 -4.260 8.626 728 2HB GLU 44 1HB GLU 44 -5.106 -2.844 8.741 729 1HG GLU 44 1HG GLU 44 -5.024 -2.527 6.327 730 2HG GLU 44 2HG GLU 44 -3.856 -3.839 6.163 731 H ALA 45 H ALA 45 -2.633 -1.939 5.810 732 HA ALA 45 HA ALA 45 -0.673 -4.067 5.372 733 1HB ALA 45 1HB ALA 45 -2.518 -2.816 3.866 734 2HB ALA 45 2HB ALA 45 -1.099 -3.590 3.160 735 3HB ALA 45 3HB ALA 45 -1.109 -1.847 3.434 736 H ALA 46 H ALA 46 -0.549 -0.481 5.316 737 HA ALA 46 HA ALA 46 2.280 -0.355 4.787 738 1HB ALA 46 1HB ALA 46 1.935 1.961 4.992 739 2HB ALA 46 3HB ALA 46 0.671 1.757 6.208 740 3HB ALA 46 2HB ALA 46 0.345 1.364 4.519 741 H GLN 47 H GLN 47 0.472 -0.920 7.705 742 HA GLN 47 HA GLN 47 2.581 -0.027 9.532 743 1HB GLN 47 1HB GLN 47 -0.138 -1.053 9.589 744 2HB GLN 47 2HB GLN 47 0.857 -1.829 10.816 745 1HG GLN 47 1HG GLN 47 -0.221 0.255 11.657 746 2HG GLN 47 2HG GLN 47 1.539 0.346 11.697 747 2HE2 GLN 47 2HE2 GLN 47 2.293 2.316 10.927 748 1HE2 GLN 47 1HE2 GLN 47 1.552 3.243 9.715 749 H ILE 48 H ILE 48 1.297 -3.230 8.531 750 HA ILE 48 HA ILE 48 3.087 -4.905 9.905 751 HB ILE 48 HB ILE 48 1.885 -5.103 7.122 752 1HG1 ILE 48 1HG1 ILE 48 0.989 -6.300 9.762 753 2HG1 ILE 48 2HG1 ILE 48 0.316 -4.825 9.068 754 1HG2 ILE 48 1HG2 ILE 48 3.495 -7.009 8.765 755 2HG2 ILE 48 2HG2 ILE 48 2.125 -7.658 7.864 756 3HG2 ILE 48 3HG2 ILE 48 3.422 -6.822 7.012 757 1HD1 ILE 48 1HD1 ILE 48 0.387 -6.972 7.109 758 2HD1 ILE 48 2HD1 ILE 48 -0.530 -7.441 8.540 759 3HD1 ILE 48 3HD1 ILE 48 -0.980 -5.993 7.640 760 H ARG 49 H ARG 49 3.583 -2.962 7.017 761 HA ARG 49 HA ARG 49 5.994 -4.060 6.019 762 1HB ARG 49 1HB ARG 49 4.844 -2.416 4.758 763 2HB ARG 49 2HB ARG 49 4.713 -1.325 6.131 764 1HG ARG 49 1HG ARG 49 7.501 -1.837 5.570 765 2HG ARG 49 2HG ARG 49 6.684 -1.308 4.100 766 1HD ARG 49 1HD ARG 49 7.561 0.613 5.465 767 2HD ARG 49 2HD ARG 49 5.798 0.669 5.269 768 HE ARG 49 HE ARG 49 5.642 -0.411 7.544 769 1HH1 ARG 49 1HH1 ARG 49 8.871 -0.472 7.048 770 2HH1 ARG 49 2HH1 ARG 49 9.322 0.496 8.412 771 1HH2 ARG 49 1HH2 ARG 49 6.083 1.531 9.086 772 2HH2 ARG 49 2HH2 ARG 49 7.744 1.630 9.565 773 H ASP 50 H ASP 50 5.343 -2.212 8.914 774 HA ASP 50 HA ASP 50 8.118 -1.420 9.395 775 1HB ASP 50 1HB ASP 50 5.922 -0.310 10.167 776 2HB ASP 50 2HB ASP 50 5.837 -1.591 11.375 777 H GLN 51 H GLN 51 5.949 -4.035 10.418 778 HA GLN 51 HA GLN 51 7.697 -5.144 12.432 779 1HB GLN 51 2HB GLN 51 5.519 -6.396 10.722 780 2HB GLN 51 1HB GLN 51 6.143 -7.056 12.235 781 1HG GLN 51 1HG GLN 51 5.223 -5.304 13.520 782 2HG GLN 51 2HG GLN 51 5.013 -4.263 12.112 783 2HE2 GLN 51 2HE2 GLN 51 4.126 -7.708 12.130 784 1HE2 GLN 51 1HE2 GLN 51 2.452 -7.452 12.006 785 H LEU 52 H LEU 52 7.199 -5.824 8.964 786 HA LEU 52 HA LEU 52 8.833 -8.107 8.681 787 1HB LEU 52 1HB LEU 52 7.662 -5.989 7.058 788 2HB LEU 52 2HB LEU 52 9.216 -6.512 6.405 789 HG LEU 52 HG LEU 52 7.365 -7.866 5.487 790 1HD1 LEU 52 1HD1 LEU 52 9.619 -8.917 7.037 791 2HD1 LEU 52 2HD1 LEU 52 8.319 -10.091 6.838 792 3HD1 LEU 52 3HD1 LEU 52 9.067 -9.357 5.421 793 1HD2 LEU 52 1HD2 LEU 52 5.983 -7.590 7.640 794 2HD2 LEU 52 2HD2 LEU 52 5.940 -9.177 6.872 795 3HD2 LEU 52 3HD2 LEU 52 6.950 -8.911 8.294 796 H HIS 53 H HIS 53 9.729 -4.667 8.787 797 HA HIS 53 HA HIS 53 12.497 -4.984 8.100 798 1HB HIS 53 1HB HIS 53 10.647 -2.968 9.129 799 2HB HIS 53 2HB HIS 53 12.264 -2.791 9.811 800 HD1 HIS 53 HD1 HIS 53 12.889 -0.726 8.399 801 HD2 HIS 53 HD2 HIS 53 11.792 -4.024 6.098 802 HE1 HIS 53 HE1 HIS 53 13.521 -0.174 6.010 803 H GLN 54 H GLN 54 10.962 -4.551 11.318 804 HA GLN 54 HA GLN 54 13.286 -4.974 12.889 805 1HB GLN 54 1HB GLN 54 10.316 -5.330 13.252 806 2HB GLN 54 2HB GLN 54 11.421 -5.773 14.555 807 1HG GLN 54 1HG GLN 54 12.296 -3.255 13.623 808 2HG GLN 54 2HG GLN 54 10.540 -3.143 13.748 809 2HE2 GLN 54 2HE2 GLN 54 10.489 -1.884 15.703 810 1HE2 GLN 54 1HE2 GLN 54 11.039 -2.486 17.191 811 H LEU 55 H LEU 55 10.908 -7.311 11.619 812 HA LEU 55 HA LEU 55 11.812 -9.657 12.902 813 1HB LEU 55 1HB LEU 55 10.382 -8.891 10.416 814 2HB LEU 55 2HB LEU 55 11.051 -10.523 10.437 815 HG LEU 55 HG LEU 55 9.734 -9.821 12.953 816 1HD1 LEU 55 1HD1 LEU 55 8.367 -9.295 10.385 817 2HD1 LEU 55 2HD1 LEU 55 7.469 -10.320 11.506 818 3HD1 LEU 55 3HD1 LEU 55 7.986 -8.709 12.005 819 1HD2 LEU 55 1HD2 LEU 55 9.577 -12.040 10.902 820 2HD2 LEU 55 2HD2 LEU 55 10.293 -12.099 12.513 821 3HD2 LEU 55 3HD2 LEU 55 8.540 -12.008 12.328 822 H ARG 56 H ARG 56 13.209 -7.863 10.214 823 HA ARG 56 HA ARG 56 14.943 -9.828 9.124 824 1HB ARG 56 1HB ARG 56 14.408 -7.516 8.267 825 2HB ARG 56 2HB ARG 56 15.461 -6.864 9.522 826 1HG ARG 56 1HG ARG 56 17.227 -8.533 8.543 827 2HG ARG 56 2HG ARG 56 16.189 -8.514 7.117 828 1HD ARG 56 1HD ARG 56 16.327 -5.976 7.167 829 2HD ARG 56 2HD ARG 56 17.588 -6.151 8.404 830 HE ARG 56 HE ARG 56 18.398 -7.893 6.417 831 1HH1 ARG 56 1HH1 ARG 56 18.801 -4.700 7.198 832 2HH1 ARG 56 2HH1 ARG 56 19.252 -4.164 5.614 833 1HH2 ARG 56 1HH2 ARG 56 18.417 -7.157 4.075 834 2HH2 ARG 56 2HH2 ARG 56 19.034 -5.555 3.845 835 H GLU 57 H GLU 57 15.886 -7.253 11.440 836 HA GLU 57 HA GLU 57 18.406 -8.347 12.142 837 1HB GLU 57 1HB GLU 57 18.108 -6.877 14.155 838 2HB GLU 57 2HB GLU 57 17.689 -6.064 12.646 839 1HG GLU 57 1HG GLU 57 15.378 -6.217 13.059 840 2HG GLU 57 2HG GLU 57 15.582 -7.508 14.243 841 H LEU 58 H LEU 58 15.181 -9.249 13.128 842 HA LEU 58 HA LEU 58 15.769 -10.584 15.590 843 1HB LEU 58 1HB LEU 58 13.563 -9.949 14.158 844 2HB LEU 58 2HB LEU 58 13.691 -11.661 13.749 845 HG LEU 58 HG LEU 58 14.082 -11.024 16.611 846 1HD1 LEU 58 1HD1 LEU 58 12.251 -9.450 15.918 847 2HD1 LEU 58 2HD1 LEU 58 11.326 -10.844 15.357 848 3HD1 LEU 58 3HD1 LEU 58 11.722 -10.679 17.067 849 1HD2 LEU 58 1HD2 LEU 58 13.420 -13.234 14.950 850 2HD2 LEU 58 2HD2 LEU 58 13.615 -13.226 16.702 851 3HD2 LEU 58 3HD2 LEU 58 12.026 -12.942 15.990 852 H PHE 59 H PHE 59 16.435 -11.434 12.286 853 HA PHE 59 HA PHE 59 16.442 -14.221 12.231 854 1HB PHE 59 1HB PHE 59 17.029 -12.731 10.365 855 2HB PHE 59 2HB PHE 59 18.516 -12.264 11.190 856 HD1 PHE 59 HD1 PHE 59 20.220 -14.118 11.766 857 HD2 PHE 59 HD2 PHE 59 16.959 -14.660 8.987 858 HE1 PHE 59 HE1 PHE 59 21.386 -16.089 10.782 859 HE2 PHE 59 HE2 PHE 59 18.126 -16.631 8.003 860 HZ PHE 59 HZ PHE 59 20.339 -17.346 8.900 861 H ILE 60 H ILE 60 18.817 -12.076 13.782 862 HA ILE 60 HA ILE 60 20.680 -14.191 14.477 863 HB ILE 60 HB ILE 60 20.194 -11.387 15.535 864 1HG1 ILE 60 1HG1 ILE 60 22.428 -12.287 13.722 865 2HG1 ILE 60 2HG1 ILE 60 20.852 -11.862 13.053 866 1HG2 ILE 60 1HG2 ILE 60 22.512 -13.302 15.932 867 2HG2 ILE 60 2HG2 ILE 60 22.569 -11.586 16.335 868 3HG2 ILE 60 3HG2 ILE 60 21.450 -12.654 17.183 869 1HD1 ILE 60 1HD1 ILE 60 21.415 -9.803 14.859 870 2HD1 ILE 60 2HD1 ILE 60 22.954 -10.116 14.055 871 3HD1 ILE 60 3HD1 ILE 60 21.527 -9.711 13.101 872 H ALA 61 H ALA 61 17.961 -12.607 16.128 873 HA ALA 61 HA ALA 61 18.398 -13.901 18.687 874 1HB ALA 61 1HB ALA 61 17.181 -11.813 18.487 875 2HB ALA 61 3HB ALA 61 16.032 -12.540 17.364 876 3HB ALA 61 2HB ALA 61 16.048 -13.040 19.056 877 H ALA 62 H ALA 62 16.921 -14.874 15.692 878 HA ALA 62 HA ALA 62 15.396 -17.074 16.979 879 1HB ALA 62 1HB ALA 62 15.162 -17.296 14.232 880 2HB ALA 62 3HB ALA 62 14.077 -16.368 15.266 881 3HB ALA 62 2HB ALA 62 15.422 -15.566 14.455 882 H SER 63 H SER 63 17.673 -16.836 14.212 883 HA SER 63 HA SER 63 18.608 -19.604 14.861 884 1HB SER 63 1HB SER 63 17.604 -19.096 12.626 885 2HB SER 63 2HB SER 63 18.888 -17.922 12.348 886 HG SER 63 HG SER 63 19.017 -20.367 11.702 No H/Q in entry = 886 Start of MODEL 17 1 H LEU 8 H LEU 8 -30.498 16.466 -30.330 2 HA LEU 8 HA LEU 8 -32.293 15.046 -32.256 3 1HB LEU 8 1HB LEU 8 -29.529 16.099 -32.210 4 2HB LEU 8 2HB LEU 8 -29.712 14.539 -33.013 5 HG LEU 8 HG LEU 8 -31.755 15.667 -34.191 6 1HD1 LEU 8 1HD1 LEU 8 -30.149 18.039 -33.201 7 2HD1 LEU 8 2HD1 LEU 8 -31.316 18.135 -34.519 8 3HD1 LEU 8 3HD1 LEU 8 -31.853 17.702 -32.896 9 1HD2 LEU 8 1HD2 LEU 8 -29.337 15.058 -35.055 10 2HD2 LEU 8 2HD2 LEU 8 -30.382 16.088 -36.032 11 3HD2 LEU 8 3HD2 LEU 8 -29.109 16.807 -35.045 12 H GLU 9 H GLU 9 -32.678 13.863 -29.916 13 HA GLU 9 HA GLU 9 -32.419 11.854 -28.698 14 1HB GLU 9 1HB GLU 9 -32.791 11.143 -31.106 15 2HB GLU 9 2HB GLU 9 -31.039 10.995 -31.257 16 1HG GLU 9 1HG GLU 9 -31.209 9.495 -29.137 17 2HG GLU 9 2HG GLU 9 -32.922 9.383 -29.546 18 HA PRO 10 HA PRO 10 -27.814 12.816 -28.227 19 1HB PRO 10 1HB PRO 10 -27.950 14.350 -25.965 20 2HB PRO 10 2HB PRO 10 -28.021 15.034 -27.601 21 1HG PRO 10 2HG PRO 10 -30.224 14.496 -25.676 22 2HG PRO 10 1HG PRO 10 -30.011 15.847 -26.801 23 1HD PRO 10 1HD PRO 10 -31.685 13.736 -27.262 24 2HD PRO 10 2HD PRO 10 -30.936 14.704 -28.551 25 H ASP 11 H ASP 11 -30.109 12.561 -25.481 26 HA ASP 11 HA ASP 11 -30.200 11.035 -23.687 27 1HB ASP 11 1HB ASP 11 -29.301 9.644 -26.077 28 2HB ASP 11 2HB ASP 11 -28.631 8.898 -24.626 29 H ASN 12 H ASN 12 -27.028 9.973 -24.855 30 HA ASN 12 HA ASN 12 -25.614 11.528 -22.777 31 1HB ASN 12 2HB ASN 12 -24.819 9.471 -21.657 32 2HB ASN 12 1HB ASN 12 -26.580 9.567 -21.610 33 2HD2 ASN 12 2HD2 ASN 12 -27.800 8.103 -23.019 34 1HD2 ASN 12 1HD2 ASN 12 -27.062 6.749 -23.729 35 H VAL 13 H VAL 13 -25.616 10.905 -25.813 36 HA VAL 13 HA VAL 13 -22.958 9.671 -26.171 37 HB VAL 13 HB VAL 13 -25.308 10.467 -27.842 38 1HG1 VAL 13 1HG1 VAL 13 -22.466 10.435 -28.819 39 2HG1 VAL 13 2HG1 VAL 13 -23.747 9.831 -29.869 40 3HG1 VAL 13 3HG1 VAL 13 -23.793 11.497 -29.292 41 1HG2 VAL 13 1HG2 VAL 13 -23.480 8.066 -27.639 42 2HG2 VAL 13 2HG2 VAL 13 -25.143 8.194 -27.064 43 3HG2 VAL 13 3HG2 VAL 13 -24.806 8.190 -28.795 44 HA PRO 14 HA PRO 14 -21.966 14.094 -27.529 45 1HB PRO 14 1HB PRO 14 -23.859 16.049 -27.321 46 2HB PRO 14 2HB PRO 14 -23.725 14.994 -28.743 47 1HG PRO 14 2HG PRO 14 -25.714 14.985 -26.578 48 2HG PRO 14 1HG PRO 14 -25.847 14.404 -28.242 49 1HD PRO 14 1HD PRO 14 -25.446 12.845 -25.917 50 2HD PRO 14 2HD PRO 14 -25.389 12.306 -27.600 51 H MET 15 H MET 15 -24.398 14.273 -24.921 52 HA MET 15 HA MET 15 -22.872 16.199 -23.376 53 1HB MET 15 1HB MET 15 -25.477 15.291 -23.525 54 2HB MET 15 2HB MET 15 -24.912 14.590 -22.007 55 1HG MET 15 1HG MET 15 -25.423 16.618 -21.120 56 2HG MET 15 2HG MET 15 -23.902 17.136 -21.847 57 1HE MET 15 1HE MET 15 -25.726 18.841 -20.946 58 2HE MET 15 2HE MET 15 -25.519 20.057 -22.203 59 3HE MET 15 3HE MET 15 -27.122 19.406 -21.872 60 H ASP 16 H ASP 16 -20.800 15.009 -23.197 61 HA ASP 16 HA ASP 16 -20.579 13.501 -20.747 62 1HB ASP 16 1HB ASP 16 -21.670 11.927 -22.490 63 2HB ASP 16 2HB ASP 16 -20.086 11.902 -23.265 64 H MET 17 H MET 17 -19.009 15.370 -20.786 65 HA MET 17 HA MET 17 -16.467 14.609 -22.191 66 1HB MET 17 1HB MET 17 -16.065 17.100 -22.215 67 2HB MET 17 2HB MET 17 -17.467 16.597 -23.160 68 1HG MET 17 1HG MET 17 -18.972 17.209 -21.345 69 2HG MET 17 2HG MET 17 -17.603 17.591 -20.298 70 1HE MET 17 1HE MET 17 -20.290 18.956 -21.854 71 2HE MET 17 2HE MET 17 -19.870 20.311 -22.900 72 3HE MET 17 3HE MET 17 -19.686 18.650 -23.480 73 H SER 18 H SER 18 -17.996 15.432 -19.174 74 HA SER 18 HA SER 18 -17.135 15.560 -16.978 75 1HB SER 18 1HB SER 18 -14.604 14.308 -17.988 76 2HB SER 18 2HB SER 18 -15.542 13.916 -16.551 77 HG SER 18 HG SER 18 -15.729 12.948 -19.099 78 HA PRO 19 HA PRO 19 -14.482 19.041 -16.752 79 1HB PRO 19 1HB PRO 19 -13.011 18.625 -14.483 80 2HB PRO 19 2HB PRO 19 -14.732 19.062 -14.457 81 1HG PRO 19 2HG PRO 19 -13.455 16.389 -14.136 82 2HG PRO 19 1HG PRO 19 -14.835 17.090 -13.276 83 1HD PRO 19 1HD PRO 19 -15.098 15.281 -15.279 84 2HD PRO 19 2HD PRO 19 -16.319 16.525 -14.930 85 H LYS 20 H LYS 20 -13.154 15.978 -17.217 86 HA LYS 20 HA LYS 20 -11.156 15.258 -18.233 87 1HB LYS 20 1HB LYS 20 -11.854 17.416 -19.546 88 2HB LYS 20 2HB LYS 20 -10.493 18.158 -18.707 89 1HG LYS 20 1HG LYS 20 -10.306 15.611 -20.339 90 2HG LYS 20 2HG LYS 20 -9.864 17.212 -20.935 91 1HD LYS 20 1HD LYS 20 -8.456 17.180 -18.622 92 2HD LYS 20 2HD LYS 20 -8.452 15.457 -19.001 93 1HE LYS 20 1HE LYS 20 -7.603 15.992 -21.292 94 2HE LYS 20 2HE LYS 20 -7.507 17.701 -20.821 95 1HZ LYS 20 1HZ LYS 20 -6.229 15.493 -19.301 96 2HZ LYS 20 2HZ LYS 20 -5.410 16.434 -20.450 97 3HZ LYS 20 3HZ LYS 20 -6.034 17.162 -19.048 98 H ALA 21 H ALA 21 -10.112 18.412 -16.853 99 HA ALA 21 HA ALA 21 -7.623 17.538 -15.866 100 1HB ALA 21 1HB ALA 21 -7.757 19.797 -15.633 101 2HB ALA 21 2HB ALA 21 -8.506 19.461 -14.072 102 3HB ALA 21 3HB ALA 21 -9.513 19.754 -15.489 103 H LEU 22 H LEU 22 -10.589 17.991 -13.903 104 HA LEU 22 HA LEU 22 -9.678 16.705 -11.553 105 1HB LEU 22 1HB LEU 22 -11.661 17.942 -11.387 106 2HB LEU 22 2HB LEU 22 -12.311 17.288 -12.884 107 HG LEU 22 HG LEU 22 -12.761 15.146 -11.802 108 1HD1 LEU 22 1HD1 LEU 22 -11.422 16.453 -9.420 109 2HD1 LEU 22 2HD1 LEU 22 -12.378 14.975 -9.309 110 3HD1 LEU 22 3HD1 LEU 22 -10.904 15.001 -10.277 111 1HD2 LEU 22 1HD2 LEU 22 -13.783 17.691 -10.629 112 2HD2 LEU 22 2HD2 LEU 22 -14.658 16.404 -11.459 113 3HD2 LEU 22 3HD2 LEU 22 -14.180 16.200 -9.774 114 H GLN 23 H GLN 23 -11.830 15.276 -14.042 115 HA GLN 23 HA GLN 23 -11.809 12.608 -13.217 116 1HB GLN 23 1HB GLN 23 -13.177 13.497 -15.033 117 2HB GLN 23 2HB GLN 23 -11.738 13.818 -16.003 118 1HG GLN 23 1HG GLN 23 -11.341 11.542 -16.401 119 2HG GLN 23 2HG GLN 23 -12.294 11.033 -15.005 120 2HE2 GLN 23 2HE2 GLN 23 -14.167 10.016 -15.722 121 1HE2 GLN 23 1HE2 GLN 23 -15.111 10.523 -17.038 122 H GLN 24 H GLN 24 -9.400 14.254 -15.282 123 HA GLN 24 HA GLN 24 -7.764 11.933 -15.754 124 1HB GLN 24 1HB GLN 24 -7.795 14.086 -17.043 125 2HB GLN 24 2HB GLN 24 -7.022 14.876 -15.669 126 1HG GLN 24 1HG GLN 24 -5.286 14.269 -17.238 127 2HG GLN 24 2HG GLN 24 -5.157 13.189 -15.850 128 2HE2 GLN 24 2HE2 GLN 24 -5.538 10.937 -16.194 129 1HE2 GLN 24 1HE2 GLN 24 -5.890 10.280 -17.718 130 H LYS 25 H LYS 25 -7.869 14.359 -13.180 131 HA LYS 25 HA LYS 25 -5.362 13.597 -11.935 132 1HB LYS 25 1HB LYS 25 -7.554 15.465 -11.601 133 2HB LYS 25 2HB LYS 25 -7.113 14.757 -10.047 134 1HG LYS 25 2HG LYS 25 -5.564 16.458 -10.097 135 2HG LYS 25 1HG LYS 25 -4.644 15.240 -10.981 136 1HD LYS 25 1HD LYS 25 -5.209 16.189 -13.089 137 2HD LYS 25 2HD LYS 25 -6.479 17.189 -12.382 138 1HE LYS 25 1HE LYS 25 -4.948 18.699 -11.438 139 2HE LYS 25 2HE LYS 25 -3.619 17.522 -11.478 140 1HZ LYS 25 1HZ LYS 25 -4.967 18.424 -13.951 141 2HZ LYS 25 2HZ LYS 25 -3.658 19.284 -13.302 142 3HZ LYS 25 3HZ LYS 25 -3.454 17.669 -13.788 143 H ILE 26 H ILE 26 -8.795 12.897 -11.175 144 HA ILE 26 HA ILE 26 -8.421 11.263 -8.907 145 HB ILE 26 HB ILE 26 -10.415 11.107 -11.191 146 1HG1 ILE 26 1HG1 ILE 26 -10.775 12.343 -8.455 147 2HG1 ILE 26 2HG1 ILE 26 -10.140 13.269 -9.817 148 1HG2 ILE 26 1HG2 ILE 26 -10.341 9.031 -9.807 149 2HG2 ILE 26 2HG2 ILE 26 -10.634 10.012 -8.370 150 3HG2 ILE 26 3HG2 ILE 26 -11.862 9.907 -9.633 151 1HD1 ILE 26 1HD1 ILE 26 -12.599 11.699 -10.357 152 2HD1 ILE 26 2HD1 ILE 26 -12.788 13.072 -9.269 153 3HD1 ILE 26 3HD1 ILE 26 -12.155 13.318 -10.897 154 H HIS 27 H HIS 27 -8.715 10.184 -12.319 155 HA HIS 27 HA HIS 27 -8.114 7.437 -11.838 156 1HB HIS 27 1HB HIS 27 -8.033 9.350 -14.150 157 2HB HIS 27 2HB HIS 27 -7.354 7.735 -14.361 158 HD1 HIS 27 HD1 HIS 27 -10.125 7.829 -11.964 159 HD2 HIS 27 HD2 HIS 27 -9.728 7.315 -16.081 160 HE1 HIS 27 HE1 HIS 27 -12.315 6.853 -12.777 161 H GLU 28 H GLU 28 -6.063 10.259 -12.043 162 HA GLU 28 HA GLU 28 -3.586 8.780 -12.540 163 1HB GLU 28 1HB GLU 28 -4.558 11.524 -12.283 164 2HB GLU 28 2HB GLU 28 -2.997 11.302 -11.494 165 1HG GLU 28 1HG GLU 28 -3.563 10.338 -14.306 166 2HG GLU 28 2HG GLU 28 -2.886 11.929 -13.958 167 H LEU 29 H LEU 29 -4.981 10.500 -9.718 168 HA LEU 29 HA LEU 29 -2.935 9.821 -7.852 169 1HB LEU 29 1HB LEU 29 -5.784 10.707 -7.822 170 2HB LEU 29 2HB LEU 29 -5.124 10.083 -6.310 171 HG LEU 29 HG LEU 29 -3.108 11.666 -6.833 172 1HD1 LEU 29 1HD1 LEU 29 -3.975 12.191 -9.138 173 2HD1 LEU 29 2HD1 LEU 29 -5.325 13.038 -8.383 174 3HD1 LEU 29 3HD1 LEU 29 -3.676 13.621 -8.150 175 1HD2 LEU 29 1HD2 LEU 29 -5.763 12.170 -5.637 176 2HD2 LEU 29 2HD2 LEU 29 -4.156 12.411 -4.951 177 3HD2 LEU 29 3HD2 LEU 29 -4.847 13.626 -6.026 178 H GLU 30 H GLU 30 -6.012 8.170 -8.630 179 HA GLU 30 HA GLU 30 -5.909 6.088 -6.727 180 1HB GLU 30 1HB GLU 30 -7.538 6.861 -8.753 181 2HB GLU 30 2HB GLU 30 -6.790 5.445 -9.494 182 1HG GLU 30 1HG GLU 30 -7.324 4.361 -7.121 183 2HG GLU 30 2HG GLU 30 -8.565 5.614 -7.093 184 H GLY 31 H GLY 31 -4.506 6.173 -10.021 185 1HA GLY 31 2HA GLY 31 -2.891 4.786 -11.018 186 2HA GLY 31 1HA GLY 31 -3.332 3.547 -9.841 187 H LEU 32 H LEU 32 -2.274 6.765 -8.901 188 HA LEU 32 HA LEU 32 0.521 6.153 -8.541 189 1HB LEU 32 1HB LEU 32 -0.815 8.396 -8.674 190 2HB LEU 32 2HB LEU 32 -1.053 8.167 -6.940 191 HG LEU 32 HG LEU 32 1.486 7.836 -6.795 192 1HD1 LEU 32 1HD1 LEU 32 1.212 8.007 -9.599 193 2HD1 LEU 32 2HD1 LEU 32 2.008 9.499 -9.101 194 3HD1 LEU 32 3HD1 LEU 32 2.714 7.940 -8.680 195 1HD2 LEU 32 1HD2 LEU 32 -0.027 10.012 -6.421 196 2HD2 LEU 32 2HD2 LEU 32 1.731 10.082 -6.304 197 3HD2 LEU 32 3HD2 LEU 32 0.924 10.600 -7.785 198 H MET 33 H MET 33 -2.345 5.600 -6.600 199 HA MET 33 HA MET 33 -1.124 5.276 -4.032 200 1HB MET 33 1HB MET 33 -3.656 4.912 -5.344 201 2HB MET 33 2HB MET 33 -3.319 3.489 -4.358 202 1HG MET 33 1HG MET 33 -3.566 4.634 -2.420 203 2HG MET 33 2HG MET 33 -2.646 6.013 -3.019 204 1HE MET 33 1HE MET 33 -5.600 4.000 -2.888 205 2HE MET 33 2HE MET 33 -6.440 5.203 -1.913 206 3HE MET 33 3HE MET 33 -6.962 4.882 -3.572 207 H MET 34 H MET 34 -2.198 2.705 -6.295 208 HA MET 34 HA MET 34 -0.879 0.559 -4.963 209 1HB MET 34 1HB MET 34 -2.701 0.607 -6.791 210 2HB MET 34 2HB MET 34 -1.372 0.773 -7.939 211 1HG MET 34 2HG MET 34 -1.906 -1.585 -7.734 212 2HG MET 34 1HG MET 34 -0.348 -1.300 -6.958 213 1HE MET 34 1HE MET 34 -4.065 -1.412 -6.619 214 2HE MET 34 2HE MET 34 -4.423 -1.815 -4.934 215 3HE MET 34 3HE MET 34 -3.878 -0.194 -5.360 216 H GLN 35 H GLN 35 0.266 2.890 -7.356 217 HA GLN 35 HA GLN 35 2.599 1.671 -8.319 218 1HB GLN 35 1HB GLN 35 1.741 3.822 -9.080 219 2HB GLN 35 2HB GLN 35 2.037 4.539 -7.496 220 1HG GLN 35 2HG GLN 35 4.073 5.136 -8.258 221 2HG GLN 35 1HG GLN 35 4.498 3.425 -8.230 222 2HE2 GLN 35 2HE2 GLN 35 2.483 5.511 -10.395 223 1HE2 GLN 35 1HE2 GLN 35 3.180 4.936 -11.832 224 H HIS 36 H HIS 36 2.881 4.172 -5.791 225 HA HIS 36 HA HIS 36 5.383 3.332 -4.796 226 1HB HIS 36 1HB HIS 36 3.031 4.876 -3.737 227 2HB HIS 36 2HB HIS 36 4.402 4.552 -2.675 228 HD1 HIS 36 HD1 HIS 36 3.386 7.305 -4.320 229 HD2 HIS 36 HD2 HIS 36 6.849 5.041 -4.835 230 HE1 HIS 36 HE1 HIS 36 5.075 8.823 -5.440 231 H ALA 37 H ALA 37 2.111 2.479 -3.604 232 HA ALA 37 HA ALA 37 2.786 0.880 -1.392 233 1HB ALA 37 1HB ALA 37 0.644 -0.412 -2.431 234 2HB ALA 37 2HB ALA 37 0.514 1.161 -1.643 235 3HB ALA 37 3HB ALA 37 0.594 1.061 -3.402 236 H GLN 38 H GLN 38 2.670 -0.019 -4.850 237 HA GLN 38 HA GLN 38 3.175 -2.801 -4.601 238 1HB GLN 38 1HB GLN 38 3.280 -0.680 -6.610 239 2HB GLN 38 2HB GLN 38 4.510 -1.913 -6.891 240 1HG GLN 38 1HG GLN 38 2.189 -3.334 -6.190 241 2HG GLN 38 2HG GLN 38 1.644 -2.072 -7.295 242 2HE2 GLN 38 2HE2 GLN 38 1.719 -4.881 -8.021 243 1HE2 GLN 38 1HE2 GLN 38 2.862 -5.060 -9.263 244 H ASN 39 H ASN 39 5.369 -0.018 -4.572 245 HA ASN 39 HA ASN 39 7.747 -1.770 -4.318 246 1HB ASN 39 1HB ASN 39 7.345 1.242 -4.373 247 2HB ASN 39 2HB ASN 39 8.913 0.434 -4.404 248 2HD2 ASN 39 2HD2 ASN 39 5.953 1.004 -6.292 249 1HD2 ASN 39 1HD2 ASN 39 6.600 0.495 -7.776 250 H LEU 40 H LEU 40 5.470 -1.288 -2.212 251 HA LEU 40 HA LEU 40 5.330 -1.112 0.121 252 1HB LEU 40 1HB LEU 40 8.172 -1.950 -0.447 253 2HB LEU 40 2HB LEU 40 7.609 -1.739 1.211 254 HG LEU 40 HG LEU 40 5.618 -3.252 0.478 255 1HD1 LEU 40 1HD1 LEU 40 7.614 -3.589 -1.748 256 2HD1 LEU 40 2HD1 LEU 40 6.591 -4.944 -1.269 257 3HD1 LEU 40 3HD1 LEU 40 5.859 -3.447 -1.844 258 1HD2 LEU 40 1HD2 LEU 40 7.623 -3.800 2.004 259 2HD2 LEU 40 2HD2 LEU 40 6.795 -5.167 1.258 260 3HD2 LEU 40 3HD2 LEU 40 8.326 -4.594 0.595 261 H GLU 41 H GLU 41 6.170 1.303 -1.560 262 HA GLU 41 HA GLU 41 7.996 2.899 0.009 263 1HB GLU 41 1HB GLU 41 5.846 3.418 -2.051 264 2HB GLU 41 2HB GLU 41 6.753 4.745 -1.323 265 1HG GLU 41 1HG GLU 41 8.466 2.542 -2.229 266 2HG GLU 41 2HG GLU 41 7.553 3.293 -3.539 267 H PHE 42 H PHE 42 4.450 2.652 -0.134 268 HA PHE 42 HA PHE 42 2.787 3.412 1.354 269 1HB PHE 42 1HB PHE 42 5.125 2.451 2.980 270 2HB PHE 42 2HB PHE 42 3.704 3.100 3.802 271 HD1 PHE 42 HD1 PHE 42 1.454 2.260 2.187 272 HD2 PHE 42 HD2 PHE 42 5.071 0.102 3.138 273 HE1 PHE 42 HE1 PHE 42 0.258 0.102 1.836 274 HE2 PHE 42 HE2 PHE 42 3.874 -2.057 2.788 275 HZ PHE 42 HZ PHE 42 1.467 -2.054 2.139 276 H GLU 43 H GLU 43 2.572 4.909 3.429 277 HA GLU 43 HA GLU 43 2.668 7.054 4.356 278 1HB GLU 43 1HB GLU 43 5.035 6.552 4.733 279 2HB GLU 43 2HB GLU 43 5.421 6.959 3.065 280 1HG GLU 43 1HG GLU 43 4.472 9.264 3.516 281 2HG GLU 43 2HG GLU 43 4.431 8.824 5.224 282 H GLU 44 H GLU 44 4.367 7.214 1.258 283 HA GLU 44 HA GLU 44 2.874 9.609 0.443 284 1HB GLU 44 2HB GLU 44 4.360 9.481 -1.503 285 2HB GLU 44 1HB GLU 44 5.296 9.204 -0.035 286 1HG GLU 44 1HG GLU 44 5.267 6.805 -0.400 287 2HG GLU 44 2HG GLU 44 4.170 6.987 -1.769 288 H ALA 45 H ALA 45 2.853 6.135 -0.204 289 HA ALA 45 HA ALA 45 1.029 6.328 -2.485 290 1HB ALA 45 1HB ALA 45 1.331 3.797 -0.981 291 2HB ALA 45 3HB ALA 45 2.839 4.525 -1.533 292 3HB ALA 45 2HB ALA 45 1.578 4.121 -2.697 293 H ALA 46 H ALA 46 0.720 5.298 0.931 294 HA ALA 46 HA ALA 46 -2.129 4.762 0.676 295 1HB ALA 46 1HB ALA 46 -0.485 5.191 3.180 296 2HB ALA 46 3HB ALA 46 -0.430 3.698 2.239 297 3HB ALA 46 2HB ALA 46 -1.938 4.204 3.000 298 H GLN 47 H GLN 47 -0.246 7.617 1.336 299 HA GLN 47 HA GLN 47 -2.254 9.057 2.847 300 1HB GLN 47 1HB GLN 47 0.295 9.594 1.410 301 2HB GLN 47 2HB GLN 47 -0.760 10.980 1.683 302 1HG GLN 47 1HG GLN 47 0.147 9.054 3.843 303 2HG GLN 47 2HG GLN 47 0.852 10.646 3.553 304 2HE2 GLN 47 2HE2 GLN 47 -0.719 12.544 3.736 305 1HE2 GLN 47 1HE2 GLN 47 -2.003 12.415 4.838 306 H ILE 48 H ILE 48 -1.510 8.743 -0.617 307 HA ILE 48 HA ILE 48 -3.106 10.776 -1.714 308 HB ILE 48 HB ILE 48 -2.625 7.914 -2.611 309 1HG1 ILE 48 1HG1 ILE 48 -1.255 10.404 -3.619 310 2HG1 ILE 48 2HG1 ILE 48 -0.682 9.596 -2.159 311 1HG2 ILE 48 1HG2 ILE 48 -4.536 8.947 -3.802 312 2HG2 ILE 48 2HG2 ILE 48 -3.522 10.329 -4.215 313 3HG2 ILE 48 3HG2 ILE 48 -3.150 8.735 -4.871 314 1HD1 ILE 48 1HD1 ILE 48 -1.141 8.082 -4.731 315 2HD1 ILE 48 2HD1 ILE 48 0.395 8.877 -4.384 316 3HD1 ILE 48 3HD1 ILE 48 -0.192 7.591 -3.328 317 H ARG 49 H ARG 49 -4.077 7.745 -0.222 318 HA ARG 49 HA ARG 49 -6.722 7.451 -1.154 319 1HB ARG 49 1HB ARG 49 -5.734 5.769 0.203 320 2HB ARG 49 2HB ARG 49 -5.287 6.923 1.453 321 1HG ARG 49 1HG ARG 49 -8.145 6.989 1.088 322 2HG ARG 49 2HG ARG 49 -7.624 5.323 1.334 323 1HD ARG 49 1HD ARG 49 -8.111 6.518 3.494 324 2HD ARG 49 2HD ARG 49 -6.427 5.968 3.384 325 HE ARG 49 HE ARG 49 -5.825 8.297 2.679 326 1HH1 ARG 49 1HH1 ARG 49 -9.145 8.287 2.828 327 2HH1 ARG 49 2HH1 ARG 49 -9.296 9.653 3.881 328 1HH2 ARG 49 1HH2 ARG 49 -5.904 9.813 4.590 329 2HH2 ARG 49 2HH2 ARG 49 -7.460 10.518 4.879 330 H ASP 50 H ASP 50 -5.337 9.853 0.976 331 HA ASP 50 HA ASP 50 -7.882 10.767 2.094 332 1HB ASP 50 1HB ASP 50 -5.392 10.919 2.948 333 2HB ASP 50 2HB ASP 50 -5.346 12.378 1.958 334 H GLN 51 H GLN 51 -5.800 11.627 -0.633 335 HA GLN 51 HA GLN 51 -7.275 14.075 -1.276 336 1HB GLN 51 2HB GLN 51 -5.307 12.405 -2.878 337 2HB GLN 51 1HB GLN 51 -5.748 14.083 -3.200 338 1HG GLN 51 1HG GLN 51 -4.762 14.819 -1.128 339 2HG GLN 51 2HG GLN 51 -4.509 13.156 -0.596 340 2HE2 GLN 51 2HE2 GLN 51 -3.817 14.777 -3.748 341 1HE2 GLN 51 1HE2 GLN 51 -2.175 14.346 -3.773 342 H LEU 52 H LEU 52 -7.020 10.795 -2.691 343 HA LEU 52 HA LEU 52 -8.848 11.156 -4.839 344 1HB LEU 52 1HB LEU 52 -7.209 9.211 -4.002 345 2HB LEU 52 2HB LEU 52 -8.713 8.572 -3.336 346 HG LEU 52 HG LEU 52 -8.341 7.698 -5.605 347 1HD1 LEU 52 1HD1 LEU 52 -10.664 8.532 -4.653 348 2HD1 LEU 52 2HD1 LEU 52 -10.523 9.727 -5.943 349 3HD1 LEU 52 3HD1 LEU 52 -10.527 8.006 -6.331 350 1HD2 LEU 52 1HD2 LEU 52 -7.098 9.953 -6.209 351 2HD2 LEU 52 2HD2 LEU 52 -7.947 9.050 -7.463 352 3HD2 LEU 52 3HD2 LEU 52 -8.705 10.461 -6.724 353 H HIS 53 H HIS 53 -9.393 10.291 -1.433 354 HA HIS 53 HA HIS 53 -12.121 9.553 -1.545 355 1HB HIS 53 1HB HIS 53 -10.382 9.555 0.372 356 2HB HIS 53 2HB HIS 53 -10.869 11.228 0.638 357 HD1 HIS 53 HD1 HIS 53 -13.678 11.459 0.755 358 HD2 HIS 53 HD2 HIS 53 -11.955 7.814 1.815 359 HE1 HIS 53 HE1 HIS 53 -15.409 10.222 2.130 360 H GLN 54 H GLN 54 -10.738 12.809 -0.942 361 HA GLN 54 HA GLN 54 -13.325 14.129 -1.037 362 1HB GLN 54 1HB GLN 54 -10.836 14.692 -0.083 363 2HB GLN 54 2HB GLN 54 -10.827 15.638 -1.573 364 1HG GLN 54 1HG GLN 54 -13.217 15.776 0.238 365 2HG GLN 54 2HG GLN 54 -11.773 16.703 0.643 366 2HE2 GLN 54 2HE2 GLN 54 -11.565 18.704 -0.387 367 1HE2 GLN 54 1HE2 GLN 54 -12.441 19.181 -1.761 368 H LEU 55 H LEU 55 -10.679 13.602 -3.353 369 HA LEU 55 HA LEU 55 -11.658 15.316 -5.435 370 1HB LEU 55 1HB LEU 55 -9.696 13.146 -5.027 371 2HB LEU 55 2HB LEU 55 -10.281 13.292 -6.685 372 HG LEU 55 HG LEU 55 -9.444 15.758 -5.188 373 1HD1 LEU 55 1HD1 LEU 55 -7.701 13.686 -5.328 374 2HD1 LEU 55 2HD1 LEU 55 -7.420 14.425 -6.904 375 3HD1 LEU 55 3HD1 LEU 55 -7.200 15.374 -5.433 376 1HD2 LEU 55 1HD2 LEU 55 -9.712 14.856 -8.051 377 2HD2 LEU 55 2HD2 LEU 55 -10.428 16.263 -7.266 378 3HD2 LEU 55 3HD2 LEU 55 -8.706 16.245 -7.643 379 H ARG 56 H ARG 56 -12.350 11.944 -4.574 380 HA ARG 56 HA ARG 56 -13.692 11.060 -6.886 381 1HB ARG 56 1HB ARG 56 -13.135 9.685 -4.923 382 2HB ARG 56 2HB ARG 56 -14.298 10.584 -3.947 383 1HG ARG 56 1HG ARG 56 -16.027 9.875 -5.755 384 2HG ARG 56 2HG ARG 56 -14.826 8.666 -6.210 385 1HD ARG 56 1HD ARG 56 -14.865 7.681 -4.003 386 2HD ARG 56 2HD ARG 56 -15.866 9.006 -3.377 387 HE ARG 56 HE ARG 56 -17.742 8.128 -4.592 388 1HH1 ARG 56 1HH1 ARG 56 -17.640 7.209 -7.019 389 2HH1 ARG 56 2HH1 ARG 56 -17.149 5.548 -7.016 390 1HH2 ARG 56 1HH2 ARG 56 -15.877 5.651 -3.792 391 2HH2 ARG 56 2HH2 ARG 56 -16.152 4.667 -5.190 392 H GLU 57 H GLU 57 -15.218 12.557 -3.998 393 HA GLU 57 HA GLU 57 -17.826 12.830 -5.103 394 1HB GLU 57 2HB GLU 57 -16.392 14.610 -3.104 395 2HB GLU 57 1HB GLU 57 -18.136 14.388 -3.245 396 1HG GLU 57 1HG GLU 57 -17.599 11.858 -2.889 397 2HG GLU 57 2HG GLU 57 -16.064 12.447 -2.250 398 H LEU 58 H LEU 58 -15.013 15.005 -5.191 399 HA LEU 58 HA LEU 58 -16.176 17.322 -6.284 400 1HB LEU 58 1HB LEU 58 -13.624 16.227 -5.794 401 2HB LEU 58 2HB LEU 58 -13.620 16.675 -7.500 402 HG LEU 58 HG LEU 58 -14.897 18.721 -5.870 403 1HD1 LEU 58 1HD1 LEU 58 -12.184 17.697 -5.088 404 2HD1 LEU 58 2HD1 LEU 58 -12.517 19.425 -4.988 405 3HD1 LEU 58 3HD1 LEU 58 -13.491 18.285 -4.060 406 1HD2 LEU 58 1HD2 LEU 58 -13.994 18.891 -8.229 407 2HD2 LEU 58 2HD2 LEU 58 -13.430 20.161 -7.142 408 3HD2 LEU 58 3HD2 LEU 58 -12.370 18.810 -7.546 409 H PHE 59 H PHE 59 -15.639 14.209 -7.774 410 HA PHE 59 HA PHE 59 -15.509 14.811 -10.513 411 1HB PHE 59 1HB PHE 59 -15.461 12.579 -9.232 412 2HB PHE 59 2HB PHE 59 -17.224 12.631 -9.305 413 HD1 PHE 59 HD1 PHE 59 -14.204 12.974 -11.524 414 HD2 PHE 59 HD2 PHE 59 -18.327 11.742 -11.177 415 HE1 PHE 59 HE1 PHE 59 -14.135 12.089 -13.854 416 HE2 PHE 59 HE2 PHE 59 -18.258 10.857 -13.507 417 HZ PHE 59 HZ PHE 59 -16.163 11.030 -14.845 418 H ILE 60 H ILE 60 -18.502 14.251 -8.609 419 HA ILE 60 HA ILE 60 -20.221 15.168 -10.781 420 HB ILE 60 HB ILE 60 -20.724 14.668 -7.828 421 1HG1 ILE 60 1HG1 ILE 60 -21.649 12.690 -9.786 422 2HG1 ILE 60 2HG1 ILE 60 -19.894 12.867 -9.769 423 1HG2 ILE 60 1HG2 ILE 60 -22.401 15.661 -9.955 424 2HG2 ILE 60 2HG2 ILE 60 -22.982 14.081 -9.432 425 3HG2 ILE 60 3HG2 ILE 60 -22.812 15.389 -8.261 426 1HD1 ILE 60 1HD1 ILE 60 -21.291 12.714 -7.135 427 2HD1 ILE 60 2HD1 ILE 60 -21.146 11.226 -8.071 428 3HD1 ILE 60 3HD1 ILE 60 -19.698 12.114 -7.597 429 H ALA 61 H ALA 61 -19.005 16.552 -7.733 430 HA ALA 61 HA ALA 61 -20.541 18.921 -7.630 431 1HB ALA 61 1HB ALA 61 -17.641 19.048 -6.966 432 2HB ALA 61 2HB ALA 61 -19.038 19.458 -5.971 433 3HB ALA 61 3HB ALA 61 -18.568 17.770 -6.180 434 H ALA 62 H ALA 62 -17.967 18.018 -9.809 435 HA ALA 62 HA ALA 62 -17.668 20.823 -10.773 436 1HB ALA 62 1HB ALA 62 -15.991 18.554 -10.429 437 2HB ALA 62 3HB ALA 62 -16.086 18.858 -12.163 438 3HB ALA 62 2HB ALA 62 -15.539 20.132 -11.072 439 H SER 63 H SER 63 -17.671 17.701 -12.511 440 HA SER 63 HA SER 63 -19.939 18.644 -14.197 441 1HB SER 63 1HB SER 63 -17.169 18.800 -14.868 442 2HB SER 63 2HB SER 63 -17.887 17.545 -15.875 443 HG SER 63 HG SER 63 -18.030 20.095 -16.267 444 H LEU 8 H LEU 8 30.033 -34.303 6.474 445 HA LEU 8 HA LEU 8 31.769 -35.767 4.528 446 1HB LEU 8 1HB LEU 8 29.020 -35.983 5.600 447 2HB LEU 8 2HB LEU 8 29.164 -36.304 3.872 448 HG LEU 8 HG LEU 8 31.199 -37.790 4.574 449 1HD1 LEU 8 1HD1 LEU 8 29.646 -37.502 7.161 450 2HD1 LEU 8 2HD1 LEU 8 30.788 -38.809 6.850 451 3HD1 LEU 8 3HD1 LEU 8 31.350 -37.138 6.894 452 1HD2 LEU 8 1HD2 LEU 8 28.756 -38.403 3.787 453 2HD2 LEU 8 2HD2 LEU 8 29.794 -39.652 4.473 454 3HD2 LEU 8 3HD2 LEU 8 28.551 -38.894 5.469 455 H GLU 9 H GLU 9 32.185 -33.191 4.062 456 HA GLU 9 HA GLU 9 31.923 -31.442 2.494 457 1HB GLU 9 1HB GLU 9 32.236 -33.548 1.113 458 2HB GLU 9 2HB GLU 9 30.480 -33.623 0.960 459 1HG GLU 9 1HG GLU 9 30.672 -31.164 0.131 460 2HG GLU 9 2HG GLU 9 32.375 -31.548 -0.126 461 HA PRO 10 HA PRO 10 27.343 -31.196 3.637 462 1HB PRO 10 1HB PRO 10 27.545 -29.475 5.756 463 2HB PRO 10 2HB PRO 10 27.593 -31.241 5.938 464 1HG PRO 10 2HG PRO 10 29.827 -29.276 5.935 465 2HG PRO 10 1HG PRO 10 29.610 -30.739 6.908 466 1HD PRO 10 1HD PRO 10 31.245 -30.598 4.723 467 2HD PRO 10 2HD PRO 10 30.483 -32.099 5.294 468 H ASP 11 H ASP 11 29.690 -28.529 4.141 469 HA ASP 11 HA ASP 11 29.796 -26.373 3.196 470 1HB ASP 11 1HB ASP 11 28.829 -28.246 1.192 471 2HB ASP 11 2HB ASP 11 28.180 -26.631 0.908 472 H ASN 12 H ASN 12 26.587 -27.135 1.902 473 HA ASN 12 HA ASN 12 25.237 -25.572 4.017 474 1HB ASN 12 2HB ASN 12 24.437 -23.895 2.385 475 2HB ASN 12 1HB ASN 12 26.200 -23.905 2.457 476 2HD2 ASN 12 2HD2 ASN 12 27.372 -24.851 0.625 477 1HD2 ASN 12 1HD2 ASN 12 26.599 -25.129 -0.860 478 H VAL 13 H VAL 13 25.169 -28.299 2.545 479 HA VAL 13 HA VAL 13 22.488 -28.244 1.310 480 HB VAL 13 HB VAL 13 24.814 -30.112 1.546 481 1HG1 VAL 13 1HG1 VAL 13 21.951 -30.992 1.291 482 2HG1 VAL 13 2HG1 VAL 13 23.201 -31.844 0.384 483 3HG1 VAL 13 3HG1 VAL 13 23.283 -31.772 2.145 484 1HG2 VAL 13 1HG2 VAL 13 22.957 -29.195 -0.658 485 2HG2 VAL 13 2HG2 VAL 13 24.633 -28.708 -0.402 486 3HG2 VAL 13 3HG2 VAL 13 24.260 -30.359 -0.897 487 HA PRO 14 HA PRO 14 21.530 -30.805 5.174 488 1HB PRO 14 1HB PRO 14 23.451 -31.199 7.069 489 2HB PRO 14 2HB PRO 14 23.274 -32.254 5.653 490 1HG PRO 14 2HG PRO 14 25.308 -30.210 6.230 491 2HG PRO 14 1HG PRO 14 25.398 -31.637 5.191 492 1HD PRO 14 1HD PRO 14 25.022 -28.956 4.376 493 2HD PRO 14 2HD PRO 14 24.925 -30.410 3.377 494 H MET 15 H MET 15 24.015 -28.398 6.051 495 HA MET 15 HA MET 15 22.548 -27.450 8.369 496 1HB MET 15 1HB MET 15 25.136 -27.371 7.407 497 2HB MET 15 2HB MET 15 24.594 -25.707 7.184 498 1HG MET 15 1HG MET 15 25.150 -25.451 9.371 499 2HG MET 15 2HG MET 15 23.622 -26.272 9.688 500 1HE MET 15 1HE MET 15 25.486 -25.930 11.544 501 2HE MET 15 2HE MET 15 25.272 -27.482 12.350 502 3HE MET 15 3HE MET 15 26.872 -27.001 11.791 503 H ASP 16 H ASP 16 20.464 -26.903 7.320 504 HA ASP 16 HA ASP 16 20.273 -24.119 6.586 505 1HB ASP 16 1HB ASP 16 21.307 -25.351 4.556 506 2HB ASP 16 2HB ASP 16 19.706 -26.061 4.339 507 H MET 17 H MET 17 18.728 -24.670 8.395 508 HA MET 17 HA MET 17 16.148 -25.756 7.310 509 1HB MET 17 1HB MET 17 15.781 -26.490 9.696 510 2HB MET 17 2HB MET 17 17.155 -27.272 8.915 511 1HG MET 17 1HG MET 17 18.705 -25.735 9.996 512 2HG MET 17 2HG MET 17 17.363 -24.822 10.689 513 1HE MET 17 1HE MET 17 20.036 -26.746 11.496 514 2HE MET 17 2HE MET 17 19.613 -28.131 12.500 515 3HE MET 17 3HE MET 17 19.396 -28.206 10.746 516 H SER 18 H SER 18 17.750 -23.129 8.938 517 HA SER 18 HA SER 18 16.935 -21.050 9.709 518 1HB SER 18 1HB SER 18 14.369 -21.616 8.268 519 2HB SER 18 2HB SER 18 15.331 -20.142 8.289 520 HG SER 18 HG SER 18 15.451 -22.305 6.626 521 HA PRO 19 HA PRO 19 14.336 -21.796 13.158 522 1HB PRO 19 1HB PRO 19 12.907 -19.480 13.441 523 2HB PRO 19 2HB PRO 19 14.634 -19.608 13.834 524 1HG PRO 19 2HG PRO 19 13.327 -18.510 11.392 525 2HG PRO 19 1HG PRO 19 14.733 -17.910 12.285 526 1HD PRO 19 1HD PRO 19 14.932 -19.312 9.970 527 2HD PRO 19 2HD PRO 19 16.176 -19.355 11.239 528 H LYS 20 H LYS 20 12.957 -21.337 10.116 529 HA LYS 20 HA LYS 20 10.929 -22.070 9.172 530 1HB LYS 20 1HB LYS 20 11.629 -23.960 10.847 531 2HB LYS 20 2HB LYS 20 10.296 -23.349 11.826 532 1HG LYS 20 1HG LYS 20 10.041 -24.175 8.920 533 2HG LYS 20 2HG LYS 20 9.609 -25.200 10.289 534 1HD LYS 20 1HD LYS 20 8.248 -22.955 10.953 535 2HD LYS 20 2HD LYS 20 8.212 -22.820 9.194 536 1HE LYS 20 1HE LYS 20 7.324 -25.155 9.062 537 2HE LYS 20 2HE LYS 20 7.261 -25.195 10.836 538 1HZ LYS 20 1HZ LYS 20 5.985 -23.083 9.184 539 2HZ LYS 20 2HZ LYS 20 5.155 -24.441 9.769 540 3HZ LYS 20 3HZ LYS 20 5.818 -23.317 10.858 541 H ALA 21 H ALA 21 9.956 -21.643 12.610 542 HA ALA 21 HA ALA 21 7.477 -20.406 12.104 543 1HB ALA 21 1HB ALA 21 9.405 -20.715 14.299 544 2HB ALA 21 3HB ALA 21 7.646 -20.836 14.332 545 3HB ALA 21 2HB ALA 21 8.424 -19.256 14.445 546 H LEU 22 H LEU 22 10.488 -18.704 13.047 547 HA LEU 22 HA LEU 22 9.609 -16.069 12.511 548 1HB LEU 22 1HB LEU 22 11.611 -16.297 13.704 549 2HB LEU 22 2HB LEU 22 12.222 -17.552 12.635 550 HG LEU 22 HG LEU 22 12.664 -15.906 10.888 551 1HD1 LEU 22 1HD1 LEU 22 11.393 -13.981 12.850 552 2HD1 LEU 22 2HD1 LEU 22 12.329 -13.463 11.449 553 3HD1 LEU 22 3HD1 LEU 22 10.837 -14.376 11.223 554 1HD2 LEU 22 1HD2 LEU 22 13.745 -15.532 13.642 555 2HD2 LEU 22 2HD2 LEU 22 14.586 -15.970 12.154 556 3HD2 LEU 22 3HD2 LEU 22 14.138 -14.291 12.453 557 H GLN 23 H GLN 23 11.690 -18.073 10.383 558 HA GLN 23 HA GLN 23 11.649 -16.513 8.067 559 1HB GLN 23 1HB GLN 23 12.991 -18.531 8.370 560 2HB GLN 23 2HB GLN 23 11.537 -19.528 8.425 561 1HG GLN 23 1HG GLN 23 11.101 -19.247 6.139 562 2HG GLN 23 2HG GLN 23 12.075 -17.780 6.035 563 2HE2 GLN 23 2HE2 GLN 23 13.918 -18.202 4.819 564 1HE2 GLN 23 1HE2 GLN 23 14.843 -19.623 4.907 565 H GLN 24 H GLN 24 9.220 -18.927 9.094 566 HA GLN 24 HA GLN 24 7.543 -18.684 6.768 567 1HB GLN 24 1HB GLN 24 7.578 -20.540 8.457 568 2HB GLN 24 2HB GLN 24 6.843 -19.439 9.623 569 1HG GLN 24 2HG GLN 24 5.067 -20.741 8.624 570 2HG GLN 24 1HG GLN 24 4.952 -19.098 7.992 571 2HE2 GLN 24 2HE2 GLN 24 5.294 -18.783 5.730 572 1HE2 GLN 24 1HE2 GLN 24 5.607 -20.058 4.654 573 H LYS 25 H LYS 25 7.735 -16.921 9.830 574 HA LYS 25 HA LYS 25 5.243 -15.470 9.507 575 1HB LYS 25 1HB LYS 25 7.467 -15.725 11.349 576 2HB LYS 25 2HB LYS 25 7.049 -14.025 11.128 577 1HG LYS 25 2HG LYS 25 5.523 -14.538 12.772 578 2HG LYS 25 1HG LYS 25 4.568 -15.018 11.367 579 1HD LYS 25 1HD LYS 25 5.102 -17.319 11.660 580 2HD LYS 25 2HD LYS 25 6.400 -16.951 12.797 581 1HE LYS 25 1HE LYS 25 4.909 -16.459 14.544 582 2HE LYS 25 2HE LYS 25 3.565 -16.136 13.430 583 1HZ LYS 25 1HZ LYS 25 4.874 -18.786 13.555 584 2HZ LYS 25 2HZ LYS 25 3.590 -18.392 14.591 585 3HZ LYS 25 3HZ LYS 25 3.355 -18.387 12.907 586 H ILE 26 H ILE 26 8.681 -14.594 8.990 587 HA ILE 26 HA ILE 26 8.332 -11.946 8.086 588 HB ILE 26 HB ILE 26 10.275 -14.119 7.240 589 1HG1 ILE 26 1HG1 ILE 26 10.709 -11.863 9.205 590 2HG1 ILE 26 2HG1 ILE 26 10.059 -13.422 9.711 591 1HG2 ILE 26 1HG2 ILE 26 10.202 -12.194 5.653 592 2HG2 ILE 26 2HG2 ILE 26 10.538 -11.107 7.000 593 3HG2 ILE 26 3HG2 ILE 26 11.738 -12.303 6.513 594 1HD1 ILE 26 1HD1 ILE 26 12.484 -13.527 8.005 595 2HD1 ILE 26 2HD1 ILE 26 12.715 -12.882 9.631 596 3HD1 ILE 26 3HD1 ILE 26 12.053 -14.502 9.410 597 H HIS 27 H HIS 27 8.541 -14.907 6.065 598 HA HIS 27 HA HIS 27 7.912 -13.644 3.584 599 1HB HIS 27 1HB HIS 27 7.810 -16.407 4.751 600 2HB HIS 27 2HB HIS 27 7.104 -16.135 3.158 601 HD1 HIS 27 HD1 HIS 27 9.925 -13.909 3.886 602 HD2 HIS 27 HD2 HIS 27 9.437 -17.696 2.214 603 HE1 HIS 27 HE1 HIS 27 12.085 -14.441 2.675 604 H GLU 28 H GLU 28 5.897 -14.621 6.266 605 HA GLU 28 HA GLU 28 3.389 -14.632 4.754 606 1HB GLU 28 1HB GLU 28 4.405 -15.192 7.437 607 2HB GLU 28 2HB GLU 28 2.856 -14.348 7.481 608 1HG GLU 28 1HG GLU 28 3.352 -16.771 5.737 609 2HG GLU 28 2HG GLU 28 2.704 -16.885 7.374 610 H LEU 29 H LEU 29 4.866 -12.447 7.187 611 HA LEU 29 HA LEU 29 2.848 -10.434 7.114 612 1HB LEU 29 1HB LEU 29 5.710 -10.705 7.917 613 2HB LEU 29 2HB LEU 29 5.072 -9.067 7.767 614 HG LEU 29 HG LEU 29 3.069 -9.994 9.172 615 1HD1 LEU 29 1HD1 LEU 29 3.895 -12.365 8.992 616 2HD1 LEU 29 2HD1 LEU 29 5.272 -11.908 9.995 617 3HD1 LEU 29 3HD1 LEU 29 3.636 -11.827 10.652 618 1HD2 LEU 29 1HD2 LEU 29 5.754 -9.035 9.947 619 2HD2 LEU 29 2HD2 LEU 29 4.165 -8.422 10.405 620 3HD2 LEU 29 3HD2 LEU 29 4.850 -9.812 11.247 621 H GLU 30 H GLU 30 5.887 -10.750 5.251 622 HA GLU 30 HA GLU 30 5.794 -8.327 3.808 623 1HB GLU 30 1HB GLU 30 7.391 -10.516 3.932 624 2HB GLU 30 2HB GLU 30 6.610 -10.804 2.377 625 1HG GLU 30 1HG GLU 30 7.176 -8.229 2.013 626 2HG GLU 30 2HG GLU 30 8.435 -8.582 3.198 627 H GLY 31 H GLY 31 4.325 -11.483 2.967 628 1HA GLY 31 2HA GLY 31 2.672 -12.012 1.382 629 2HA GLY 31 1HA GLY 31 3.119 -10.536 0.527 630 H LEU 32 H LEU 32 2.125 -10.546 3.899 631 HA LEU 32 HA LEU 32 -0.670 -9.981 3.469 632 1HB LEU 32 1HB LEU 32 0.695 -10.776 5.554 633 2HB LEU 32 2HB LEU 32 0.963 -9.054 5.828 634 HG LEU 32 HG LEU 32 -1.577 -8.779 5.602 635 1HD1 LEU 32 1HD1 LEU 32 -1.356 -11.518 4.952 636 2HD1 LEU 32 2HD1 LEU 32 -2.121 -11.460 6.540 637 3HD1 LEU 32 3HD1 LEU 32 -2.841 -10.596 5.182 638 1HD2 LEU 32 1HD2 LEU 32 -0.025 -9.073 7.764 639 2HD2 LEU 32 2HD2 LEU 32 -1.780 -8.954 7.898 640 3HD2 LEU 32 3HD2 LEU 32 -0.997 -10.533 7.952 641 H MET 33 H MET 33 2.228 -8.008 3.445 642 HA MET 33 HA MET 33 1.054 -5.437 3.898 643 1HB MET 33 1HB MET 33 3.554 -6.627 3.125 644 2HB MET 33 2HB MET 33 3.218 -5.270 2.050 645 1HG MET 33 1HG MET 33 3.522 -3.746 3.698 646 2HG MET 33 2HG MET 33 2.608 -4.702 4.864 647 1HE MET 33 1HE MET 33 5.536 -4.042 2.919 648 2HE MET 33 2HE MET 33 6.411 -3.468 4.336 649 3HE MET 33 3HE MET 33 6.896 -4.973 3.542 650 H MET 34 H MET 34 2.047 -6.879 0.763 651 HA MET 34 HA MET 34 0.726 -4.965 -0.883 652 1HB MET 34 1HB MET 34 2.511 -6.757 -1.398 653 2HB MET 34 2HB MET 34 1.160 -7.883 -1.544 654 1HG MET 34 2HG MET 34 1.666 -7.016 -3.752 655 2HG MET 34 1HG MET 34 0.129 -6.331 -3.227 656 1HE MET 34 1HE MET 34 3.850 -6.031 -3.307 657 2HE MET 34 2HE MET 34 4.238 -4.308 -3.213 658 3HE MET 34 3HE MET 34 3.705 -5.176 -1.774 659 H GLN 35 H GLN 35 -0.435 -7.909 0.683 660 HA GLN 35 HA GLN 35 -2.805 -8.443 -0.717 661 1HB GLN 35 1HB GLN 35 -1.933 -9.806 1.105 662 2HB GLN 35 2HB GLN 35 -2.187 -8.492 2.255 663 1HG GLN 35 2HG GLN 35 -4.229 -9.362 2.645 664 2HG GLN 35 1HG GLN 35 -4.677 -8.835 1.023 665 2HE2 GLN 35 2HE2 GLN 35 -2.677 -11.541 2.357 666 1HE2 GLN 35 1HE2 GLN 35 -3.413 -12.739 1.407 667 H HIS 36 H HIS 36 -3.000 -6.741 2.410 668 HA HIS 36 HA HIS 36 -5.492 -5.505 1.941 669 1HB HIS 36 1HB HIS 36 -3.098 -4.974 3.679 670 2HB HIS 36 2HB HIS 36 -4.450 -3.844 3.701 671 HD1 HIS 36 HD1 HIS 36 -3.431 -6.227 5.844 672 HD2 HIS 36 HD2 HIS 36 -6.934 -6.013 3.593 673 HE1 HIS 36 HE1 HIS 36 -5.122 -7.711 7.007 674 H ALA 37 H ALA 37 -2.208 -4.170 1.405 675 HA ALA 37 HA ALA 37 -2.859 -1.581 0.524 676 1HB ALA 37 1HB ALA 37 -0.588 -1.938 0.676 677 2HB ALA 37 3HB ALA 37 -0.706 -3.591 0.075 678 3HB ALA 37 2HB ALA 37 -0.756 -2.237 -1.054 679 H GLN 38 H GLN 38 -2.827 -4.633 -1.336 680 HA GLN 38 HA GLN 38 -3.366 -3.585 -3.918 681 1HB GLN 38 1HB GLN 38 -3.484 -6.119 -2.463 682 2HB GLN 38 2HB GLN 38 -4.735 -6.014 -3.701 683 1HG GLN 38 1HG GLN 38 -2.419 -4.969 -4.905 684 2HG GLN 38 2HG GLN 38 -1.880 -6.399 -4.025 685 2HE2 GLN 38 2HE2 GLN 38 -2.008 -6.283 -6.923 686 1HE2 GLN 38 1HE2 GLN 38 -3.179 -7.402 -7.429 687 H ASN 39 H ASN 39 -5.519 -4.325 -1.202 688 HA ASN 39 HA ASN 39 -7.915 -3.540 -2.761 689 1HB ASN 39 1HB ASN 39 -7.473 -4.467 0.098 690 2HB ASN 39 2HB ASN 39 -9.052 -4.239 -0.655 691 2HD2 ASN 39 2HD2 ASN 39 -6.126 -6.259 -0.708 692 1HD2 ASN 39 1HD2 ASN 39 -6.810 -7.522 -1.612 693 H LEU 40 H LEU 40 -5.590 -1.698 -1.738 694 HA LEU 40 HA LEU 40 -5.400 0.482 -0.899 695 1HB LEU 40 1HB LEU 40 -8.265 0.224 -1.810 696 2HB LEU 40 2HB LEU 40 -7.664 1.742 -1.142 697 HG LEU 40 HG LEU 40 -5.710 1.447 -2.839 698 1HD1 LEU 40 1HD1 LEU 40 -7.755 -0.557 -3.766 699 2HD1 LEU 40 2HD1 LEU 40 -6.741 0.277 -4.944 700 3HD1 LEU 40 3HD1 LEU 40 -6.001 -0.718 -3.689 701 1HD2 LEU 40 1HD2 LEU 40 -7.690 3.097 -2.886 702 2HD2 LEU 40 2HD2 LEU 40 -6.898 2.763 -4.427 703 3HD2 LEU 40 3HD2 LEU 40 -8.433 1.988 -4.038 704 H GLU 41 H GLU 41 -6.241 -1.812 0.945 705 HA GLU 41 HA GLU 41 -8.011 -0.739 2.960 706 1HB GLU 41 1HB GLU 41 -5.898 -2.896 2.821 707 2HB GLU 41 2HB GLU 41 -6.769 -2.568 4.319 708 1HG GLU 41 1HG GLU 41 -8.532 -2.772 1.983 709 2HG GLU 41 2HG GLU 41 -7.636 -4.257 2.306 710 H PHE 42 H PHE 42 -4.473 -0.862 2.615 711 HA PHE 42 HA PHE 42 -2.770 0.318 3.740 712 1HB PHE 42 1HB PHE 42 -5.087 2.188 3.334 713 2HB PHE 42 2HB PHE 42 -3.640 2.765 4.163 714 HD1 PHE 42 HD1 PHE 42 -1.436 1.427 2.851 715 HD2 PHE 42 HD2 PHE 42 -5.063 3.012 1.129 716 HE1 PHE 42 HE1 PHE 42 -0.278 1.694 0.661 717 HE2 PHE 42 HE2 PHE 42 -3.905 3.280 -1.063 718 HZ PHE 42 HZ PHE 42 -1.510 2.622 -1.293 719 H GLU 43 H GLU 43 -2.491 1.868 5.768 720 HA GLU 43 HA GLU 43 -2.539 2.139 8.089 721 1HB GLU 43 1HB GLU 43 -4.903 2.683 7.761 722 2HB GLU 43 2HB GLU 43 -5.318 0.975 7.679 723 1HG GLU 43 1HG GLU 43 -4.329 0.727 9.997 724 2HG GLU 43 2HG GLU 43 -4.260 2.489 10.067 725 H GLU 44 H GLU 44 -4.299 -0.846 7.382 726 HA GLU 44 HA GLU 44 -2.790 -2.340 9.412 727 1HB GLU 44 2HB GLU 44 -4.317 -4.143 8.756 728 2HB GLU 44 1HB GLU 44 -5.227 -2.643 8.932 729 1HG GLU 44 1HG GLU 44 -5.238 -2.300 6.528 730 2HG GLU 44 2HG GLU 44 -4.168 -3.682 6.288 731 H ALA 45 H ALA 45 -2.831 -1.958 5.899 732 HA ALA 45 HA ALA 45 -1.051 -4.226 5.392 733 1HB ALA 45 1HB ALA 45 -2.866 -2.765 3.974 734 2HB ALA 45 2HB ALA 45 -1.634 -3.783 3.227 735 3HB ALA 45 3HB ALA 45 -1.357 -2.051 3.407 736 H ALA 46 H ALA 46 -0.686 -0.663 5.381 737 HA ALA 46 HA ALA 46 2.150 -0.798 4.741 738 1HB ALA 46 1HB ALA 46 1.999 1.592 4.881 739 2HB ALA 46 3HB ALA 46 0.469 1.033 4.205 740 3HB ALA 46 2HB ALA 46 0.565 1.502 5.904 741 H GLN 47 H GLN 47 0.320 -0.958 7.701 742 HA GLN 47 HA GLN 47 2.378 0.041 9.477 743 1HB GLN 47 1HB GLN 47 -0.192 -1.449 9.625 744 2HB GLN 47 2HB GLN 47 0.888 -1.605 11.011 745 1HG GLN 47 1HG GLN 47 -0.002 1.032 9.807 746 2HG GLN 47 2HG GLN 47 -0.691 0.306 11.260 747 2HE2 GLN 47 2HE2 GLN 47 0.910 -0.090 13.101 748 1HE2 GLN 47 1HE2 GLN 47 2.214 0.982 13.271 749 H ILE 48 H ILE 48 1.559 -3.174 8.192 750 HA ILE 48 HA ILE 48 3.160 -4.835 9.792 751 HB ILE 48 HB ILE 48 2.621 -4.861 6.804 752 1HG1 ILE 48 1HG1 ILE 48 1.266 -6.522 8.924 753 2HG1 ILE 48 2HG1 ILE 48 0.712 -4.883 8.582 754 1HG2 ILE 48 1HG2 ILE 48 4.521 -6.329 7.413 755 2HG2 ILE 48 2HG2 ILE 48 3.517 -7.108 8.636 756 3HG2 ILE 48 3HG2 ILE 48 3.111 -7.270 6.927 757 1HD1 ILE 48 1HD1 ILE 48 1.096 -6.917 6.382 758 2HD1 ILE 48 2HD1 ILE 48 -0.421 -6.789 7.273 759 3HD1 ILE 48 3HD1 ILE 48 0.170 -5.418 6.335 760 H ARG 49 H ARG 49 4.120 -2.549 7.303 761 HA ARG 49 HA ARG 49 6.740 -3.399 6.703 762 1HB ARG 49 1HB ARG 49 5.758 -1.598 5.502 763 2HB ARG 49 2HB ARG 49 5.352 -0.727 6.975 764 1HG ARG 49 1HG ARG 49 8.203 -1.140 6.879 765 2HG ARG 49 2HG ARG 49 7.664 -0.416 5.364 766 1HD ARG 49 1HD ARG 49 8.211 1.298 7.121 767 2HD ARG 49 2HD ARG 49 6.518 1.379 6.596 768 HE ARG 49 HE ARG 49 5.935 0.042 8.633 769 1HH1 ARG 49 1HH1 ARG 49 9.256 0.136 8.603 770 2HH1 ARG 49 2HH1 ARG 49 9.447 0.749 10.212 771 1HH2 ARG 49 1HH2 ARG 49 6.073 1.432 10.635 772 2HH2 ARG 49 2HH2 ARG 49 7.645 1.483 11.362 773 H ASP 50 H ASP 50 5.433 -2.030 9.642 774 HA ASP 50 HA ASP 50 8.012 -1.263 10.790 775 1HB ASP 50 1HB ASP 50 5.543 -0.449 11.229 776 2HB ASP 50 2HB ASP 50 5.496 -1.817 12.341 777 H GLN 51 H GLN 51 5.886 -4.088 10.868 778 HA GLN 51 HA GLN 51 7.380 -5.433 12.998 779 1HB GLN 51 2HB GLN 51 5.357 -6.454 10.975 780 2HB GLN 51 1HB GLN 51 5.816 -7.253 12.480 781 1HG GLN 51 1HG GLN 51 4.882 -5.466 13.801 782 2HG GLN 51 2HG GLN 51 4.618 -4.473 12.367 783 2HE2 GLN 51 2HE2 GLN 51 3.883 -7.947 13.024 784 1HE2 GLN 51 1HE2 GLN 51 2.236 -7.821 12.635 785 H LEU 52 H LEU 52 7.052 -5.838 9.455 786 HA LEU 52 HA LEU 52 8.840 -8.026 9.147 787 1HB LEU 52 1HB LEU 52 7.193 -6.639 7.557 788 2HB LEU 52 2HB LEU 52 8.701 -5.841 7.109 789 HG LEU 52 HG LEU 52 8.269 -7.755 5.626 790 1HD1 LEU 52 1HD1 LEU 52 10.623 -7.121 6.654 791 2HD1 LEU 52 2HD1 LEU 52 10.473 -8.699 7.428 792 3HD1 LEU 52 3HD1 LEU 52 10.445 -8.573 5.669 793 1HD2 LEU 52 1HD2 LEU 52 7.045 -8.964 7.634 794 2HD2 LEU 52 2HD2 LEU 52 7.858 -9.917 6.392 795 3HD2 LEU 52 3HD2 LEU 52 8.650 -9.628 7.941 796 H HIS 53 H HIS 53 9.444 -4.525 9.290 797 HA HIS 53 HA HIS 53 12.159 -4.463 8.499 798 1HB HIS 53 1HB HIS 53 10.459 -2.601 9.087 799 2HB HIS 53 2HB HIS 53 10.975 -2.837 10.757 800 HD1 HIS 53 HD1 HIS 53 13.788 -2.835 10.957 801 HD2 HIS 53 HD2 HIS 53 12.037 -0.742 7.805 802 HE1 HIS 53 HE1 HIS 53 15.529 -1.189 10.135 803 H GLN 54 H GLN 54 10.833 -4.802 11.817 804 HA GLN 54 HA GLN 54 13.436 -5.315 13.004 805 1HB GLN 54 1HB GLN 54 10.974 -4.526 13.865 806 2HB GLN 54 2HB GLN 54 10.949 -6.224 14.342 807 1HG GLN 54 1HG GLN 54 13.377 -4.567 14.949 808 2HG GLN 54 2HG GLN 54 11.954 -4.424 15.982 809 2HE2 GLN 54 2HE2 GLN 54 11.752 -5.984 17.604 810 1HE2 GLN 54 1HE2 GLN 54 12.607 -7.450 17.648 811 H LEU 55 H LEU 55 10.735 -7.339 11.883 812 HA LEU 55 HA LEU 55 11.694 -9.841 12.905 813 1HB LEU 55 1HB LEU 55 9.712 -8.795 10.982 814 2HB LEU 55 2HB LEU 55 10.266 -10.433 10.633 815 HG LEU 55 HG LEU 55 9.492 -9.698 13.441 816 1HD1 LEU 55 1HD1 LEU 55 7.719 -9.206 11.451 817 2HD1 LEU 55 2HD1 LEU 55 7.415 -10.924 11.709 818 3HD1 LEU 55 3HD1 LEU 55 7.239 -9.787 13.046 819 1HD2 LEU 55 1HD2 LEU 55 9.688 -12.184 11.748 820 2HD2 LEU 55 2HD2 LEU 55 10.440 -11.849 13.307 821 3HD2 LEU 55 3HD2 LEU 55 8.710 -12.177 13.215 822 H ARG 56 H ARG 56 12.357 -8.057 9.912 823 HA ARG 56 HA ARG 56 13.640 -10.035 8.374 824 1HB ARG 56 1HB ARG 56 13.105 -7.751 7.633 825 2HB ARG 56 2HB ARG 56 14.299 -7.095 8.753 826 1HG ARG 56 1HG ARG 56 15.981 -8.648 7.521 827 2HG ARG 56 2HG ARG 56 14.754 -8.717 6.255 828 1HD ARG 56 1HD ARG 56 14.825 -6.321 5.946 829 2HD ARG 56 2HD ARG 56 15.857 -6.117 7.376 830 HE ARG 56 HE ARG 56 17.694 -7.059 6.151 831 1HH1 ARG 56 1HH1 ARG 56 17.530 -9.114 4.573 832 2HH1 ARG 56 2HH1 ARG 56 17.018 -8.626 2.992 833 1HH2 ARG 56 1HH2 ARG 56 15.813 -5.549 4.045 834 2HH2 ARG 56 2HH2 ARG 56 16.046 -6.606 2.693 835 H GLU 57 H GLU 57 15.245 -7.727 10.609 836 HA GLU 57 HA GLU 57 17.833 -8.904 10.502 837 1HB GLU 57 2HB GLU 57 16.465 -7.481 12.811 838 2HB GLU 57 1HB GLU 57 18.203 -7.580 12.524 839 1HG GLU 57 1HG GLU 57 17.639 -6.501 10.215 840 2HG GLU 57 2HG GLU 57 16.125 -6.035 10.992 841 H LEU 58 H LEU 58 15.049 -9.571 12.613 842 HA LEU 58 HA LEU 58 16.222 -11.305 14.495 843 1HB LEU 58 1HB LEU 58 13.665 -10.480 13.636 844 2HB LEU 58 2HB LEU 58 13.634 -12.242 13.574 845 HG LEU 58 HG LEU 58 14.970 -11.292 15.978 846 1HD1 LEU 58 1HD1 LEU 58 12.260 -10.205 15.273 847 2HD1 LEU 58 2HD1 LEU 58 12.619 -10.612 16.951 848 3HD1 LEU 58 3HD1 LEU 58 13.595 -9.411 16.107 849 1HD2 LEU 58 1HD2 LEU 58 14.021 -13.585 15.479 850 2HD2 LEU 58 2HD2 LEU 58 13.497 -12.901 17.018 851 3HD2 LEU 58 3HD2 LEU 58 12.411 -12.880 15.629 852 H PHE 59 H PHE 59 15.612 -11.824 11.096 853 HA PHE 59 HA PHE 59 15.434 -14.618 10.885 854 1HB PHE 59 1HB PHE 59 15.381 -12.748 9.119 855 2HB PHE 59 2HB PHE 59 17.142 -12.860 9.113 856 HD1 PHE 59 HD1 PHE 59 14.082 -15.036 8.860 857 HD2 PHE 59 HD2 PHE 59 18.195 -14.415 7.702 858 HE1 PHE 59 HE1 PHE 59 13.954 -17.011 7.342 859 HE2 PHE 59 HE2 PHE 59 18.066 -16.388 6.184 860 HZ PHE 59 HZ PHE 59 15.946 -17.687 6.004 861 H ILE 60 H ILE 60 18.457 -12.682 10.838 862 HA ILE 60 HA ILE 60 20.144 -15.052 11.059 863 HB ILE 60 HB ILE 60 20.701 -12.088 11.421 864 1HG1 ILE 60 1HG1 ILE 60 21.557 -13.407 8.946 865 2HG1 ILE 60 2HG1 ILE 60 19.805 -13.415 9.155 866 1HG2 ILE 60 1HG2 ILE 60 22.347 -14.438 11.727 867 2HG2 ILE 60 2HG2 ILE 60 22.917 -13.490 10.354 868 3HG2 ILE 60 3HG2 ILE 60 22.789 -12.744 11.947 869 1HD1 ILE 60 1HD1 ILE 60 21.253 -10.871 9.741 870 2HD1 ILE 60 2HD1 ILE 60 21.069 -11.335 8.050 871 3HD1 ILE 60 3HD1 ILE 60 19.643 -11.116 9.064 872 H ALA 61 H ALA 61 19.008 -12.514 13.287 873 HA ALA 61 HA ALA 61 20.580 -13.123 15.554 874 1HB ALA 61 1HB ALA 61 18.622 -11.372 14.910 875 2HB ALA 61 3HB ALA 61 19.118 -11.666 16.575 876 3HB ALA 61 2HB ALA 61 17.696 -12.479 15.923 877 H ALA 62 H ALA 62 17.949 -14.908 14.112 878 HA ALA 62 HA ALA 62 17.669 -16.634 16.525 879 1HB ALA 62 1HB ALA 62 16.032 -17.374 14.273 880 2HB ALA 62 3HB ALA 62 15.968 -15.624 14.484 881 3HB ALA 62 2HB ALA 62 15.524 -16.689 15.818 882 H SER 63 H SER 63 17.593 -17.399 13.035 883 HA SER 63 HA SER 63 19.838 -19.320 13.410 884 1HB SER 63 1HB SER 63 17.058 -19.964 13.418 885 2HB SER 63 2HB SER 63 17.737 -20.577 11.913 886 HG SER 63 HG SER 63 17.907 -21.691 14.239 No H/Q in entry = 886 Start of MODEL 18 1 H LEU 8 H LEU 8 -12.537 -3.440 -8.102 2 HA LEU 8 HA LEU 8 -15.495 -3.331 -8.358 3 1HB LEU 8 1HB LEU 8 -13.725 -1.291 -7.187 4 2HB LEU 8 2HB LEU 8 -14.781 -0.665 -8.455 5 HG LEU 8 HG LEU 8 -16.712 -1.801 -7.284 6 1HD1 LEU 8 1HD1 LEU 8 -14.456 -2.503 -5.471 7 2HD1 LEU 8 2HD1 LEU 8 -15.981 -2.057 -4.705 8 3HD1 LEU 8 3HD1 LEU 8 -15.925 -3.406 -5.839 9 1HD2 LEU 8 1HD2 LEU 8 -15.854 0.663 -6.988 10 2HD2 LEU 8 2HD2 LEU 8 -17.066 0.034 -5.871 11 3HD2 LEU 8 3HD2 LEU 8 -15.372 0.110 -5.384 12 H GLU 9 H GLU 9 -16.145 -2.643 -10.461 13 HA GLU 9 HA GLU 9 -14.072 -1.756 -12.384 14 1HB GLU 9 1HB GLU 9 -15.423 -4.438 -12.293 15 2HB GLU 9 2HB GLU 9 -14.998 -3.747 -13.860 16 1HG GLU 9 1HG GLU 9 -12.687 -3.303 -12.517 17 2HG GLU 9 2HG GLU 9 -13.234 -4.770 -11.705 18 HA PRO 10 HA PRO 10 -18.337 -0.077 -13.083 19 1HB PRO 10 1HB PRO 10 -17.583 2.545 -13.279 20 2HB PRO 10 2HB PRO 10 -17.972 1.764 -11.735 21 1HG PRO 10 2HG PRO 10 -15.321 2.381 -12.929 22 2HG PRO 10 1HG PRO 10 -15.844 2.449 -11.239 23 1HD PRO 10 1HD PRO 10 -14.352 0.412 -12.298 24 2HD PRO 10 2HD PRO 10 -15.415 0.236 -10.885 25 H ASP 11 H ASP 11 -15.391 1.342 -14.568 26 HA ASP 11 HA ASP 11 -14.798 1.629 -16.834 27 1HB ASP 11 1HB ASP 11 -16.181 -0.847 -16.545 28 2HB ASP 11 2HB ASP 11 -16.738 -0.111 -18.048 29 H ASN 12 H ASN 12 -18.249 0.868 -17.325 30 HA ASN 12 HA ASN 12 -19.069 3.643 -17.598 31 1HB ASN 12 1HB ASN 12 -17.508 3.026 -19.594 32 2HB ASN 12 2HB ASN 12 -18.884 2.088 -20.177 33 2HD2 ASN 12 2HD2 ASN 12 -21.077 3.497 -19.989 34 1HD2 ASN 12 1HD2 ASN 12 -20.944 5.078 -20.593 35 H VAL 13 H VAL 13 -20.132 1.358 -16.254 36 HA VAL 13 HA VAL 13 -22.166 -0.018 -17.709 37 HB VAL 13 HB VAL 13 -21.430 0.564 -14.872 38 1HG1 VAL 13 1HG1 VAL 13 -24.171 -0.325 -15.757 39 2HG1 VAL 13 2HG1 VAL 13 -23.489 -0.921 -14.244 40 3HG1 VAL 13 3HG1 VAL 13 -23.738 0.809 -14.477 41 1HG2 VAL 13 1HG2 VAL 13 -20.466 -1.319 -16.122 42 2HG2 VAL 13 2HG2 VAL 13 -21.446 -1.899 -14.775 43 3HG2 VAL 13 3HG2 VAL 13 -22.083 -1.956 -16.418 44 HA PRO 14 HA PRO 14 -25.204 3.366 -16.330 45 1HB PRO 14 1HB PRO 14 -24.265 5.574 -15.015 46 2HB PRO 14 2HB PRO 14 -24.763 4.091 -14.176 47 1HG PRO 14 2HG PRO 14 -22.041 5.094 -14.785 48 2HG PRO 14 1HG PRO 14 -22.622 4.166 -13.399 49 1HD PRO 14 1HD PRO 14 -21.213 3.114 -15.533 50 2HD PRO 14 2HD PRO 14 -22.231 2.189 -14.416 51 H MET 15 H MET 15 -22.821 5.964 -16.303 52 HA MET 15 HA MET 15 -22.386 6.225 -19.104 53 1HB MET 15 1HB MET 15 -25.018 6.901 -18.143 54 2HB MET 15 2HB MET 15 -24.230 8.365 -18.731 55 1HG MET 15 1HG MET 15 -24.147 7.614 -20.898 56 2HG MET 15 2HG MET 15 -23.933 5.932 -20.417 57 1HE MET 15 1HE MET 15 -26.175 8.884 -20.993 58 2HE MET 15 2HE MET 15 -26.129 7.885 -22.452 59 3HE MET 15 3HE MET 15 -27.649 8.130 -21.597 60 H ASP 16 H ASP 16 -20.663 7.623 -19.225 61 HA ASP 16 HA ASP 16 -19.122 9.302 -18.594 62 1HB ASP 16 1HB ASP 16 -21.591 10.379 -18.889 63 2HB ASP 16 2HB ASP 16 -21.293 10.786 -17.199 64 H MET 17 H MET 17 -18.678 7.349 -16.933 65 HA MET 17 HA MET 17 -19.386 7.406 -14.227 66 1HB MET 17 1HB MET 17 -17.170 6.304 -13.912 67 2HB MET 17 2HB MET 17 -18.035 5.674 -15.313 68 1HG MET 17 1HG MET 17 -16.742 7.198 -16.781 69 2HG MET 17 2HG MET 17 -15.848 7.774 -15.373 70 1HE MET 17 1HE MET 17 -15.167 6.756 -18.014 71 2HE MET 17 2HE MET 17 -13.605 6.030 -17.645 72 3HE MET 17 3HE MET 17 -14.922 5.032 -18.278 73 H SER 18 H SER 18 -16.953 9.400 -15.896 74 HA SER 18 HA SER 18 -16.965 11.251 -13.566 75 1HB SER 18 1HB SER 18 -14.642 9.676 -14.660 76 2HB SER 18 2HB SER 18 -14.372 11.210 -13.838 77 HG SER 18 HG SER 18 -14.690 8.885 -12.728 78 HA PRO 19 HA PRO 19 -16.558 14.192 -16.828 79 1HB PRO 19 1HB PRO 19 -15.595 16.340 -15.457 80 2HB PRO 19 2HB PRO 19 -17.252 15.739 -15.256 81 1HG PRO 19 2HG PRO 19 -14.928 15.486 -13.466 82 2HG PRO 19 1HG PRO 19 -16.652 15.498 -13.079 83 1HD PRO 19 1HD PRO 19 -14.968 13.240 -13.241 84 2HD PRO 19 2HD PRO 19 -16.737 13.242 -13.090 85 H LYS 20 H LYS 20 -14.096 12.427 -16.399 86 HA LYS 20 HA LYS 20 -11.916 12.355 -17.305 87 1HB LYS 20 1HB LYS 20 -13.198 13.841 -19.019 88 2HB LYS 20 2HB LYS 20 -12.359 15.189 -18.251 89 1HG LYS 20 1HG LYS 20 -10.862 12.754 -19.214 90 2HG LYS 20 2HG LYS 20 -11.214 14.105 -20.291 91 1HD LYS 20 1HD LYS 20 -10.247 15.380 -18.045 92 2HD LYS 20 2HD LYS 20 -9.259 13.919 -18.106 93 1HE LYS 20 2HE LYS 20 -8.000 15.144 -19.587 94 2HE LYS 20 1HE LYS 20 -9.258 14.673 -20.748 95 1HZ LYS 20 1HZ LYS 20 -10.527 16.633 -20.111 96 2HZ LYS 20 2HZ LYS 20 -9.309 17.094 -19.021 97 3HZ LYS 20 3HZ LYS 20 -8.999 17.080 -20.692 98 H ALA 21 H ALA 21 -12.349 15.800 -16.364 99 HA ALA 21 HA ALA 21 -9.814 16.259 -15.264 100 1HB ALA 21 1HB ALA 21 -11.603 17.935 -15.615 101 2HB ALA 21 3HB ALA 21 -12.528 17.223 -14.293 102 3HB ALA 21 2HB ALA 21 -10.986 18.015 -13.965 103 H LEU 22 H LEU 22 -12.717 15.048 -13.554 104 HA LEU 22 HA LEU 22 -11.411 14.591 -11.025 105 1HB LEU 22 1HB LEU 22 -13.969 14.503 -12.119 106 2HB LEU 22 2HB LEU 22 -13.638 12.814 -11.751 107 HG LEU 22 HG LEU 22 -14.666 13.818 -9.807 108 1HD1 LEU 22 1HD1 LEU 22 -12.122 12.612 -9.811 109 2HD1 LEU 22 2HD1 LEU 22 -12.008 13.946 -8.661 110 3HD1 LEU 22 3HD1 LEU 22 -13.247 12.708 -8.455 111 1HD2 LEU 22 1HD2 LEU 22 -14.123 16.166 -10.387 112 2HD2 LEU 22 2HD2 LEU 22 -13.690 15.794 -8.717 113 3HD2 LEU 22 3HD2 LEU 22 -12.437 15.872 -9.956 114 H GLN 23 H GLN 23 -12.445 12.329 -13.577 115 HA GLN 23 HA GLN 23 -11.351 9.932 -12.686 116 1HB GLN 23 1HB GLN 23 -12.747 10.227 -14.684 117 2HB GLN 23 2HB GLN 23 -11.452 11.115 -15.483 118 1HG GLN 23 2HG GLN 23 -10.816 9.109 -16.321 119 2HG GLN 23 1HG GLN 23 -10.195 8.775 -14.704 120 2HE2 GLN 23 2HE2 GLN 23 -11.134 7.031 -13.608 121 1HE2 GLN 23 1HE2 GLN 23 -12.575 6.264 -14.074 122 H GLN 24 H GLN 24 -9.681 12.336 -14.765 123 HA GLN 24 HA GLN 24 -7.148 11.001 -14.794 124 1HB GLN 24 1HB GLN 24 -8.240 13.003 -16.153 125 2HB GLN 24 2HB GLN 24 -7.421 13.984 -14.937 126 1HG GLN 24 1HG GLN 24 -5.630 11.930 -15.865 127 2HG GLN 24 2HG GLN 24 -6.283 12.806 -17.250 128 2HE2 GLN 24 2HE2 GLN 24 -3.589 12.881 -15.542 129 1HE2 GLN 24 1HE2 GLN 24 -3.327 14.551 -15.376 130 H LYS 25 H LYS 25 -8.564 13.390 -12.582 131 HA LYS 25 HA LYS 25 -6.170 13.981 -11.105 132 1HB LYS 25 1HB LYS 25 -9.134 14.226 -10.758 133 2HB LYS 25 2HB LYS 25 -8.110 14.487 -9.346 134 1HG LYS 25 1HG LYS 25 -6.975 16.299 -10.358 135 2HG LYS 25 2HG LYS 25 -7.534 15.858 -11.972 136 1HD LYS 25 1HD LYS 25 -9.531 16.914 -11.706 137 2HD LYS 25 2HD LYS 25 -9.693 16.388 -10.030 138 1HE LYS 25 1HE LYS 25 -8.956 18.398 -9.291 139 2HE LYS 25 2HE LYS 25 -7.486 18.254 -10.275 140 1HZ LYS 25 1HZ LYS 25 -10.121 18.922 -11.452 141 2HZ LYS 25 2HZ LYS 25 -9.057 20.120 -10.896 142 3HZ LYS 25 3HZ LYS 25 -8.585 19.086 -12.159 143 H ILE 26 H ILE 26 -8.787 11.602 -10.577 144 HA ILE 26 HA ILE 26 -7.709 10.538 -8.122 145 HB ILE 26 HB ILE 26 -9.578 9.423 -10.237 146 1HG1 ILE 26 1HG1 ILE 26 -10.189 10.685 -7.548 147 2HG1 ILE 26 2HG1 ILE 26 -10.230 11.570 -9.073 148 1HG2 ILE 26 1HG2 ILE 26 -8.554 7.676 -8.755 149 2HG2 ILE 26 2HG2 ILE 26 -9.204 8.539 -7.361 150 3HG2 ILE 26 3HG2 ILE 26 -10.300 7.830 -8.547 151 1HD1 ILE 26 1HD1 ILE 26 -11.822 9.698 -9.887 152 2HD1 ILE 26 2HD1 ILE 26 -11.995 9.295 -8.179 153 3HD1 ILE 26 3HD1 ILE 26 -12.470 10.891 -8.761 154 H HIS 27 H HIS 27 -7.703 9.223 -11.463 155 HA HIS 27 HA HIS 27 -6.040 6.976 -10.961 156 1HB HIS 27 1HB HIS 27 -6.981 8.607 -13.238 157 2HB HIS 27 2HB HIS 27 -5.483 7.727 -13.543 158 HD1 HIS 27 HD1 HIS 27 -5.915 5.141 -12.049 159 HD2 HIS 27 HD2 HIS 27 -8.937 6.949 -14.280 160 HE1 HIS 27 HE1 HIS 27 -7.575 3.314 -12.619 161 H GLU 28 H GLU 28 -5.258 10.368 -11.252 162 HA GLU 28 HA GLU 28 -2.476 10.124 -11.951 163 1HB GLU 28 1HB GLU 28 -4.402 12.135 -10.993 164 2HB GLU 28 2HB GLU 28 -2.743 12.440 -10.473 165 1HG GLU 28 1HG GLU 28 -2.870 11.608 -13.266 166 2HG GLU 28 2HG GLU 28 -3.820 13.065 -12.970 167 H LEU 29 H LEU 29 -3.837 11.062 -8.767 168 HA LEU 29 HA LEU 29 -1.424 10.485 -7.320 169 1HB LEU 29 1HB LEU 29 -4.322 10.987 -6.700 170 2HB LEU 29 2HB LEU 29 -3.239 10.486 -5.400 171 HG LEU 29 HG LEU 29 -1.731 12.413 -6.611 172 1HD1 LEU 29 1HD1 LEU 29 -3.608 12.970 -8.145 173 2HD1 LEU 29 2HD1 LEU 29 -4.619 13.336 -6.746 174 3HD1 LEU 29 3HD1 LEU 29 -3.196 14.321 -7.088 175 1HD2 LEU 29 1HD2 LEU 29 -2.648 12.002 -4.154 176 2HD2 LEU 29 2HD2 LEU 29 -2.046 13.590 -4.630 177 3HD2 LEU 29 3HD2 LEU 29 -3.781 13.277 -4.599 178 H GLU 30 H GLU 30 -4.350 8.578 -7.989 179 HA GLU 30 HA GLU 30 -3.835 6.380 -6.249 180 1HB GLU 30 1HB GLU 30 -5.935 6.924 -7.524 181 2HB GLU 30 2HB GLU 30 -5.125 6.387 -8.997 182 1HG GLU 30 1HG GLU 30 -4.828 4.414 -6.895 183 2HG GLU 30 2HG GLU 30 -6.532 4.778 -7.170 184 H GLY 31 H GLY 31 -2.926 6.882 -9.676 185 1HA GLY 31 2HA GLY 31 -1.219 5.895 -10.949 186 2HA GLY 31 1HA GLY 31 -1.598 4.411 -10.074 187 H LEU 32 H LEU 32 -0.544 7.372 -8.490 188 HA LEU 32 HA LEU 32 2.263 6.610 -8.310 189 1HB LEU 32 1HB LEU 32 1.498 8.936 -8.266 190 2HB LEU 32 2HB LEU 32 0.526 8.613 -6.829 191 HG LEU 32 HG LEU 32 2.682 7.918 -5.671 192 1HD1 LEU 32 1HD1 LEU 32 3.738 8.966 -8.287 193 2HD1 LEU 32 2HD1 LEU 32 4.706 9.114 -6.820 194 3HD1 LEU 32 3HD1 LEU 32 4.218 7.521 -7.399 195 1HD2 LEU 32 1HD2 LEU 32 1.676 10.556 -6.339 196 2HD2 LEU 32 2HD2 LEU 32 2.355 9.981 -4.817 197 3HD2 LEU 32 3HD2 LEU 32 3.420 10.605 -6.077 198 H MET 33 H MET 33 -0.615 6.195 -6.309 199 HA MET 33 HA MET 33 0.855 5.228 -3.970 200 1HB MET 33 1HB MET 33 -1.282 6.406 -3.792 201 2HB MET 33 2HB MET 33 -2.062 5.193 -4.808 202 1HG MET 33 1HG MET 33 -0.634 4.176 -2.409 203 2HG MET 33 2HG MET 33 -2.116 5.085 -2.112 204 1HE MET 33 1HE MET 33 -4.027 4.650 -2.297 205 2HE MET 33 2HE MET 33 -4.834 3.746 -3.576 206 3HE MET 33 3HE MET 33 -4.560 2.987 -2.010 207 H MET 34 H MET 34 -0.621 3.830 -6.833 208 HA MET 34 HA MET 34 -0.666 1.092 -5.803 209 1HB MET 34 1HB MET 34 -2.147 2.228 -7.581 210 2HB MET 34 2HB MET 34 -0.781 2.018 -8.678 211 1HG MET 34 1HG MET 34 -1.445 -0.100 -9.047 212 2HG MET 34 2HG MET 34 -1.130 -0.462 -7.351 213 1HE MET 34 1HE MET 34 -2.628 -1.507 -6.057 214 2HE MET 34 2HE MET 34 -4.332 -1.791 -6.396 215 3HE MET 34 3HE MET 34 -3.095 -2.373 -7.518 216 H GLN 35 H GLN 35 1.380 2.913 -8.113 217 HA GLN 35 HA GLN 35 3.092 0.833 -8.932 218 1HB GLN 35 2HB GLN 35 4.671 2.692 -9.386 219 2HB GLN 35 1HB GLN 35 3.026 3.111 -9.864 220 1HG GLN 35 1HG GLN 35 2.710 4.328 -7.746 221 2HG GLN 35 2HG GLN 35 4.350 3.903 -7.254 222 2HE2 GLN 35 2HE2 GLN 35 2.834 5.272 -10.243 223 1HE2 GLN 35 1HE2 GLN 35 3.983 6.509 -10.425 224 H HIS 36 H HIS 36 3.207 2.784 -5.953 225 HA HIS 36 HA HIS 36 5.750 1.623 -5.084 226 1HB HIS 36 1HB HIS 36 3.612 3.386 -3.874 227 2HB HIS 36 2HB HIS 36 5.018 2.860 -2.947 228 HD1 HIS 36 HD1 HIS 36 3.937 5.381 -5.365 229 HD2 HIS 36 HD2 HIS 36 7.572 3.683 -4.230 230 HE1 HIS 36 HE1 HIS 36 5.750 6.915 -6.244 231 H ALA 37 H ALA 37 2.337 1.318 -4.019 232 HA ALA 37 HA ALA 37 2.627 -0.551 -1.946 233 1HB ALA 37 1HB ALA 37 0.329 -1.334 -3.249 234 2HB ALA 37 2HB ALA 37 0.582 0.283 -3.907 235 3HB ALA 37 3HB ALA 37 0.437 0.052 -2.165 236 H GLN 38 H GLN 38 2.667 -1.102 -5.456 237 HA GLN 38 HA GLN 38 2.635 -3.996 -5.315 238 1HB GLN 38 1HB GLN 38 3.293 -1.869 -7.343 239 2HB GLN 38 2HB GLN 38 3.617 -3.563 -7.714 240 1HG GLN 38 1HG GLN 38 1.219 -4.063 -7.078 241 2HG GLN 38 2HG GLN 38 0.949 -2.322 -6.998 242 2HE2 GLN 38 2HE2 GLN 38 -0.637 -3.049 -8.863 243 1HE2 GLN 38 1HE2 GLN 38 0.003 -3.009 -10.435 244 H ASN 39 H ASN 39 5.206 -1.538 -5.493 245 HA ASN 39 HA ASN 39 7.308 -3.631 -5.447 246 1HB ASN 39 1HB ASN 39 7.184 -0.625 -5.730 247 2HB ASN 39 2HB ASN 39 8.724 -1.457 -5.504 248 2HD2 ASN 39 2HD2 ASN 39 9.291 -0.749 -7.753 249 1HD2 ASN 39 1HD2 ASN 39 8.665 -1.605 -9.079 250 H LEU 40 H LEU 40 5.388 -2.846 -3.112 251 HA LEU 40 HA LEU 40 5.558 -2.619 -0.773 252 1HB LEU 40 1HB LEU 40 7.979 -4.029 -1.779 253 2HB LEU 40 2HB LEU 40 8.035 -3.470 -0.106 254 HG LEU 40 HG LEU 40 5.496 -4.569 -0.321 255 1HD1 LEU 40 1HD1 LEU 40 6.538 -5.489 -2.567 256 2HD1 LEU 40 2HD1 LEU 40 7.343 -6.629 -1.488 257 3HD1 LEU 40 3HD1 LEU 40 5.582 -6.555 -1.538 258 1HD2 LEU 40 1HD2 LEU 40 7.201 -4.762 1.528 259 2HD2 LEU 40 2HD2 LEU 40 6.371 -6.274 1.163 260 3HD2 LEU 40 3HD2 LEU 40 8.012 -6.006 0.577 261 H GLU 41 H GLU 41 6.536 -0.381 -2.620 262 HA GLU 41 HA GLU 41 8.438 0.973 -0.742 263 1HB GLU 41 1HB GLU 41 7.806 1.115 -3.677 264 2HB GLU 41 2HB GLU 41 8.523 2.518 -2.885 265 1HG GLU 41 1HG GLU 41 9.791 -0.086 -2.257 266 2HG GLU 41 2HG GLU 41 9.990 0.478 -3.917 267 H PHE 42 H PHE 42 5.267 0.721 -0.877 268 HA PHE 42 HA PHE 42 4.363 3.397 -1.215 269 1HB PHE 42 2HB PHE 42 2.242 2.468 -0.688 270 2HB PHE 42 1HB PHE 42 3.124 1.260 -1.602 271 HD1 PHE 42 HD1 PHE 42 4.973 0.720 1.082 272 HD2 PHE 42 HD2 PHE 42 0.771 0.645 0.110 273 HE1 PHE 42 HE1 PHE 42 4.584 -0.917 2.908 274 HE2 PHE 42 HE2 PHE 42 0.379 -0.995 1.947 275 HZ PHE 42 HZ PHE 42 2.287 -1.775 3.346 276 H GLU 43 H GLU 43 6.470 3.007 0.997 277 HA GLU 43 HA GLU 43 5.260 3.288 3.558 278 1HB GLU 43 1HB GLU 43 7.664 3.001 3.237 279 2HB GLU 43 2HB GLU 43 7.755 4.497 2.306 280 1HG GLU 43 1HG GLU 43 6.881 5.694 4.378 281 2HG GLU 43 2HG GLU 43 7.165 4.190 5.257 282 H GLU 44 H GLU 44 6.619 5.960 1.626 283 HA GLU 44 HA GLU 44 4.727 7.885 2.798 284 1HB GLU 44 1HB GLU 44 6.036 9.460 1.375 285 2HB GLU 44 2HB GLU 44 7.086 8.447 2.367 286 1HG GLU 44 1HG GLU 44 7.856 7.235 0.561 287 2HG GLU 44 2HG GLU 44 6.359 7.438 -0.348 288 H ALA 45 H ALA 45 4.957 5.864 -0.031 289 HA ALA 45 HA ALA 45 3.279 7.422 -1.805 290 1HB ALA 45 1HB ALA 45 3.998 5.800 -3.216 291 2HB ALA 45 3HB ALA 45 4.876 5.099 -1.853 292 3HB ALA 45 2HB ALA 45 3.247 4.538 -2.235 293 H ALA 46 H ALA 46 2.610 4.557 0.254 294 HA ALA 46 HA ALA 46 -0.106 4.181 -0.368 295 1HB ALA 46 1HB ALA 46 1.472 2.825 1.112 296 2HB ALA 46 3HB ALA 46 1.120 3.984 2.395 297 3HB ALA 46 2HB ALA 46 -0.175 2.992 1.720 298 H GLN 47 H GLN 47 1.375 6.571 1.794 299 HA GLN 47 HA GLN 47 -0.896 7.495 3.179 300 1HB GLN 47 1HB GLN 47 1.723 8.560 2.268 301 2HB GLN 47 2HB GLN 47 0.527 9.761 2.760 302 1HG GLN 47 1HG GLN 47 1.672 9.229 4.762 303 2HG GLN 47 2HG GLN 47 0.182 8.294 4.853 304 2HE2 GLN 47 2HE2 GLN 47 0.417 5.958 3.897 305 1HE2 GLN 47 1HE2 GLN 47 1.875 5.154 4.227 306 H ILE 48 H ILE 48 0.049 8.009 -0.180 307 HA ILE 48 HA ILE 48 -1.507 10.250 -0.889 308 HB ILE 48 HB ILE 48 -0.916 7.652 -2.348 309 1HG1 ILE 48 1HG1 ILE 48 1.059 8.950 -1.610 310 2HG1 ILE 48 2HG1 ILE 48 0.900 8.975 -3.366 311 1HG2 ILE 48 1HG2 ILE 48 -2.236 10.201 -3.221 312 2HG2 ILE 48 2HG2 ILE 48 -1.194 9.348 -4.360 313 3HG2 ILE 48 3HG2 ILE 48 -2.604 8.538 -3.680 314 1HD1 ILE 48 1HD1 ILE 48 -0.629 11.150 -2.496 315 2HD1 ILE 48 2HD1 ILE 48 0.814 11.191 -1.484 316 3HD1 ILE 48 3HD1 ILE 48 0.969 11.225 -3.240 317 H ARG 49 H ARG 49 -2.485 6.946 -0.177 318 HA ARG 49 HA ARG 49 -5.105 6.888 -1.236 319 1HB ARG 49 1HB ARG 49 -4.137 4.927 -0.293 320 2HB ARG 49 2HB ARG 49 -3.750 5.742 1.217 321 1HG ARG 49 1HG ARG 49 -6.590 5.906 0.772 322 2HG ARG 49 2HG ARG 49 -6.076 4.228 0.606 323 1HD ARG 49 1HD ARG 49 -6.644 4.816 2.975 324 2HD ARG 49 2HD ARG 49 -4.944 4.341 2.799 325 HE ARG 49 HE ARG 49 -4.437 6.831 2.642 326 1HH1 ARG 49 1HH1 ARG 49 -7.630 7.083 2.781 327 2HH1 ARG 49 2HH1 ARG 49 -7.754 7.847 4.330 328 1HH2 ARG 49 1HH2 ARG 49 -4.463 7.203 5.208 329 2HH2 ARG 49 2HH2 ARG 49 -5.961 7.915 5.705 330 H ASP 50 H ASP 50 -3.769 8.631 1.492 331 HA ASP 50 HA ASP 50 -6.246 9.270 2.831 332 1HB ASP 50 1HB ASP 50 -3.563 9.526 3.309 333 2HB ASP 50 2HB ASP 50 -3.990 11.190 2.907 334 H GLN 51 H GLN 51 -4.369 10.782 0.223 335 HA GLN 51 HA GLN 51 -6.078 13.156 0.078 336 1HB GLN 51 1HB GLN 51 -4.090 11.987 -1.899 337 2HB GLN 51 2HB GLN 51 -4.659 13.656 -1.849 338 1HG GLN 51 1HG GLN 51 -3.609 14.010 0.310 339 2HG GLN 51 2HG GLN 51 -3.169 12.304 0.419 340 2HE2 GLN 51 2HE2 GLN 51 -2.942 14.154 -2.610 341 1HE2 GLN 51 1HE2 GLN 51 -1.247 14.129 -2.696 342 H LEU 52 H LEU 52 -5.808 10.052 -1.619 343 HA LEU 52 HA LEU 52 -7.540 10.535 -3.809 344 1HB LEU 52 1HB LEU 52 -6.344 8.313 -2.346 345 2HB LEU 52 2HB LEU 52 -7.937 7.891 -2.969 346 HG LEU 52 HG LEU 52 -6.143 7.389 -4.610 347 1HD1 LEU 52 1HD1 LEU 52 -8.347 9.321 -5.100 348 2HD1 LEU 52 2HD1 LEU 52 -7.148 9.170 -6.384 349 3HD1 LEU 52 3HD1 LEU 52 -8.041 7.750 -5.840 350 1HD2 LEU 52 1HD2 LEU 52 -5.672 10.376 -4.377 351 2HD2 LEU 52 2HD2 LEU 52 -4.516 9.083 -4.061 352 3HD2 LEU 52 3HD2 LEU 52 -5.054 9.401 -5.710 353 H HIS 53 H HIS 53 -8.247 10.001 -0.414 354 HA HIS 53 HA HIS 53 -11.062 9.342 -0.782 355 1HB HIS 53 1HB HIS 53 -9.130 9.904 1.413 356 2HB HIS 53 2HB HIS 53 -10.834 10.157 1.788 357 HD1 HIS 53 HD1 HIS 53 -11.707 8.105 2.892 358 HD2 HIS 53 HD2 HIS 53 -9.094 7.168 -0.218 359 HE1 HIS 53 HE1 HIS 53 -11.674 5.579 2.721 360 H GLN 54 H GLN 54 -9.279 12.290 0.196 361 HA GLN 54 HA GLN 54 -11.567 13.966 0.565 362 1HB GLN 54 1HB GLN 54 -9.294 14.445 1.379 363 2HB GLN 54 2HB GLN 54 -8.717 14.583 -0.283 364 1HG GLN 54 1HG GLN 54 -9.621 16.658 -0.563 365 2HG GLN 54 2HG GLN 54 -11.059 16.267 0.382 366 2HE2 GLN 54 2HE2 GLN 54 -8.313 18.177 0.456 367 1HE2 GLN 54 1HE2 GLN 54 -8.165 18.374 2.135 368 H LEU 55 H LEU 55 -9.553 13.301 -2.303 369 HA LEU 55 HA LEU 55 -10.622 15.223 -4.080 370 1HB LEU 55 1HB LEU 55 -9.411 12.481 -4.292 371 2HB LEU 55 2HB LEU 55 -10.039 13.254 -5.749 372 HG LEU 55 HG LEU 55 -8.528 15.203 -4.305 373 1HD1 LEU 55 1HD1 LEU 55 -7.487 12.497 -4.062 374 2HD1 LEU 55 2HD1 LEU 55 -6.372 13.533 -4.953 375 3HD1 LEU 55 3HD1 LEU 55 -6.894 13.989 -3.332 376 1HD2 LEU 55 1HD2 LEU 55 -8.960 15.069 -6.766 377 2HD2 LEU 55 2HD2 LEU 55 -7.250 15.274 -6.385 378 3HD2 LEU 55 3HD2 LEU 55 -7.866 13.688 -6.850 379 H ARG 56 H ARG 56 -11.973 12.172 -2.950 380 HA ARG 56 HA ARG 56 -13.950 11.663 -4.896 381 1HB ARG 56 1HB ARG 56 -13.405 10.182 -3.029 382 2HB ARG 56 2HB ARG 56 -13.981 11.382 -1.872 383 1HG ARG 56 1HG ARG 56 -16.137 11.085 -3.588 384 2HG ARG 56 2HG ARG 56 -15.505 9.445 -3.453 385 1HD ARG 56 1HD ARG 56 -15.388 10.148 -0.850 386 2HD ARG 56 2HD ARG 56 -16.751 11.163 -1.363 387 HE ARG 56 HE ARG 56 -17.115 8.593 -2.515 388 1HH1 ARG 56 1HH1 ARG 56 -18.565 10.475 -0.312 389 2HH1 ARG 56 2HH1 ARG 56 -18.988 9.231 0.817 390 1HH2 ARG 56 1HH2 ARG 56 -16.993 6.824 -0.684 391 2HH2 ARG 56 2HH2 ARG 56 -18.098 7.164 0.606 392 H GLU 57 H GLU 57 -14.139 13.786 -2.027 393 HA GLU 57 HA GLU 57 -16.804 14.639 -2.182 394 1HB GLU 57 1HB GLU 57 -15.327 15.231 -0.368 395 2HB GLU 57 2HB GLU 57 -14.222 16.060 -1.464 396 1HG GLU 57 1HG GLU 57 -17.071 16.980 -1.347 397 2HG GLU 57 2HG GLU 57 -15.984 17.426 -0.034 398 H LEU 58 H LEU 58 -14.033 16.434 -3.552 399 HA LEU 58 HA LEU 58 -15.333 18.386 -5.025 400 1HB LEU 58 1HB LEU 58 -12.851 16.743 -5.454 401 2HB LEU 58 2HB LEU 58 -13.305 17.971 -6.635 402 HG LEU 58 HG LEU 58 -13.431 18.837 -3.809 403 1HD1 LEU 58 1HD1 LEU 58 -10.963 17.741 -5.055 404 2HD1 LEU 58 2HD1 LEU 58 -10.800 19.286 -4.219 405 3HD1 LEU 58 3HD1 LEU 58 -11.401 17.872 -3.351 406 1HD2 LEU 58 1HD2 LEU 58 -13.704 20.160 -6.059 407 2HD2 LEU 58 2HD2 LEU 58 -12.805 20.899 -4.734 408 3HD2 LEU 58 3HD2 LEU 58 -11.940 20.146 -6.073 409 H PHE 59 H PHE 59 -15.216 14.948 -5.784 410 HA PHE 59 HA PHE 59 -15.742 14.859 -8.524 411 1HB PHE 59 1HB PHE 59 -15.471 12.942 -6.953 412 2HB PHE 59 2HB PHE 59 -17.087 13.259 -6.324 413 HD1 PHE 59 HD1 PHE 59 -19.078 13.170 -7.927 414 HD2 PHE 59 HD2 PHE 59 -15.156 11.687 -8.957 415 HE1 PHE 59 HE1 PHE 59 -20.071 11.834 -9.782 416 HE2 PHE 59 HE2 PHE 59 -16.149 10.351 -10.814 417 HZ PHE 59 HZ PHE 59 -18.607 10.425 -11.226 418 H ILE 60 H ILE 60 -18.166 15.296 -5.919 419 HA ILE 60 HA ILE 60 -20.446 15.525 -7.631 420 HB ILE 60 HB ILE 60 -19.826 16.667 -4.886 421 1HG1 ILE 60 1HG1 ILE 60 -21.543 14.268 -5.348 422 2HG1 ILE 60 2HG1 ILE 60 -19.802 14.065 -5.543 423 1HG2 ILE 60 1HG2 ILE 60 -22.047 17.131 -6.584 424 2HG2 ILE 60 2HG2 ILE 60 -22.592 16.000 -5.346 425 3HG2 ILE 60 3HG2 ILE 60 -21.896 17.551 -4.877 426 1HD1 ILE 60 1HD1 ILE 60 -20.314 15.620 -3.176 427 2HD1 ILE 60 2HD1 ILE 60 -21.267 14.136 -3.117 428 3HD1 ILE 60 3HD1 ILE 60 -19.517 14.053 -3.313 429 H ALA 61 H ALA 61 -18.236 17.985 -6.287 430 HA ALA 61 HA ALA 61 -19.572 20.315 -7.192 431 1HB ALA 61 1HB ALA 61 -17.426 19.838 -5.718 432 2HB ALA 61 3HB ALA 61 -16.581 20.053 -7.251 433 3HB ALA 61 2HB ALA 61 -17.568 21.360 -6.598 434 H ALA 62 H ALA 62 -17.834 17.887 -8.978 435 HA ALA 62 HA ALA 62 -17.662 19.657 -11.378 436 1HB ALA 62 1HB ALA 62 -16.216 17.351 -10.251 437 2HB ALA 62 3HB ALA 62 -15.630 18.628 -11.316 438 3HB ALA 62 2HB ALA 62 -16.484 17.240 -11.990 439 H SER 63 H SER 63 -18.408 16.194 -10.806 440 HA SER 63 HA SER 63 -20.054 15.985 -13.178 441 1HB SER 63 1HB SER 63 -18.719 14.228 -11.771 442 2HB SER 63 2HB SER 63 -20.174 14.160 -10.781 443 HG SER 63 HG SER 63 -20.018 13.758 -13.592 444 H LEU 8 H LEU 8 12.239 -7.030 -5.847 445 HA LEU 8 HA LEU 8 15.192 -7.357 -5.878 446 1HB LEU 8 1HB LEU 8 13.480 -6.790 -3.550 447 2HB LEU 8 2HB LEU 8 14.516 -8.203 -3.336 448 HG LEU 8 HG LEU 8 16.455 -6.788 -4.129 449 1HD1 LEU 8 1HD1 LEU 8 14.230 -4.811 -4.236 450 2HD1 LEU 8 2HD1 LEU 8 15.778 -4.232 -3.621 451 3HD1 LEU 8 3HD1 LEU 8 15.677 -4.930 -5.237 452 1HD2 LEU 8 1HD2 LEU 8 15.642 -7.196 -1.667 453 2HD2 LEU 8 2HD2 LEU 8 16.868 -5.967 -1.974 454 3HD2 LEU 8 3HD2 LEU 8 15.188 -5.493 -1.728 455 H GLU 9 H GLU 9 15.805 -9.579 -5.834 456 HA GLU 9 HA GLU 9 13.703 -11.641 -5.491 457 1HB GLU 9 1HB GLU 9 15.015 -10.809 -8.061 458 2HB GLU 9 2HB GLU 9 14.566 -12.500 -7.840 459 1HG GLU 9 1HG GLU 9 12.292 -11.301 -6.983 460 2HG GLU 9 2HG GLU 9 12.835 -10.112 -8.167 461 HA PRO 10 HA PRO 10 17.976 -12.865 -4.172 462 1HB PRO 10 1HB PRO 10 17.258 -13.791 -1.699 463 2HB PRO 10 2HB PRO 10 17.669 -12.094 -2.015 464 1HG PRO 10 2HG PRO 10 15.002 -13.370 -1.709 465 2HG PRO 10 1HG PRO 10 15.563 -11.779 -1.172 466 1HD PRO 10 1HD PRO 10 14.018 -12.185 -3.395 467 2HD PRO 10 2HD PRO 10 15.109 -10.798 -3.182 468 H ASP 11 H ASP 11 15.019 -14.644 -3.175 469 HA ASP 11 HA ASP 11 14.381 -16.886 -3.538 470 1HB ASP 11 1HB ASP 11 15.732 -15.923 -5.856 471 2HB ASP 11 2HB ASP 11 16.266 -17.583 -5.591 472 H ASN 12 H ASN 12 17.807 -17.198 -4.479 473 HA ASN 12 HA ASN 12 18.663 -18.268 -1.916 474 1HB ASN 12 1HB ASN 12 17.049 -19.977 -3.045 475 2HB ASN 12 2HB ASN 12 18.396 -20.290 -4.140 476 2HD2 ASN 12 2HD2 ASN 12 20.615 -20.551 -2.782 477 1HD2 ASN 12 1HD2 ASN 12 20.492 -21.580 -1.437 478 H VAL 13 H VAL 13 19.721 -16.345 -3.742 479 HA VAL 13 HA VAL 13 21.701 -17.379 -5.518 480 HB VAL 13 HB VAL 13 21.038 -14.816 -4.133 481 1HG1 VAL 13 1HG1 VAL 13 23.745 -15.455 -5.296 482 2HG1 VAL 13 2HG1 VAL 13 23.088 -13.823 -5.420 483 3HG1 VAL 13 3HG1 VAL 13 23.357 -14.547 -3.834 484 1HG2 VAL 13 1HG2 VAL 13 20.017 -15.456 -6.275 485 2HG2 VAL 13 2HG2 VAL 13 21.018 -14.017 -6.466 486 3HG2 VAL 13 3HG2 VAL 13 21.618 -15.585 -7.004 487 HA PRO 14 HA PRO 14 24.820 -17.079 -1.946 488 1HB PRO 14 1HB PRO 14 23.945 -16.437 0.565 489 2HB PRO 14 2HB PRO 14 24.438 -15.217 -0.625 490 1HG PRO 14 2HG PRO 14 21.718 -16.041 0.219 491 2HG PRO 14 1HG PRO 14 22.317 -14.457 -0.287 492 1HD PRO 14 1HD PRO 14 20.844 -16.174 -1.876 493 2HD PRO 14 2HD PRO 14 21.873 -14.858 -2.464 494 H MET 15 H MET 15 22.478 -17.757 0.599 495 HA MET 15 HA MET 15 21.984 -20.507 0.058 496 1HB MET 15 1HB MET 15 24.647 -19.825 0.925 497 2HB MET 15 2HB MET 15 23.867 -20.795 2.176 498 1HG MET 15 1HG MET 15 23.724 -22.654 0.838 499 2HG MET 15 2HG MET 15 23.496 -21.707 -0.632 500 1HE MET 15 1HE MET 15 25.769 -23.143 1.985 501 2HE MET 15 2HE MET 15 25.675 -24.254 0.611 502 3HE MET 15 3HE MET 15 27.218 -23.532 1.060 503 H ASP 16 H ASP 16 20.279 -20.995 1.398 504 HA ASP 16 HA ASP 16 18.779 -20.845 3.219 505 1HB ASP 16 1HB ASP 16 21.256 -21.479 4.115 506 2HB ASP 16 2HB ASP 16 21.003 -19.972 4.994 507 H MET 17 H MET 17 18.343 -18.687 1.832 508 HA MET 17 HA MET 17 19.113 -16.123 2.647 509 1HB MET 17 1HB MET 17 16.887 -15.468 1.729 510 2HB MET 17 2HB MET 17 17.711 -16.644 0.705 511 1HG MET 17 1HG MET 17 16.408 -18.465 1.772 512 2HG MET 17 2HG MET 17 15.556 -17.266 2.746 513 1HE MET 17 1HE MET 17 14.801 -19.492 1.028 514 2HE MET 17 2HE MET 17 13.236 -18.904 0.471 515 3HE MET 17 3HE MET 17 14.523 -19.246 -0.694 516 H SER 18 H SER 18 16.673 -18.252 4.131 517 HA SER 18 HA SER 18 16.764 -16.551 6.570 518 1HB SER 18 1HB SER 18 14.393 -17.107 4.797 519 2HB SER 18 2HB SER 18 14.166 -16.755 6.506 520 HG SER 18 HG SER 18 14.473 -15.031 4.591 521 HA PRO 19 HA PRO 19 16.329 -20.511 8.462 522 1HB PRO 19 1HB PRO 19 15.430 -19.797 10.932 523 2HB PRO 19 2HB PRO 19 17.081 -19.461 10.380 524 1HG PRO 19 2HG PRO 19 14.795 -17.633 10.698 525 2HG PRO 19 1HG PRO 19 16.526 -17.296 10.784 526 1HD PRO 19 1HD PRO 19 14.805 -16.775 8.610 527 2HD PRO 19 2HD PRO 19 16.577 -16.661 8.619 528 H LYS 20 H LYS 20 13.851 -19.552 6.946 529 HA LYS 20 HA LYS 20 11.651 -20.362 6.663 530 1HB LYS 20 1HB LYS 20 12.916 -22.452 7.569 531 2HB LYS 20 2HB LYS 20 12.115 -22.088 9.097 532 1HG LYS 20 1HG LYS 20 10.560 -22.286 6.519 533 2HG LYS 20 2HG LYS 20 10.908 -23.712 7.499 534 1HD LYS 20 1HD LYS 20 10.010 -21.909 9.384 535 2HD LYS 20 2HD LYS 20 9.000 -21.533 7.988 536 1HE LYS 20 2HE LYS 20 7.726 -23.280 8.762 537 2HE LYS 20 1HE LYS 20 8.952 -24.279 7.954 538 1HZ LYS 20 1HZ LYS 20 10.264 -24.252 9.985 539 2HZ LYS 20 2HZ LYS 20 9.077 -23.320 10.765 540 3HZ LYS 20 3HZ LYS 20 8.728 -24.911 10.281 541 H ALA 21 H ALA 21 12.156 -20.455 10.224 542 HA ALA 21 HA ALA 21 9.653 -19.489 11.029 543 1HB ALA 21 1HB ALA 21 12.402 -18.883 12.175 544 2HB ALA 21 3HB ALA 21 10.881 -18.768 13.060 545 3HB ALA 21 2HB ALA 21 11.459 -20.338 12.499 546 H LEU 22 H LEU 22 12.576 -17.555 10.299 547 HA LEU 22 HA LEU 22 11.320 -14.979 10.613 548 1HB LEU 22 1HB LEU 22 13.851 -16.045 10.162 549 2HB LEU 22 2HB LEU 22 13.503 -15.202 8.656 550 HG LEU 22 HG LEU 22 14.589 -13.645 10.154 551 1HD1 LEU 22 1HD1 LEU 22 12.029 -13.261 9.049 552 2HD1 LEU 22 2HD1 LEU 22 11.960 -12.540 10.659 553 3HD1 LEU 22 3HD1 LEU 22 13.185 -12.008 9.507 554 1HD2 LEU 22 1HD2 LEU 22 14.068 -14.865 12.247 555 2HD2 LEU 22 2HD2 LEU 22 13.667 -13.152 12.378 556 3HD2 LEU 22 3HD2 LEU 22 12.388 -14.340 12.125 557 H GLN 23 H GLN 23 12.262 -16.794 7.694 558 HA GLN 23 HA GLN 23 11.152 -15.233 5.676 559 1HB GLN 23 1HB GLN 23 12.508 -17.256 5.358 560 2HB GLN 23 2HB GLN 23 11.208 -18.253 6.006 561 1HG GLN 23 2HG GLN 23 10.524 -18.470 3.858 562 2HG GLN 23 1HG GLN 23 9.934 -16.815 4.014 563 2HE2 GLN 23 2HE2 GLN 23 10.871 -15.281 2.637 564 1HE2 GLN 23 1HE2 GLN 23 12.290 -15.532 1.738 565 H GLN 24 H GLN 24 9.474 -17.885 7.418 566 HA GLN 24 HA GLN 24 6.920 -17.487 6.183 567 1HB GLN 24 1HB GLN 24 8.011 -19.381 7.690 568 2HB GLN 24 2HB GLN 24 7.233 -18.483 8.995 569 1HG GLN 24 1HG GLN 24 5.392 -18.753 6.798 570 2HG GLN 24 2HG GLN 24 6.027 -20.342 7.228 571 2HE2 GLN 24 2HE2 GLN 24 3.373 -18.682 7.845 572 1HE2 GLN 24 1HE2 GLN 24 3.140 -18.997 9.497 573 H LYS 25 H LYS 25 8.420 -16.077 9.075 574 HA LYS 25 HA LYS 25 6.069 -14.790 10.114 575 1HB LYS 25 1HB LYS 25 9.044 -14.579 10.387 576 2HB LYS 25 2HB LYS 25 8.056 -13.284 11.063 577 1HG LYS 25 1HG LYS 25 6.925 -14.753 12.532 578 2HG LYS 25 2HG LYS 25 7.442 -16.181 11.636 579 1HD LYS 25 1HD LYS 25 9.459 -16.264 12.682 580 2HD LYS 25 2HD LYS 25 9.652 -14.511 12.654 581 1HE LYS 25 1HE LYS 25 8.962 -14.367 14.807 582 2HE LYS 25 2HE LYS 25 7.468 -15.243 14.418 583 1HZ LYS 25 1HZ LYS 25 10.086 -16.606 14.666 584 2HZ LYS 25 2HZ LYS 25 9.053 -16.399 15.995 585 3HZ LYS 25 3HZ LYS 25 8.538 -17.305 14.652 586 H ILE 26 H ILE 26 8.662 -13.648 7.933 587 HA ILE 26 HA ILE 26 7.623 -10.972 7.639 588 HB ILE 26 HB ILE 26 9.427 -12.712 5.925 589 1HG1 ILE 26 1HG1 ILE 26 10.117 -10.508 7.892 590 2HG1 ILE 26 2HG1 ILE 26 10.137 -12.224 8.303 591 1HG2 ILE 26 1HG2 ILE 26 8.411 -10.773 4.698 592 2HG2 ILE 26 2HG2 ILE 26 9.105 -9.696 5.910 593 3HG2 ILE 26 3HG2 ILE 26 10.163 -10.648 4.869 594 1HD1 ILE 26 1HD1 ILE 26 11.682 -12.493 6.243 595 2HD1 ILE 26 2HD1 ILE 26 11.888 -10.744 6.342 596 3HD1 ILE 26 3HD1 ILE 26 12.373 -11.768 7.693 597 H HIS 27 H HIS 27 7.522 -13.796 5.422 598 HA HIS 27 HA HIS 27 5.837 -12.642 3.449 599 1HB HIS 27 1HB HIS 27 6.751 -15.306 4.340 600 2HB HIS 27 2HB HIS 27 5.234 -15.322 3.440 601 HD1 HIS 27 HD1 HIS 27 5.661 -13.156 1.381 602 HD2 HIS 27 HD2 HIS 27 8.659 -15.863 2.412 603 HE1 HIS 27 HE1 HIS 27 7.280 -13.207 -0.565 604 H GLU 28 H GLU 28 5.100 -13.880 6.631 605 HA GLU 28 HA GLU 28 2.300 -14.432 6.254 606 1HB GLU 28 1HB GLU 28 4.276 -14.123 8.416 607 2HB GLU 28 2HB GLU 28 2.635 -13.685 8.890 608 1HG GLU 28 1HG GLU 28 2.687 -16.124 7.291 609 2HG GLU 28 2HG GLU 28 3.664 -16.273 8.752 610 H LEU 29 H LEU 29 3.745 -11.674 8.036 611 HA LEU 29 HA LEU 29 1.357 -10.080 7.949 612 1HB LEU 29 1HB LEU 29 4.276 -9.682 8.546 613 2HB LEU 29 2HB LEU 29 3.215 -8.274 8.460 614 HG LEU 29 HG LEU 29 1.709 -9.960 9.991 615 1HD1 LEU 29 1HD1 LEU 29 3.560 -11.621 10.046 616 2HD1 LEU 29 2HD1 LEU 29 4.607 -10.404 10.777 617 3HD1 LEU 29 3HD1 LEU 29 3.192 -10.990 11.651 618 1HD2 LEU 29 1HD2 LEU 29 2.674 -7.504 10.282 619 2HD2 LEU 29 2HD2 LEU 29 2.085 -8.406 11.679 620 3HD2 LEU 29 3HD2 LEU 29 3.816 -8.316 11.352 621 H GLU 30 H GLU 30 4.238 -10.224 5.868 622 HA GLU 30 HA GLU 30 3.730 -7.920 4.272 623 1HB GLU 30 1HB GLU 30 5.809 -9.334 4.384 624 2HB GLU 30 2HB GLU 30 4.959 -10.577 3.465 625 1HG GLU 30 1HG GLU 30 4.679 -7.993 2.182 626 2HG GLU 30 2HG GLU 30 6.381 -8.389 2.417 627 H GLY 31 H GLY 31 2.753 -11.332 3.791 628 1HA GLY 31 2HA GLY 31 1.003 -12.239 2.516 629 2HA GLY 31 1HA GLY 31 1.379 -10.981 1.337 630 H LEU 32 H LEU 32 0.405 -10.294 4.649 631 HA LEU 32 HA LEU 32 -2.408 -9.856 4.029 632 1HB LEU 32 1HB LEU 32 -1.608 -10.493 6.254 633 2HB LEU 32 2HB LEU 32 -0.609 -9.041 6.336 634 HG LEU 32 HG LEU 32 -2.749 -7.696 6.047 635 1HD1 LEU 32 1HD1 LEU 32 -3.847 -10.484 6.323 636 2HD1 LEU 32 2HD1 LEU 32 -4.780 -9.105 6.904 637 3HD1 LEU 32 3HD1 LEU 32 -4.329 -9.210 5.203 638 1HD2 LEU 32 1HD2 LEU 32 -1.719 -9.110 8.362 639 2HD2 LEU 32 2HD2 LEU 32 -2.372 -7.475 8.260 640 3HD2 LEU 32 3HD2 LEU 32 -3.455 -8.843 8.519 641 H MET 33 H MET 33 0.507 -7.870 4.144 642 HA MET 33 HA MET 33 -0.924 -5.326 3.917 643 1HB MET 33 1HB MET 33 1.234 -5.530 5.052 644 2HB MET 33 2HB MET 33 1.973 -6.169 3.584 645 1HG MET 33 1HG MET 33 0.584 -3.554 3.327 646 2HG MET 33 2HG MET 33 2.086 -3.555 4.251 647 1HE MET 33 1HE MET 33 3.985 -3.642 3.741 648 2HE MET 33 2HE MET 33 4.749 -4.619 2.489 649 3HE MET 33 3HE MET 33 4.496 -2.895 2.220 650 H MET 34 H MET 34 0.466 -7.694 1.729 651 HA MET 34 HA MET 34 0.492 -5.923 -0.599 652 1HB MET 34 1HB MET 34 1.950 -7.977 -0.052 653 2HB MET 34 2HB MET 34 0.558 -8.944 -0.540 654 1HG MET 34 1HG MET 34 1.183 -8.702 -2.686 655 2HG MET 34 2HG MET 34 0.898 -6.968 -2.542 656 1HE MET 34 1HE MET 34 2.410 -5.453 -3.205 657 2HE MET 34 2HE MET 34 4.101 -5.728 -3.613 658 3HE MET 34 3HE MET 34 2.827 -6.615 -4.461 659 H GLN 35 H GLN 35 -1.577 -8.623 0.525 660 HA GLN 35 HA GLN 35 -3.338 -8.782 -1.666 661 1HB GLN 35 1HB GLN 35 -4.899 -9.723 0.019 662 2HB GLN 35 2HB GLN 35 -3.259 -10.329 0.249 663 1HG GLN 35 1HG GLN 35 -2.877 -8.654 2.014 664 2HG GLN 35 2HG GLN 35 -4.512 -8.033 1.782 665 2HE2 GLN 35 2HE2 GLN 35 -3.043 -11.314 2.207 666 1HE2 GLN 35 1HE2 GLN 35 -4.176 -11.824 3.363 667 H HIS 36 H HIS 36 -3.357 -6.486 1.059 668 HA HIS 36 HA HIS 36 -5.897 -5.277 0.248 669 1HB HIS 36 1HB HIS 36 -3.707 -4.660 2.239 670 2HB HIS 36 2HB HIS 36 -5.100 -3.598 2.028 671 HD1 HIS 36 HD1 HIS 36 -4.036 -6.654 3.729 672 HD2 HIS 36 HD2 HIS 36 -7.668 -5.018 2.504 673 HE1 HIS 36 HE1 HIS 36 -5.844 -7.904 4.986 674 H ALA 37 H ALA 37 -2.466 -4.227 0.190 675 HA ALA 37 HA ALA 37 -2.738 -1.702 -1.001 676 1HB ALA 37 1HB ALA 37 -0.544 -2.122 -0.531 677 2HB ALA 37 3HB ALA 37 -0.725 -3.855 -0.806 678 3HB ALA 37 2HB ALA 37 -0.481 -2.767 -2.172 679 H GLN 38 H GLN 38 -2.865 -4.905 -2.532 680 HA GLN 38 HA GLN 38 -2.874 -3.942 -5.265 681 1HB GLN 38 1HB GLN 38 -3.544 -6.483 -3.794 682 2HB GLN 38 2HB GLN 38 -3.901 -6.347 -5.516 683 1HG GLN 38 1HG GLN 38 -1.498 -5.635 -5.863 684 2HG GLN 38 2HG GLN 38 -1.200 -6.062 -4.178 685 2HE2 GLN 38 2HE2 GLN 38 0.333 -7.667 -5.442 686 1HE2 GLN 38 1HE2 GLN 38 -0.342 -9.173 -5.841 687 H ASN 39 H ASN 39 -5.411 -4.771 -2.907 688 HA ASN 39 HA ASN 39 -7.542 -4.093 -4.855 689 1HB ASN 39 1HB ASN 39 -7.380 -5.228 -2.059 690 2HB ASN 39 2HB ASN 39 -8.926 -4.747 -2.759 691 2HD2 ASN 39 2HD2 ASN 39 -9.533 -7.094 -2.715 692 1HD2 ASN 39 1HD2 ASN 39 -8.949 -8.130 -3.926 693 H LEU 40 H LEU 40 -5.559 -2.113 -3.477 694 HA LEU 40 HA LEU 40 -5.673 0.065 -2.585 695 1HB LEU 40 1HB LEU 40 -8.138 -0.454 -4.173 696 2HB LEU 40 2HB LEU 40 -8.148 0.989 -3.158 697 HG LEU 40 HG LEU 40 -5.631 1.054 -4.326 698 1HD1 LEU 40 1HD1 LEU 40 -6.737 -0.814 -5.827 699 2HD1 LEU 40 2HD1 LEU 40 -7.535 0.559 -6.594 700 3HD1 LEU 40 3HD1 LEU 40 -5.773 0.460 -6.574 701 1HD2 LEU 40 1HD2 LEU 40 -7.296 2.910 -3.945 702 2HD2 LEU 40 2HD2 LEU 40 -6.498 2.981 -5.515 703 3HD2 LEU 40 3HD2 LEU 40 -8.148 2.371 -5.392 704 H GLU 41 H GLU 41 -6.657 -2.329 -0.949 705 HA GLU 41 HA GLU 41 -8.498 -0.886 0.925 706 1HB GLU 41 1HB GLU 41 -7.929 -3.748 0.207 707 2HB GLU 41 2HB GLU 41 -8.608 -3.380 1.794 708 1HG GLU 41 1HG GLU 41 -9.900 -2.010 -0.495 709 2HG GLU 41 2HG GLU 41 -10.127 -3.759 -0.426 710 H PHE 42 H PHE 42 -5.334 -0.999 0.579 711 HA PHE 42 HA PHE 42 -4.397 -2.105 3.028 712 1HB PHE 42 2HB PHE 42 -2.280 -1.370 2.244 713 2HB PHE 42 1HB PHE 42 -3.200 -1.884 0.843 714 HD1 PHE 42 HD1 PHE 42 -4.997 0.872 1.134 715 HD2 PHE 42 HD2 PHE 42 -0.819 -0.108 0.696 716 HE1 PHE 42 HE1 PHE 42 -4.593 3.084 0.083 717 HE2 PHE 42 HE2 PHE 42 -0.412 2.117 -0.356 718 HZ PHE 42 HZ PHE 42 -2.301 3.712 -0.661 719 H GLU 43 H GLU 43 -6.459 0.163 3.329 720 HA GLU 43 HA GLU 43 -5.190 2.515 4.306 721 1HB GLU 43 1HB GLU 43 -7.604 2.330 3.989 722 2HB GLU 43 2HB GLU 43 -7.694 1.012 5.158 723 1HG GLU 43 1HG GLU 43 -6.755 2.639 6.880 724 2HG GLU 43 2HG GLU 43 -7.042 3.916 5.696 725 H GLU 44 H GLU 44 -6.551 -0.079 6.342 726 HA GLU 44 HA GLU 44 -4.605 0.462 8.481 727 1HB GLU 44 1HB GLU 44 -5.921 -1.331 9.611 728 2HB GLU 44 2HB GLU 44 -6.964 -0.074 8.946 729 1HG GLU 44 1HG GLU 44 -7.791 -1.442 7.284 730 2HG GLU 44 2HG GLU 44 -6.312 -2.397 7.188 731 H ALA 45 H ALA 45 -4.928 -1.667 5.741 732 HA ALA 45 HA ALA 45 -3.266 -3.841 6.691 733 1HB ALA 45 1HB ALA 45 -4.898 -3.195 4.485 734 2HB ALA 45 3HB ALA 45 -4.041 -4.716 4.749 735 3HB ALA 45 2HB ALA 45 -3.288 -3.427 3.804 736 H ALA 46 H ALA 46 -2.595 -1.059 4.521 737 HA ALA 46 HA ALA 46 0.100 -1.592 3.927 738 1HB ALA 46 1HB ALA 46 0.199 0.747 3.384 739 2HB ALA 46 3HB ALA 46 -1.464 0.239 3.085 740 3HB ALA 46 2HB ALA 46 -1.066 1.132 4.555 741 H GLN 47 H GLN 47 -1.296 -0.182 6.865 742 HA GLN 47 HA GLN 47 1.020 0.841 8.100 743 1HB GLN 47 1HB GLN 47 -1.603 -0.292 8.915 744 2HB GLN 47 2HB GLN 47 -0.378 -0.186 10.181 745 1HG GLN 47 1HG GLN 47 -1.487 1.904 10.268 746 2HG GLN 47 2HG GLN 47 -0.008 2.234 9.367 747 2HE2 GLN 47 2HE2 GLN 47 -0.300 1.993 6.861 748 1HE2 GLN 47 1HE2 GLN 47 -1.763 2.563 6.215 749 H ILE 48 H ILE 48 0.008 -2.508 7.650 750 HA ILE 48 HA ILE 48 1.582 -3.855 9.561 751 HB ILE 48 HB ILE 48 0.918 -4.499 6.668 752 1HG1 ILE 48 1HG1 ILE 48 -1.020 -4.129 8.164 753 2HG1 ILE 48 2HG1 ILE 48 -0.900 -5.822 7.681 754 1HG2 ILE 48 1HG2 ILE 48 2.256 -6.087 8.831 755 2HG2 ILE 48 2HG2 ILE 48 1.176 -6.916 7.711 756 3HG2 ILE 48 3HG2 ILE 48 2.590 -6.057 7.100 757 1HD1 ILE 48 1HD1 ILE 48 0.681 -5.638 9.983 758 2HD1 ILE 48 2HD1 ILE 48 -0.738 -4.655 10.342 759 3HD1 ILE 48 3HD1 ILE 48 -0.931 -6.344 9.875 760 H ARG 49 H ARG 49 2.525 -2.243 6.580 761 HA ARG 49 HA ARG 49 5.119 -3.286 6.167 762 1HB ARG 49 1HB ARG 49 4.143 -1.804 4.577 763 2HB ARG 49 2HB ARG 49 3.802 -0.585 5.799 764 1HG ARG 49 1HG ARG 49 6.634 -1.107 5.770 765 2HG ARG 49 2HG ARG 49 6.092 -0.775 4.126 766 1HD ARG 49 1HD ARG 49 6.721 1.315 5.356 767 2HD ARG 49 2HD ARG 49 5.010 1.312 4.886 768 HE ARG 49 HE ARG 49 4.538 0.456 7.236 769 1HH1 ARG 49 1HH1 ARG 49 7.736 0.463 7.451 770 2HH1 ARG 49 2HH1 ARG 49 7.906 1.725 8.624 771 1HH2 ARG 49 1HH2 ARG 49 4.625 2.808 8.328 772 2HH2 ARG 49 2HH2 ARG 49 6.145 3.053 9.121 773 H ASP 50 H ASP 50 3.870 -1.150 8.645 774 HA ASP 50 HA ASP 50 6.387 -0.093 9.589 775 1HB ASP 50 1HB ASP 50 3.720 0.338 10.027 776 2HB ASP 50 2HB ASP 50 4.162 -0.531 11.497 777 H GLN 51 H GLN 51 4.474 -2.993 10.330 778 HA GLN 51 HA GLN 51 6.216 -3.840 12.526 779 1HB GLN 51 2HB GLN 51 4.167 -5.365 10.883 780 2HB GLN 51 1HB GLN 51 4.761 -5.804 12.484 781 1HG GLN 51 1HG GLN 51 3.765 -3.822 13.463 782 2HG GLN 51 2HG GLN 51 3.303 -3.220 11.869 783 2HE2 GLN 51 2HE2 GLN 51 3.035 -6.647 12.780 784 1HE2 GLN 51 1HE2 GLN 51 1.338 -6.693 12.766 785 H LEU 52 H LEU 52 5.862 -4.571 9.074 786 HA LEU 52 HA LEU 52 7.551 -6.838 8.873 787 1HB LEU 52 1HB LEU 52 6.354 -4.779 7.189 788 2HB LEU 52 2HB LEU 52 7.927 -5.282 6.573 789 HG LEU 52 HG LEU 52 6.088 -6.679 5.660 790 1HD1 LEU 52 1HD1 LEU 52 8.310 -7.739 7.324 791 2HD1 LEU 52 2HD1 LEU 52 7.080 -8.906 6.836 792 3HD1 LEU 52 3HD1 LEU 52 7.964 -7.993 5.613 793 1HD2 LEU 52 1HD2 LEU 52 5.668 -7.304 8.597 794 2HD2 LEU 52 2HD2 LEU 52 4.499 -6.610 7.473 795 3HD2 LEU 52 3HD2 LEU 52 5.005 -8.291 7.294 796 H HIS 53 H HIS 53 8.324 -3.445 9.320 797 HA HIS 53 HA HIS 53 11.120 -3.656 8.525 798 1HB HIS 53 1HB HIS 53 9.247 -1.682 9.731 799 2HB HIS 53 2HB HIS 53 10.963 -1.425 10.046 800 HD1 HIS 53 HD1 HIS 53 11.830 0.206 8.377 801 HD2 HIS 53 HD2 HIS 53 9.133 -2.459 6.644 802 HE1 HIS 53 HE1 HIS 53 11.755 0.768 5.908 803 H GLN 54 H GLN 54 9.405 -3.533 11.664 804 HA GLN 54 HA GLN 54 11.726 -3.700 13.328 805 1HB GLN 54 1HB GLN 54 9.478 -3.019 14.067 806 2HB GLN 54 2HB GLN 54 8.867 -4.640 13.736 807 1HG GLN 54 1HG GLN 54 9.796 -5.519 15.625 808 2HG GLN 54 2HG GLN 54 11.248 -4.526 15.491 809 2HE2 GLN 54 2HE2 GLN 54 8.534 -4.956 17.399 810 1HE2 GLN 54 1HE2 GLN 54 8.426 -3.401 18.070 811 H LEU 55 H LEU 55 9.638 -6.222 11.913 812 HA LEU 55 HA LEU 55 10.695 -8.494 13.222 813 1HB LEU 55 1HB LEU 55 9.439 -7.890 10.561 814 2HB LEU 55 2HB LEU 55 10.045 -9.518 10.872 815 HG LEU 55 HG LEU 55 8.597 -8.668 13.183 816 1HD1 LEU 55 1HD1 LEU 55 7.522 -7.642 10.682 817 2HD1 LEU 55 2HD1 LEU 55 6.403 -8.773 11.443 818 3HD1 LEU 55 3HD1 LEU 55 6.968 -7.359 12.332 819 1HD2 LEU 55 1HD2 LEU 55 8.971 -10.994 12.341 820 2HD2 LEU 55 2HD2 LEU 55 7.274 -10.658 12.681 821 3HD2 LEU 55 3HD2 LEU 55 7.855 -10.660 11.017 822 H ARG 56 H ARG 56 12.026 -6.559 10.595 823 HA ARG 56 HA ARG 56 13.951 -8.311 9.510 824 1HB ARG 56 1HB ARG 56 13.426 -6.089 8.636 825 2HB ARG 56 2HB ARG 56 14.044 -5.335 10.106 826 1HG ARG 56 1HG ARG 56 16.158 -6.932 9.285 827 2HG ARG 56 2HG ARG 56 15.504 -6.321 7.765 828 1HD ARG 56 1HD ARG 56 15.457 -4.027 9.186 829 2HD ARG 56 2HD ARG 56 16.823 -4.832 9.984 830 HE ARG 56 HE ARG 56 17.121 -5.206 7.184 831 1HH1 ARG 56 1HH1 ARG 56 18.649 -3.659 9.587 832 2HH1 ARG 56 2HH1 ARG 56 19.078 -2.229 8.710 833 1HH2 ARG 56 1HH2 ARG 56 17.015 -2.942 6.016 834 2HH2 ARG 56 2HH2 ARG 56 18.153 -1.823 6.688 835 H GLU 57 H GLU 57 14.236 -6.176 12.361 836 HA GLU 57 HA GLU 57 16.909 -6.614 13.078 837 1HB GLU 57 1HB GLU 57 15.482 -5.022 14.195 838 2HB GLU 57 2HB GLU 57 14.366 -6.289 14.698 839 1HG GLU 57 1HG GLU 57 17.230 -6.490 15.554 840 2HG GLU 57 2HG GLU 57 16.179 -5.341 16.379 841 H LEU 58 H LEU 58 14.136 -8.394 14.463 842 HA LEU 58 HA LEU 58 15.431 -10.387 15.884 843 1HB LEU 58 1HB LEU 58 12.917 -10.283 14.239 844 2HB LEU 58 2HB LEU 58 13.361 -11.775 15.068 845 HG LEU 58 HG LEU 58 13.564 -9.318 16.704 846 1HD1 LEU 58 1HD1 LEU 58 11.053 -10.155 15.349 847 2HD1 LEU 58 2HD1 LEU 58 10.931 -9.794 17.071 848 3HD1 LEU 58 3HD1 LEU 58 11.530 -8.569 15.953 849 1HD2 LEU 58 1HD2 LEU 58 13.806 -11.857 17.321 850 2HD2 LEU 58 2HD2 LEU 58 12.949 -10.784 18.428 851 3HD2 LEU 58 3HD2 LEU 58 12.043 -11.836 17.340 852 H PHE 59 H PHE 59 15.246 -10.127 12.376 853 HA PHE 59 HA PHE 59 15.710 -12.735 11.495 854 1HB PHE 59 1HB PHE 59 15.444 -10.675 10.113 855 2HB PHE 59 2HB PHE 59 17.079 -10.191 10.564 856 HD1 PHE 59 HD1 PHE 59 19.032 -11.734 9.978 857 HD2 PHE 59 HD2 PHE 59 15.066 -12.230 8.345 858 HE1 PHE 59 HE1 PHE 59 19.963 -13.147 8.147 859 HE2 PHE 59 HE2 PHE 59 15.997 -13.642 6.514 860 HZ PHE 59 HZ PHE 59 18.445 -14.101 6.415 861 H ILE 60 H ILE 60 18.197 -10.405 12.608 862 HA ILE 60 HA ILE 60 20.442 -12.150 12.291 863 HB ILE 60 HB ILE 60 19.900 -9.838 14.183 864 1HG1 ILE 60 1HG1 ILE 60 21.570 -9.622 11.718 865 2HG1 ILE 60 2HG1 ILE 60 19.822 -9.722 11.504 866 1HG2 ILE 60 1HG2 ILE 60 22.089 -11.635 14.095 867 2HG2 ILE 60 2HG2 ILE 60 22.645 -10.134 13.355 868 3HG2 ILE 60 3HG2 ILE 60 21.982 -10.119 14.990 869 1HD1 ILE 60 1HD1 ILE 60 20.411 -7.907 13.659 870 2HD1 ILE 60 2HD1 ILE 60 21.342 -7.442 12.236 871 3HD1 ILE 60 3HD1 ILE 60 19.586 -7.576 12.135 872 H ALA 61 H ALA 61 18.299 -11.528 15.079 873 HA ALA 61 HA ALA 61 19.649 -13.088 17.024 874 1HB ALA 61 1HB ALA 61 17.530 -11.502 17.033 875 2HB ALA 61 3HB ALA 61 16.654 -13.017 16.818 876 3HB ALA 61 2HB ALA 61 17.675 -12.784 18.236 877 H ALA 62 H ALA 62 17.836 -14.073 14.221 878 HA ALA 62 HA ALA 62 17.637 -16.876 15.234 879 1HB ALA 62 1HB ALA 62 16.183 -15.111 13.378 880 2HB ALA 62 2HB ALA 62 15.592 -16.487 14.309 881 3HB ALA 62 3HB ALA 62 16.410 -16.750 12.769 882 H SER 63 H SER 63 18.343 -15.348 12.065 883 HA SER 63 HA SER 63 19.932 -17.589 11.152 884 1HB SER 63 1HB SER 63 18.602 -15.714 9.900 885 2HB SER 63 2HB SER 63 20.079 -14.772 10.088 886 HG SER 63 HG SER 63 19.853 -17.347 8.901 No H/Q in entry = 886 Start of MODEL 19 1 H LEU 8 H LEU 8 -11.631 6.209 -30.587 2 HA LEU 8 HA LEU 8 -9.199 7.086 -30.825 3 1HB LEU 8 1HB LEU 8 -10.394 7.349 -33.408 4 2HB LEU 8 2HB LEU 8 -9.912 8.961 -32.873 5 HG LEU 8 HG LEU 8 -8.065 7.839 -34.065 6 1HD1 LEU 8 1HD1 LEU 8 -7.666 9.393 -32.099 7 2HD1 LEU 8 2HD1 LEU 8 -7.470 7.956 -31.097 8 3HD1 LEU 8 3HD1 LEU 8 -6.353 8.261 -32.427 9 1HD2 LEU 8 1HD2 LEU 8 -9.002 5.581 -32.656 10 2HD2 LEU 8 2HD2 LEU 8 -7.610 5.654 -33.738 11 3HD2 LEU 8 3HD2 LEU 8 -7.397 5.914 -32.006 12 H GLU 9 H GLU 9 -9.292 8.372 -29.016 13 HA GLU 9 HA GLU 9 -9.916 10.145 -27.582 14 1HB GLU 9 1HB GLU 9 -9.131 11.116 -29.952 15 2HB GLU 9 2HB GLU 9 -10.804 11.672 -29.994 16 1HG GLU 9 2HG GLU 9 -10.169 13.406 -28.704 17 2HG GLU 9 1HG GLU 9 -9.920 12.250 -27.396 18 HA PRO 10 HA PRO 10 -14.384 9.072 -27.927 19 1HB PRO 10 1HB PRO 10 -14.702 8.450 -25.282 20 2HB PRO 10 2HB PRO 10 -14.129 7.280 -26.487 21 1HG PRO 10 2HG PRO 10 -12.583 8.849 -24.488 22 2HG PRO 10 1HG PRO 10 -12.355 7.182 -25.037 23 1HD PRO 10 1HD PRO 10 -10.834 9.282 -25.897 24 2HD PRO 10 2HD PRO 10 -11.121 7.812 -26.856 25 H ASP 11 H ASP 11 -12.804 10.792 -25.216 26 HA ASP 11 HA ASP 11 -13.317 12.855 -24.192 27 1HB ASP 11 1HB ASP 11 -13.981 13.007 -26.995 28 2HB ASP 11 2HB ASP 11 -15.137 13.965 -26.070 29 H ASN 12 H ASN 12 -16.397 12.491 -25.932 30 HA ASN 12 HA ASN 12 -17.773 11.605 -23.464 31 1HB ASN 12 2HB ASN 12 -19.221 13.617 -23.486 32 2HB ASN 12 1HB ASN 12 -17.527 14.055 -23.263 33 2HD2 ASN 12 2HD2 ASN 12 -20.173 14.006 -25.649 34 1HD2 ASN 12 1HD2 ASN 12 -19.449 15.105 -26.722 35 H VAL 13 H VAL 13 -17.354 10.831 -26.433 36 HA VAL 13 HA VAL 13 -19.893 11.109 -27.764 37 HB VAL 13 HB VAL 13 -17.350 9.558 -28.042 38 1HG1 VAL 13 1HG1 VAL 13 -19.976 8.730 -29.243 39 2HG1 VAL 13 2HG1 VAL 13 -18.508 8.577 -30.208 40 3HG1 VAL 13 3HG1 VAL 13 -18.646 7.722 -28.672 41 1HG2 VAL 13 1HG2 VAL 13 -18.109 11.914 -28.984 42 2HG2 VAL 13 2HG2 VAL 13 -17.102 10.838 -29.952 43 3HG2 VAL 13 3HG2 VAL 13 -18.839 10.923 -30.246 44 HA PRO 14 HA PRO 14 -20.901 6.751 -26.118 45 1HB PRO 14 1HB PRO 14 -19.168 5.538 -24.388 46 2HB PRO 14 2HB PRO 14 -19.022 5.384 -26.151 47 1HG PRO 14 2HG PRO 14 -17.482 7.084 -24.265 48 2HG PRO 14 1HG PRO 14 -16.946 6.244 -25.729 49 1HD PRO 14 1HD PRO 14 -17.483 8.937 -25.596 50 2HD PRO 14 2HD PRO 14 -17.537 7.967 -27.078 51 H MET 15 H MET 15 -18.860 8.355 -23.664 52 HA MET 15 HA MET 15 -21.091 9.323 -22.139 53 1HB MET 15 1HB MET 15 -20.794 6.644 -21.901 54 2HB MET 15 2HB MET 15 -19.694 7.173 -20.626 55 1HG MET 15 2HG MET 15 -21.695 7.084 -19.450 56 2HG MET 15 1HG MET 15 -21.709 8.764 -19.986 57 1HE MET 15 1HE MET 15 -22.760 5.365 -20.120 58 2HE MET 15 2HE MET 15 -24.340 5.977 -19.634 59 3HE MET 15 3HE MET 15 -24.149 5.201 -21.204 60 H ASP 16 H ASP 16 -20.238 10.036 -19.851 61 HA ASP 16 HA ASP 16 -17.353 10.320 -19.534 62 1HB ASP 16 1HB ASP 16 -18.062 11.869 -21.448 63 2HB ASP 16 2HB ASP 16 -18.938 12.804 -20.235 64 H MET 17 H MET 17 -18.468 9.378 -17.500 65 HA MET 17 HA MET 17 -20.206 10.791 -15.801 66 1HB MET 17 1HB MET 17 -19.102 9.441 -14.026 67 2HB MET 17 2HB MET 17 -19.412 8.482 -15.474 68 1HG MET 17 1HG MET 17 -17.060 8.965 -16.217 69 2HG MET 17 2HG MET 17 -16.778 9.740 -14.658 70 1HE MET 17 1HE MET 17 -17.217 6.913 -16.777 71 2HE MET 17 2HE MET 17 -15.589 6.562 -16.180 72 3HE MET 17 3HE MET 17 -16.910 5.442 -15.857 73 H SER 18 H SER 18 -16.683 11.138 -16.184 74 HA SER 18 HA SER 18 -16.729 13.440 -14.277 75 1HB SER 18 1HB SER 18 -14.532 11.690 -15.420 76 2HB SER 18 2HB SER 18 -14.236 13.056 -14.348 77 HG SER 18 HG SER 18 -14.409 11.332 -13.020 78 HA PRO 19 HA PRO 19 -16.362 16.144 -17.774 79 1HB PRO 19 1HB PRO 19 -15.389 18.356 -16.494 80 2HB PRO 19 2HB PRO 19 -17.084 17.839 -16.375 81 1HG PRO 19 2HG PRO 19 -14.837 17.405 -14.468 82 2HG PRO 19 1HG PRO 19 -16.516 17.849 -14.132 83 1HD PRO 19 1HD PRO 19 -15.600 15.324 -13.831 84 2HD PRO 19 2HD PRO 19 -17.268 15.680 -14.324 85 H LYS 20 H LYS 20 -14.283 14.369 -17.899 86 HA LYS 20 HA LYS 20 -12.063 14.097 -18.617 87 1HB LYS 20 1HB LYS 20 -12.004 17.051 -19.198 88 2HB LYS 20 2HB LYS 20 -11.344 15.725 -20.141 89 1HG LYS 20 2HG LYS 20 -13.193 15.989 -21.427 90 2HG LYS 20 1HG LYS 20 -14.027 15.126 -20.132 91 1HD LYS 20 1HD LYS 20 -15.225 16.961 -19.637 92 2HD LYS 20 2HD LYS 20 -13.743 17.883 -19.380 93 1HE LYS 20 2HE LYS 20 -14.765 19.065 -21.150 94 2HE LYS 20 1HE LYS 20 -13.684 17.962 -22.026 95 1HZ LYS 20 1HZ LYS 20 -15.545 16.335 -22.037 96 2HZ LYS 20 2HZ LYS 20 -16.563 17.550 -21.426 97 3HZ LYS 20 3HZ LYS 20 -15.854 17.730 -22.956 98 H ALA 21 H ALA 21 -11.794 17.469 -17.410 99 HA ALA 21 HA ALA 21 -9.283 17.257 -16.202 100 1HB ALA 21 1HB ALA 21 -10.532 19.339 -16.469 101 2HB ALA 21 3HB ALA 21 -11.763 18.780 -15.337 102 3HB ALA 21 2HB ALA 21 -10.134 19.134 -14.763 103 H LEU 22 H LEU 22 -12.451 16.603 -14.686 104 HA LEU 22 HA LEU 22 -11.415 15.777 -12.130 105 1HB LEU 22 1HB LEU 22 -13.851 16.296 -13.295 106 2HB LEU 22 2HB LEU 22 -13.904 14.544 -13.145 107 HG LEU 22 HG LEU 22 -14.835 15.441 -11.127 108 1HD1 LEU 22 1HD1 LEU 22 -12.642 13.770 -11.145 109 2HD1 LEU 22 2HD1 LEU 22 -12.168 15.003 -9.974 110 3HD1 LEU 22 3HD1 LEU 22 -13.660 14.091 -9.738 111 1HD2 LEU 22 1HD2 LEU 22 -13.943 17.724 -11.377 112 2HD2 LEU 22 2HD2 LEU 22 -13.619 17.097 -9.758 113 3HD2 LEU 22 3HD2 LEU 22 -12.329 17.143 -10.961 114 H GLN 23 H GLN 23 -12.576 13.941 -14.958 115 HA GLN 23 HA GLN 23 -12.105 11.315 -14.094 116 1HB GLN 23 1HB GLN 23 -13.004 12.492 -16.326 117 2HB GLN 23 2HB GLN 23 -11.372 12.116 -16.882 118 1HG GLN 23 1HG GLN 23 -11.667 9.778 -16.472 119 2HG GLN 23 2HG GLN 23 -13.160 10.056 -15.575 120 2HE2 GLN 23 2HE2 GLN 23 -11.909 11.037 -18.828 121 1HE2 GLN 23 1HE2 GLN 23 -13.325 10.604 -19.658 122 H GLN 24 H GLN 24 -9.816 13.311 -16.007 123 HA GLN 24 HA GLN 24 -7.606 11.519 -15.818 124 1HB GLN 24 1HB GLN 24 -8.257 14.073 -16.879 125 2HB GLN 24 2HB GLN 24 -6.790 14.280 -15.921 126 1HG GLN 24 1HG GLN 24 -6.242 11.938 -17.221 127 2HG GLN 24 2HG GLN 24 -7.201 12.786 -18.435 128 2HE2 GLN 24 2HE2 GLN 24 -4.127 12.756 -16.754 129 1HE2 GLN 24 1HE2 GLN 24 -3.445 14.077 -17.575 130 H LYS 25 H LYS 25 -8.504 14.328 -13.792 131 HA LYS 25 HA LYS 25 -6.276 14.426 -12.080 132 1HB LYS 25 1HB LYS 25 -9.148 15.139 -12.027 133 2HB LYS 25 2HB LYS 25 -8.390 14.998 -10.441 134 1HG LYS 25 1HG LYS 25 -6.995 16.789 -10.792 135 2HG LYS 25 2HG LYS 25 -6.865 16.480 -12.523 136 1HD LYS 25 1HD LYS 25 -8.700 17.743 -13.023 137 2HD LYS 25 2HD LYS 25 -9.562 17.247 -11.566 138 1HE LYS 25 1HE LYS 25 -8.475 18.861 -10.224 139 2HE LYS 25 2HE LYS 25 -7.168 19.088 -11.403 140 1HZ LYS 25 1HZ LYS 25 -10.003 19.622 -12.070 141 2HZ LYS 25 2HZ LYS 25 -9.002 20.822 -11.411 142 3HZ LYS 25 3HZ LYS 25 -8.613 20.122 -12.910 143 H ILE 26 H ILE 26 -9.272 12.507 -11.619 144 HA ILE 26 HA ILE 26 -8.380 11.178 -9.231 145 HB ILE 26 HB ILE 26 -10.406 10.452 -11.371 146 1HG1 ILE 26 1HG1 ILE 26 -10.760 11.779 -8.665 147 2HG1 ILE 26 2HG1 ILE 26 -10.726 12.646 -10.201 148 1HG2 ILE 26 1HG2 ILE 26 -9.433 8.913 -9.187 149 2HG2 ILE 26 2HG2 ILE 26 -11.042 9.479 -8.741 150 3HG2 ILE 26 3HG2 ILE 26 -10.812 8.557 -10.227 151 1HD1 ILE 26 1HD1 ILE 26 -12.691 10.449 -9.488 152 2HD1 ILE 26 2HD1 ILE 26 -13.049 12.176 -9.460 153 3HD1 ILE 26 3HD1 ILE 26 -12.672 11.377 -10.987 154 H HIS 27 H HIS 27 -8.696 9.878 -12.565 155 HA HIS 27 HA HIS 27 -7.397 7.409 -12.137 156 1HB HIS 27 1HB HIS 27 -8.684 8.135 -14.145 157 2HB HIS 27 2HB HIS 27 -7.352 9.202 -14.588 158 HD1 HIS 27 HD1 HIS 27 -6.577 7.971 -16.684 159 HD2 HIS 27 HD2 HIS 27 -6.774 5.489 -13.339 160 HE1 HIS 27 HE1 HIS 27 -5.476 5.788 -17.345 161 H GLU 28 H GLU 28 -6.047 10.616 -12.330 162 HA GLU 28 HA GLU 28 -3.334 9.787 -13.015 163 1HB GLU 28 1HB GLU 28 -4.805 12.255 -12.183 164 2HB GLU 28 2HB GLU 28 -3.050 12.248 -12.000 165 1HG GLU 28 1HG GLU 28 -4.416 11.440 -14.575 166 2HG GLU 28 2HG GLU 28 -3.929 13.102 -14.241 167 H LEU 29 H LEU 29 -4.993 10.767 -9.998 168 HA LEU 29 HA LEU 29 -2.641 10.365 -8.333 169 1HB LEU 29 1HB LEU 29 -5.610 10.628 -7.761 170 2HB LEU 29 2HB LEU 29 -4.351 10.684 -6.526 171 HG LEU 29 HG LEU 29 -4.130 12.505 -8.896 172 1HD1 LEU 29 1HD1 LEU 29 -6.478 12.696 -7.991 173 2HD1 LEU 29 2HD1 LEU 29 -5.780 13.139 -6.434 174 3HD1 LEU 29 3HD1 LEU 29 -5.526 14.174 -7.840 175 1HD2 LEU 29 1HD2 LEU 29 -2.493 12.087 -6.827 176 2HD2 LEU 29 2HD2 LEU 29 -2.704 13.697 -7.517 177 3HD2 LEU 29 3HD2 LEU 29 -3.574 13.243 -6.051 178 H GLU 30 H GLU 30 -5.570 8.458 -9.052 179 HA GLU 30 HA GLU 30 -5.189 6.340 -7.210 180 1HB GLU 30 1HB GLU 30 -7.113 6.939 -8.846 181 2HB GLU 30 2HB GLU 30 -6.205 6.002 -10.033 182 1HG GLU 30 1HG GLU 30 -6.374 4.568 -7.521 183 2HG GLU 30 2HG GLU 30 -7.984 4.997 -8.100 184 H GLY 31 H GLY 31 -3.876 6.773 -10.501 185 1HA GLY 31 2HA GLY 31 -2.202 5.580 -11.641 186 2HA GLY 31 1HA GLY 31 -2.557 4.210 -10.587 187 H LEU 32 H LEU 32 -1.713 7.334 -9.253 188 HA LEU 32 HA LEU 32 1.137 6.730 -8.959 189 1HB LEU 32 1HB LEU 32 -0.128 8.997 -9.178 190 2HB LEU 32 2HB LEU 32 -0.450 8.808 -7.454 191 HG LEU 32 HG LEU 32 2.100 8.382 -7.238 192 1HD1 LEU 32 1HD1 LEU 32 2.487 8.141 -9.678 193 2HD1 LEU 32 2HD1 LEU 32 1.995 9.818 -9.909 194 3HD1 LEU 32 3HD1 LEU 32 3.454 9.446 -8.990 195 1HD2 LEU 32 1HD2 LEU 32 0.683 10.495 -6.653 196 2HD2 LEU 32 2HD2 LEU 32 2.434 10.664 -6.770 197 3HD2 LEU 32 3HD2 LEU 32 1.407 11.184 -8.106 198 H MET 33 H MET 33 -1.781 6.335 -7.040 199 HA MET 33 HA MET 33 -0.453 5.914 -4.494 200 1HB MET 33 1HB MET 33 -2.771 6.639 -4.678 201 2HB MET 33 2HB MET 33 -3.185 5.196 -5.603 202 1HG MET 33 1HG MET 33 -1.890 4.539 -3.069 203 2HG MET 33 2HG MET 33 -3.368 5.471 -2.837 204 1HE MET 33 1HE MET 33 -5.434 5.114 -4.039 205 2HE MET 33 2HE MET 33 -6.188 3.526 -4.145 206 3HE MET 33 3HE MET 33 -5.670 4.144 -2.578 207 H MET 34 H MET 34 -2.108 3.624 -6.715 208 HA MET 34 HA MET 34 -1.359 1.222 -5.441 209 1HB MET 34 1HB MET 34 -2.794 1.963 -7.618 210 2HB MET 34 2HB MET 34 -1.360 1.312 -8.413 211 1HG MET 34 1HG MET 34 -2.568 -0.641 -8.186 212 2HG MET 34 2HG MET 34 -1.727 -0.649 -6.636 213 1HE MET 34 1HE MET 34 -3.213 -2.178 -5.631 214 2HE MET 34 2HE MET 34 -3.007 -0.930 -4.404 215 3HE MET 34 3HE MET 34 -4.598 -1.637 -4.672 216 H GLN 35 H GLN 35 0.449 3.198 -7.778 217 HA GLN 35 HA GLN 35 2.570 1.475 -8.425 218 1HB GLN 35 1HB GLN 35 2.209 3.669 -9.422 219 2HB GLN 35 2HB GLN 35 2.499 4.459 -7.874 220 1HG GLN 35 2HG GLN 35 4.659 4.624 -8.516 221 2HG GLN 35 1HG GLN 35 4.767 2.887 -8.238 222 2HE2 GLN 35 2HE2 GLN 35 4.452 5.367 -10.738 223 1HE2 GLN 35 1HE2 GLN 35 4.697 4.325 -12.055 224 H HIS 36 H HIS 36 3.036 4.083 -6.042 225 HA HIS 36 HA HIS 36 5.300 3.121 -4.753 226 1HB HIS 36 1HB HIS 36 2.880 4.656 -3.805 227 2HB HIS 36 2HB HIS 36 4.279 4.406 -2.761 228 HD1 HIS 36 HD1 HIS 36 3.237 7.160 -4.212 229 HD2 HIS 36 HD2 HIS 36 6.564 4.855 -5.213 230 HE1 HIS 36 HE1 HIS 36 4.820 8.693 -5.461 231 H ALA 37 H ALA 37 1.934 2.496 -3.641 232 HA ALA 37 HA ALA 37 2.449 0.778 -1.489 233 1HB ALA 37 1HB ALA 37 0.189 0.019 -1.866 234 2HB ALA 37 3HB ALA 37 0.251 1.702 -2.389 235 3HB ALA 37 2HB ALA 37 0.285 0.407 -3.585 236 H GLN 38 H GLN 38 2.208 -0.048 -4.961 237 HA GLN 38 HA GLN 38 2.682 -2.876 -4.631 238 1HB GLN 38 1HB GLN 38 2.771 -0.843 -6.848 239 2HB GLN 38 2HB GLN 38 3.365 -2.476 -7.149 240 1HG GLN 38 1HG GLN 38 1.206 -3.403 -6.391 241 2HG GLN 38 2HG GLN 38 0.608 -1.770 -6.100 242 2HE2 GLN 38 2HE2 GLN 38 -1.088 -2.348 -7.780 243 1HE2 GLN 38 1HE2 GLN 38 -0.686 -2.198 -9.423 244 H ASN 39 H ASN 39 4.752 -0.045 -5.004 245 HA ASN 39 HA ASN 39 7.202 -1.694 -5.234 246 1HB ASN 39 2HB ASN 39 6.762 1.306 -5.033 247 2HB ASN 39 1HB ASN 39 8.254 0.507 -5.532 248 2HD2 ASN 39 2HD2 ASN 39 7.227 2.239 -7.391 249 1HD2 ASN 39 1HD2 ASN 39 6.481 1.400 -8.664 250 H LEU 40 H LEU 40 5.296 -1.273 -2.731 251 HA LEU 40 HA LEU 40 5.589 -1.242 -0.408 252 1HB LEU 40 1HB LEU 40 7.953 -2.336 -1.664 253 2HB LEU 40 2HB LEU 40 8.400 -1.482 -0.186 254 HG LEU 40 HG LEU 40 5.994 -3.233 -0.052 255 1HD1 LEU 40 1HD1 LEU 40 8.813 -4.203 -0.478 256 2HD1 LEU 40 2HD1 LEU 40 7.699 -5.132 0.526 257 3HD1 LEU 40 3HD1 LEU 40 7.312 -4.822 -1.167 258 1HD2 LEU 40 1HD2 LEU 40 8.150 -2.170 1.704 259 2HD2 LEU 40 2HD2 LEU 40 6.431 -2.384 2.037 260 3HD2 LEU 40 3HD2 LEU 40 7.523 -3.766 2.116 261 H GLU 41 H GLU 41 5.881 1.304 -2.016 262 HA GLU 41 HA GLU 41 7.896 2.906 -0.621 263 1HB GLU 41 1HB GLU 41 5.979 3.122 -2.806 264 2HB GLU 41 2HB GLU 41 5.962 4.567 -1.794 265 1HG GLU 41 2HG GLU 41 8.425 3.311 -3.043 266 2HG GLU 41 1HG GLU 41 7.634 4.791 -3.588 267 H PHE 42 H PHE 42 4.350 2.594 -0.527 268 HA PHE 42 HA PHE 42 2.784 3.273 1.096 269 1HB PHE 42 1HB PHE 42 5.216 2.191 2.450 270 2HB PHE 42 2HB PHE 42 3.992 2.947 3.472 271 HD1 PHE 42 HD1 PHE 42 1.465 2.303 2.185 272 HD2 PHE 42 HD2 PHE 42 4.991 -0.145 2.648 273 HE1 PHE 42 HE1 PHE 42 0.059 0.251 2.030 274 HE2 PHE 42 HE2 PHE 42 3.585 -2.197 2.493 275 HZ PHE 42 HZ PHE 42 1.120 -1.997 2.187 276 H GLU 43 H GLU 43 2.683 4.698 3.227 277 HA GLU 43 HA GLU 43 2.810 6.810 4.222 278 1HB GLU 43 1HB GLU 43 5.197 6.323 4.443 279 2HB GLU 43 2HB GLU 43 5.482 6.788 2.768 280 1HG GLU 43 1HG GLU 43 4.519 9.066 3.367 281 2HG GLU 43 2HG GLU 43 4.637 8.566 5.055 282 H GLU 44 H GLU 44 4.322 7.102 1.040 283 HA GLU 44 HA GLU 44 2.768 9.510 0.399 284 1HB GLU 44 2HB GLU 44 4.129 9.451 -1.643 285 2HB GLU 44 1HB GLU 44 5.157 9.140 -0.244 286 1HG GLU 44 1HG GLU 44 5.123 6.753 -0.675 287 2HG GLU 44 2HG GLU 44 3.937 6.961 -1.963 288 H ALA 45 H ALA 45 2.717 6.059 -0.339 289 HA ALA 45 HA ALA 45 0.754 6.302 -2.498 290 1HB ALA 45 1HB ALA 45 1.173 3.744 -1.055 291 2HB ALA 45 3HB ALA 45 2.622 4.484 -1.737 292 3HB ALA 45 2HB ALA 45 1.258 4.087 -2.782 293 H ALA 46 H ALA 46 0.662 5.084 0.874 294 HA ALA 46 HA ALA 46 -2.170 4.546 0.847 295 1HB ALA 46 1HB ALA 46 -0.486 5.179 3.270 296 2HB ALA 46 3HB ALA 46 -0.258 3.685 2.360 297 3HB ALA 46 2HB ALA 46 -1.809 4.020 3.127 298 H GLN 47 H GLN 47 -0.326 7.463 1.251 299 HA GLN 47 HA GLN 47 -2.377 8.934 2.727 300 1HB GLN 47 1HB GLN 47 0.264 9.400 1.446 301 2HB GLN 47 2HB GLN 47 -0.783 10.810 1.600 302 1HG GLN 47 1HG GLN 47 -1.119 10.012 4.054 303 2HG GLN 47 2HG GLN 47 0.338 9.058 3.776 304 2HE2 GLN 47 2HE2 GLN 47 2.081 10.593 2.459 305 1HE2 GLN 47 1HE2 GLN 47 2.343 12.091 3.214 306 H ILE 48 H ILE 48 -1.209 8.966 -0.669 307 HA ILE 48 HA ILE 48 -3.001 10.836 -1.763 308 HB ILE 48 HB ILE 48 -1.897 8.236 -2.879 309 1HG1 ILE 48 1HG1 ILE 48 -0.900 11.041 -3.380 310 2HG1 ILE 48 2HG1 ILE 48 -0.346 10.113 -1.986 311 1HG2 ILE 48 1HG2 ILE 48 -3.124 10.632 -4.273 312 2HG2 ILE 48 2HG2 ILE 48 -2.236 9.350 -5.097 313 3HG2 ILE 48 3HG2 ILE 48 -3.750 8.983 -4.268 314 1HD1 ILE 48 1HD1 ILE 48 0.151 8.230 -3.701 315 2HD1 ILE 48 2HD1 ILE 48 0.029 9.504 -4.914 316 3HD1 ILE 48 3HD1 ILE 48 1.250 9.609 -3.646 317 H ARG 49 H ARG 49 -3.525 7.467 -0.867 318 HA ARG 49 HA ARG 49 -5.986 6.924 -2.137 319 1HB ARG 49 1HB ARG 49 -4.846 5.182 -1.014 320 2HB ARG 49 2HB ARG 49 -4.645 6.135 0.451 321 1HG ARG 49 1HG ARG 49 -7.461 5.817 -0.129 322 2HG ARG 49 2HG ARG 49 -6.669 4.242 -0.098 323 1HD ARG 49 1HD ARG 49 -7.475 4.975 2.171 324 2HD ARG 49 2HD ARG 49 -5.719 4.728 2.117 325 HE ARG 49 HE ARG 49 -5.524 7.227 1.761 326 1HH1 ARG 49 1HH1 ARG 49 -8.770 6.810 1.745 327 2HH1 ARG 49 2HH1 ARG 49 -9.127 7.823 3.105 328 1HH2 ARG 49 1HH2 ARG 49 -5.815 8.120 4.090 329 2HH2 ARG 49 2HH2 ARG 49 -7.454 8.564 4.431 330 H ASP 50 H ASP 50 -5.230 9.050 0.538 331 HA ASP 50 HA ASP 50 -7.991 9.312 1.483 332 1HB ASP 50 1HB ASP 50 -5.640 9.650 2.651 333 2HB ASP 50 2HB ASP 50 -5.780 11.282 1.997 334 H GLN 51 H GLN 51 -5.862 10.953 -0.797 335 HA GLN 51 HA GLN 51 -7.466 13.348 -1.098 336 1HB GLN 51 2HB GLN 51 -5.456 11.994 -2.929 337 2HB GLN 51 1HB GLN 51 -5.984 13.673 -3.050 338 1HG GLN 51 1HG GLN 51 -5.027 14.200 -0.894 339 2HG GLN 51 2HG GLN 51 -4.668 12.501 -0.585 340 2HE2 GLN 51 2HE2 GLN 51 -4.188 14.038 -3.757 341 1HE2 GLN 51 1HE2 GLN 51 -2.494 13.933 -3.740 342 H LEU 52 H LEU 52 -7.262 10.250 -2.856 343 HA LEU 52 HA LEU 52 -8.938 10.799 -5.049 344 1HB LEU 52 1HB LEU 52 -7.942 8.512 -3.528 345 2HB LEU 52 2HB LEU 52 -9.534 8.197 -4.221 346 HG LEU 52 HG LEU 52 -7.740 7.570 -5.798 347 1HD1 LEU 52 1HD1 LEU 52 -9.810 9.586 -6.316 348 2HD1 LEU 52 2HD1 LEU 52 -8.509 9.605 -7.507 349 3HD1 LEU 52 3HD1 LEU 52 -9.417 8.122 -7.218 350 1HD2 LEU 52 1HD2 LEU 52 -6.182 9.404 -4.875 351 2HD2 LEU 52 2HD2 LEU 52 -6.160 9.146 -6.620 352 3HD2 LEU 52 3HD2 LEU 52 -7.050 10.509 -5.942 353 H HIS 53 H HIS 53 -9.780 10.194 -1.675 354 HA HIS 53 HA HIS 53 -12.646 9.897 -2.194 355 1HB HIS 53 1HB HIS 53 -10.724 9.746 0.011 356 2HB HIS 53 2HB HIS 53 -12.246 10.496 0.495 357 HD1 HIS 53 HD1 HIS 53 -11.172 7.431 -1.526 358 HD2 HIS 53 HD2 HIS 53 -14.142 8.610 1.152 359 HE1 HIS 53 HE1 HIS 53 -12.623 5.395 -1.123 360 H GLN 54 H GLN 54 -10.469 12.482 -1.086 361 HA GLN 54 HA GLN 54 -12.522 14.397 -0.439 362 1HB GLN 54 1HB GLN 54 -9.977 14.256 0.122 363 2HB GLN 54 2HB GLN 54 -9.753 15.056 -1.434 364 1HG GLN 54 1HG GLN 54 -11.206 16.901 -0.722 365 2HG GLN 54 2HG GLN 54 -11.496 16.095 0.820 366 2HE2 GLN 54 2HE2 GLN 54 -9.352 18.219 -0.857 367 1HE2 GLN 54 1HE2 GLN 54 -8.142 18.290 0.332 368 H LEU 55 H LEU 55 -10.668 13.721 -3.406 369 HA LEU 55 HA LEU 55 -11.525 15.936 -4.967 370 1HB LEU 55 1HB LEU 55 -10.360 13.250 -5.327 371 2HB LEU 55 2HB LEU 55 -11.246 13.841 -6.734 372 HG LEU 55 HG LEU 55 -9.576 15.917 -5.543 373 1HD1 LEU 55 1HD1 LEU 55 -8.451 13.254 -5.790 374 2HD1 LEU 55 2HD1 LEU 55 -7.647 14.376 -6.887 375 3HD1 LEU 55 3HD1 LEU 55 -7.703 14.721 -5.159 376 1HD2 LEU 55 1HD2 LEU 55 -10.282 14.772 -8.188 377 2HD2 LEU 55 2HD2 LEU 55 -10.157 16.459 -7.691 378 3HD2 LEU 55 3HD2 LEU 55 -8.701 15.546 -8.089 379 H ARG 56 H ARG 56 -13.248 13.095 -3.925 380 HA ARG 56 HA ARG 56 -15.212 12.754 -5.908 381 1HB ARG 56 1HB ARG 56 -14.894 11.351 -3.903 382 2HB ARG 56 2HB ARG 56 -15.455 12.675 -2.881 383 1HG ARG 56 1HG ARG 56 -17.536 12.554 -4.583 384 2HG ARG 56 2HG ARG 56 -17.010 10.872 -4.669 385 1HD ARG 56 1HD ARG 56 -17.264 10.577 -2.293 386 2HD ARG 56 2HD ARG 56 -17.495 12.320 -2.045 387 HE ARG 56 HE ARG 56 -19.676 12.148 -3.066 388 1HH1 ARG 56 1HH1 ARG 56 -18.995 10.063 -5.127 389 2HH1 ARG 56 2HH1 ARG 56 -19.879 8.690 -4.549 390 1HH2 ARG 56 1HH2 ARG 56 -20.360 10.001 -1.375 391 2HH2 ARG 56 2HH2 ARG 56 -20.652 8.655 -2.426 392 H GLU 57 H GLU 57 -15.381 14.935 -3.061 393 HA GLU 57 HA GLU 57 -17.873 16.146 -3.635 394 1HB GLU 57 2HB GLU 57 -15.382 17.395 -2.428 395 2HB GLU 57 1HB GLU 57 -17.046 17.905 -2.146 396 1HG GLU 57 1HG GLU 57 -17.372 15.395 -1.404 397 2HG GLU 57 2HG GLU 57 -15.626 15.453 -1.164 398 H LEU 58 H LEU 58 -14.593 17.100 -4.687 399 HA LEU 58 HA LEU 58 -15.198 19.483 -6.055 400 1HB LEU 58 1HB LEU 58 -13.066 17.654 -5.758 401 2HB LEU 58 2HB LEU 58 -13.297 17.840 -7.497 402 HG LEU 58 HG LEU 58 -13.422 20.355 -5.948 403 1HD1 LEU 58 1HD1 LEU 58 -11.582 18.958 -4.848 404 2HD1 LEU 58 2HD1 LEU 58 -10.738 19.034 -6.394 405 3HD1 LEU 58 3HD1 LEU 58 -11.082 20.516 -5.504 406 1HD2 LEU 58 1HD2 LEU 58 -13.362 19.838 -8.541 407 2HD2 LEU 58 2HD2 LEU 58 -12.506 21.241 -7.900 408 3HD2 LEU 58 3HD2 LEU 58 -11.620 19.764 -8.275 409 H PHE 59 H PHE 59 -15.987 16.190 -6.905 410 HA PHE 59 HA PHE 59 -16.281 16.296 -9.697 411 1HB PHE 59 1HB PHE 59 -16.582 14.309 -8.268 412 2HB PHE 59 2HB PHE 59 -18.056 15.008 -7.596 413 HD1 PHE 59 HD1 PHE 59 -16.499 13.529 -10.614 414 HD2 PHE 59 HD2 PHE 59 -20.124 15.112 -8.886 415 HE1 PHE 59 HE1 PHE 59 -17.813 12.593 -12.514 416 HE2 PHE 59 HE2 PHE 59 -21.439 14.175 -10.786 417 HZ PHE 59 HZ PHE 59 -20.284 12.915 -12.600 418 H ILE 60 H ILE 60 -18.497 17.489 -7.176 419 HA ILE 60 HA ILE 60 -20.614 18.245 -9.005 420 HB ILE 60 HB ILE 60 -19.878 19.108 -6.189 421 1HG1 ILE 60 1HG1 ILE 60 -22.113 17.241 -6.908 422 2HG1 ILE 60 2HG1 ILE 60 -20.463 16.618 -6.889 423 1HG2 ILE 60 1HG2 ILE 60 -21.729 20.275 -7.932 424 2HG2 ILE 60 2HG2 ILE 60 -22.697 19.207 -6.915 425 3HG2 ILE 60 3HG2 ILE 60 -21.690 20.454 -6.178 426 1HD1 ILE 60 1HD1 ILE 60 -20.538 18.053 -4.552 427 2HD1 ILE 60 2HD1 ILE 60 -22.186 17.434 -4.643 428 3HD1 ILE 60 3HD1 ILE 60 -20.821 16.316 -4.667 429 H ALA 61 H ALA 61 -17.821 19.930 -7.596 430 HA ALA 61 HA ALA 61 -18.499 22.584 -8.422 431 1HB ALA 61 1HB ALA 61 -16.641 21.532 -6.859 432 2HB ALA 61 3HB ALA 61 -15.678 21.553 -8.337 433 3HB ALA 61 2HB ALA 61 -16.331 23.057 -7.688 434 H ALA 62 H ALA 62 -17.305 19.831 -10.195 435 HA ALA 62 HA ALA 62 -16.523 21.536 -12.512 436 1HB ALA 62 1HB ALA 62 -16.298 18.543 -12.050 437 2HB ALA 62 3HB ALA 62 -15.484 19.475 -13.307 438 3HB ALA 62 2HB ALA 62 -15.049 19.710 -11.614 439 H SER 63 H SER 63 -18.239 18.405 -12.177 440 HA SER 63 HA SER 63 -19.822 18.937 -14.584 441 1HB SER 63 1HB SER 63 -20.576 16.684 -14.220 442 2HB SER 63 2HB SER 63 -18.878 16.717 -13.753 443 HG SER 63 HG SER 63 -19.430 16.563 -11.683 444 H LEU 8 H LEU 8 10.985 -31.312 -3.036 445 HA LEU 8 HA LEU 8 8.561 -31.750 -2.216 446 1HB LEU 8 1HB LEU 8 9.701 -34.320 -2.729 447 2HB LEU 8 2HB LEU 8 9.252 -34.262 -1.024 448 HG LEU 8 HG LEU 8 7.365 -35.049 -2.405 449 1HD1 LEU 8 1HD1 LEU 8 7.030 -33.607 -0.344 450 2HD1 LEU 8 2HD1 LEU 8 6.838 -32.230 -1.429 451 3HD1 LEU 8 3HD1 LEU 8 5.695 -33.572 -1.497 452 1HD2 LEU 8 1HD2 LEU 8 8.303 -33.067 -4.181 453 2HD2 LEU 8 2HD2 LEU 8 6.888 -34.098 -4.394 454 3HD2 LEU 8 3HD2 LEU 8 6.717 -32.512 -3.644 455 H GLU 9 H GLU 9 8.711 -30.388 -0.468 456 HA GLU 9 HA GLU 9 9.391 -29.536 1.630 457 1HB GLU 9 1HB GLU 9 8.566 -32.071 1.894 458 2HB GLU 9 2HB GLU 9 10.246 -32.301 2.383 459 1HG GLU 9 2HG GLU 9 9.662 -31.552 4.427 460 2HG GLU 9 1HG GLU 9 9.427 -29.962 3.699 461 HA PRO 10 HA PRO 10 13.834 -29.636 0.418 462 1HB PRO 10 1HB PRO 10 14.203 -26.929 0.575 463 2HB PRO 10 2HB PRO 10 13.588 -27.736 -0.880 464 1HG PRO 10 2HG PRO 10 12.108 -26.248 1.226 465 2HG PRO 10 1HG PRO 10 11.844 -26.289 -0.523 466 1HD PRO 10 1HD PRO 10 10.334 -27.690 1.269 467 2HD PRO 10 2HD PRO 10 10.580 -28.191 -0.419 468 H ASP 11 H ASP 11 12.339 -27.507 2.874 469 HA ASP 11 HA ASP 11 12.902 -27.129 5.132 470 1HB ASP 11 1HB ASP 11 13.506 -29.868 4.461 471 2HB ASP 11 2HB ASP 11 14.694 -29.277 5.622 472 H ASN 12 H ASN 12 15.937 -28.744 4.227 473 HA ASN 12 HA ASN 12 17.356 -26.150 4.059 474 1HB ASN 12 2HB ASN 12 18.830 -26.773 5.952 475 2HB ASN 12 1HB ASN 12 17.148 -26.657 6.469 476 2HD2 ASN 12 2HD2 ASN 12 19.740 -28.975 5.686 477 1HD2 ASN 12 1HD2 ASN 12 19.006 -30.304 6.444 478 H VAL 13 H VAL 13 16.861 -28.762 2.475 479 HA VAL 13 HA VAL 13 19.372 -30.162 2.308 480 HB VAL 13 HB VAL 13 16.804 -29.937 0.793 481 1HG1 VAL 13 1HG1 VAL 13 19.391 -30.895 -0.397 482 2HG1 VAL 13 2HG1 VAL 13 17.899 -31.749 -0.791 483 3HG1 VAL 13 3HG1 VAL 13 18.061 -30.034 -1.172 484 1HG2 VAL 13 1HG2 VAL 13 17.573 -31.530 2.764 485 2HG2 VAL 13 2HG2 VAL 13 16.531 -32.129 1.474 486 3HG2 VAL 13 3HG2 VAL 13 18.262 -32.467 1.438 487 HA PRO 14 HA PRO 14 20.358 -27.350 -1.410 488 1HB PRO 14 1HB PRO 14 18.649 -25.314 -2.043 489 2HB PRO 14 2HB PRO 14 18.461 -26.956 -2.693 490 1HG PRO 14 2HG PRO 14 16.986 -25.611 -0.494 491 2HG PRO 14 1HG PRO 14 16.406 -26.762 -1.708 492 1HD PRO 14 1HD PRO 14 16.982 -27.419 0.898 493 2HD PRO 14 2HD PRO 14 16.990 -28.560 -0.458 494 H MET 15 H MET 15 18.394 -25.425 0.868 495 HA MET 15 HA MET 15 20.671 -24.282 2.191 496 1HB MET 15 1HB MET 15 20.344 -23.279 -0.301 497 2HB MET 15 2HB MET 15 19.281 -22.191 0.593 498 1HG MET 15 2HG MET 15 21.306 -21.073 0.807 499 2HG MET 15 1HG MET 15 21.330 -22.070 2.262 500 1HE MET 15 1HE MET 15 22.332 -21.240 -1.052 501 2HE MET 15 2HE MET 15 23.929 -20.978 -0.358 502 3HE MET 15 3HE MET 15 23.694 -22.254 -1.548 503 H ASP 16 H ASP 16 19.878 -22.280 3.547 504 HA ASP 16 HA ASP 16 17.006 -22.010 3.967 505 1HB ASP 16 1HB ASP 16 17.693 -24.299 4.886 506 2HB ASP 16 2HB ASP 16 18.609 -23.422 6.112 507 H MET 17 H MET 17 18.153 -19.810 3.626 508 HA MET 17 HA MET 17 19.947 -18.620 5.433 509 1HB MET 17 1HB MET 17 18.866 -16.512 4.672 510 2HB MET 17 2HB MET 17 19.130 -17.629 3.331 511 1HG MET 17 1HG MET 17 16.768 -18.439 3.626 512 2HG MET 17 2HG MET 17 16.533 -17.163 4.822 513 1HE MET 17 1HE MET 17 16.886 -18.387 1.497 514 2HE MET 17 2HE MET 17 15.267 -17.686 1.364 515 3HE MET 17 3HE MET 17 16.580 -17.078 0.359 516 H SER 18 H SER 18 16.422 -19.025 5.723 517 HA SER 18 HA SER 18 16.542 -17.861 8.476 518 1HB SER 18 1HB SER 18 14.296 -18.413 6.514 519 2HB SER 18 2HB SER 18 14.042 -17.775 8.135 520 HG SER 18 HG SER 18 14.222 -16.011 6.862 521 HA PRO 19 HA PRO 19 16.134 -21.980 10.067 522 1HB PRO 19 1HB PRO 19 15.219 -21.373 12.573 523 2HB PRO 19 2HB PRO 19 16.908 -21.141 12.079 524 1HG PRO 19 2HG PRO 19 14.699 -19.150 12.255 525 2HG PRO 19 1HG PRO 19 16.390 -18.986 12.743 526 1HD PRO 19 1HD PRO 19 15.449 -17.955 10.430 527 2HD PRO 19 2HD PRO 19 17.110 -18.558 10.597 528 H LYS 20 H LYS 20 14.027 -21.554 8.372 529 HA LYS 20 HA LYS 20 11.789 -22.125 7.948 530 1HB LYS 20 1HB LYS 20 11.756 -23.530 10.611 531 2HB LYS 20 2HB LYS 20 11.057 -24.039 9.083 532 1HG LYS 20 2HG LYS 20 12.882 -25.379 8.931 533 2HG LYS 20 1HG LYS 20 13.734 -23.906 8.461 534 1HD LYS 20 1HD LYS 20 14.966 -23.980 10.336 535 2HD LYS 20 2HD LYS 20 13.502 -23.973 11.322 536 1HE LYS 20 2HE LYS 20 14.501 -26.026 11.926 537 2HE LYS 20 1HE LYS 20 13.385 -26.528 10.640 538 1HZ LYS 20 1HZ LYS 20 15.223 -26.103 9.041 539 2HZ LYS 20 2HZ LYS 20 16.272 -25.886 10.362 540 3HZ LYS 20 3HZ LYS 20 15.531 -27.390 10.107 541 H ALA 21 H ALA 21 11.592 -21.932 11.529 542 HA ALA 21 HA ALA 21 9.106 -20.672 11.721 543 1HB ALA 21 1HB ALA 21 11.625 -20.324 13.381 544 2HB ALA 21 3HB ALA 21 10.013 -19.848 13.916 545 3HB ALA 21 2HB ALA 21 10.376 -21.548 13.615 546 H LEU 22 H LEU 22 12.298 -19.087 11.469 547 HA LEU 22 HA LEU 22 11.308 -16.383 11.433 548 1HB LEU 22 1HB LEU 22 13.725 -17.692 11.548 549 2HB LEU 22 2HB LEU 22 13.757 -17.044 9.913 550 HG LEU 22 HG LEU 22 14.745 -15.387 11.333 551 1HD1 LEU 22 1HD1 LEU 22 12.530 -14.884 9.769 552 2HD1 LEU 22 2HD1 LEU 22 12.099 -14.111 11.295 553 3HD1 LEU 22 3HD1 LEU 22 13.583 -13.648 10.462 554 1HD2 LEU 22 1HD2 LEU 22 13.879 -16.267 13.464 555 2HD2 LEU 22 2HD2 LEU 22 13.582 -14.531 13.336 556 3HD2 LEU 22 3HD2 LEU 22 12.266 -15.673 13.058 557 H GLN 23 H GLN 23 12.381 -18.584 8.840 558 HA GLN 23 HA GLN 23 11.894 -16.994 6.582 559 1HB GLN 23 1HB GLN 23 12.759 -19.486 7.050 560 2HB GLN 23 2HB GLN 23 11.110 -19.882 6.563 561 1HG GLN 23 1HG GLN 23 11.382 -18.821 4.436 562 2HG GLN 23 2HG GLN 23 12.899 -18.069 4.930 563 2HE2 GLN 23 2HE2 GLN 23 11.589 -21.444 4.961 564 1HE2 GLN 23 1HE2 GLN 23 12.980 -22.140 4.280 565 H GLN 24 H GLN 24 9.590 -19.360 7.989 566 HA GLN 24 HA GLN 24 7.361 -18.624 6.368 567 1HB GLN 24 1HB GLN 24 8.023 -20.386 8.497 568 2HB GLN 24 2HB GLN 24 6.580 -19.503 8.999 569 1HG GLN 24 1HG GLN 24 5.972 -20.066 6.393 570 2HG GLN 24 2HG GLN 24 6.915 -21.489 6.838 571 2HE2 GLN 24 2HE2 GLN 24 3.879 -19.817 7.351 572 1HE2 GLN 24 1HE2 GLN 24 3.196 -20.970 8.394 573 H LYS 25 H LYS 25 8.341 -17.509 9.623 574 HA LYS 25 HA LYS 25 6.154 -15.859 10.251 575 1HB LYS 25 1HB LYS 25 9.036 -16.062 10.895 576 2HB LYS 25 2HB LYS 25 8.311 -14.490 11.230 577 1HG LYS 25 1HG LYS 25 6.933 -15.316 12.870 578 2HG LYS 25 2HG LYS 25 6.760 -16.884 12.080 579 1HD LYS 25 1HD LYS 25 8.600 -17.757 13.111 580 2HD LYS 25 2HD LYS 25 9.487 -16.235 13.037 581 1HE LYS 25 1HE LYS 25 8.452 -15.393 14.990 582 2HE LYS 25 2HE LYS 25 7.124 -16.567 14.893 583 1HZ LYS 25 1HZ LYS 25 9.950 -17.407 15.159 584 2HZ LYS 25 2HZ LYS 25 8.979 -17.104 16.516 585 3HZ LYS 25 3HZ LYS 25 8.549 -18.331 15.423 586 H ILE 26 H ILE 26 9.134 -14.917 8.488 587 HA ILE 26 HA ILE 26 8.276 -12.233 7.919 588 HB ILE 26 HB ILE 26 10.245 -14.108 6.570 589 1HG1 ILE 26 1HG1 ILE 26 10.676 -11.904 8.611 590 2HG1 ILE 26 2HG1 ILE 26 10.620 -13.624 9.001 591 1HG2 ILE 26 1HG2 ILE 26 9.300 -11.558 5.742 592 2HG2 ILE 26 2HG2 ILE 26 10.926 -11.322 6.382 593 3HG2 ILE 26 3HG2 ILE 26 10.651 -12.476 5.076 594 1HD1 ILE 26 1HD1 ILE 26 12.571 -12.344 7.064 595 2HD1 ILE 26 2HD1 ILE 26 12.952 -12.820 8.719 596 3HD1 ILE 26 3HD1 ILE 26 12.530 -14.046 7.523 597 H HIS 27 H HIS 27 8.501 -15.057 5.710 598 HA HIS 27 HA HIS 27 7.180 -13.915 3.494 599 1HB HIS 27 1HB HIS 27 8.430 -16.069 3.588 600 2HB HIS 27 2HB HIS 27 7.103 -16.776 4.508 601 HD1 HIS 27 HD1 HIS 27 6.266 -18.416 2.742 602 HD2 HIS 27 HD2 HIS 27 6.504 -14.503 1.322 603 HE1 HIS 27 HE1 HIS 27 5.121 -18.403 0.483 604 H GLU 28 H GLU 28 5.868 -14.997 6.534 605 HA GLU 28 HA GLU 28 3.130 -15.368 5.598 606 1HB GLU 28 1HB GLU 28 4.652 -15.306 8.171 607 2HB GLU 28 2HB GLU 28 2.902 -15.100 8.252 608 1HG GLU 28 1HG GLU 28 4.199 -17.356 6.711 609 2HG GLU 28 2HG GLU 28 3.742 -17.506 8.408 610 H LEU 29 H LEU 29 4.869 -12.790 7.370 611 HA LEU 29 HA LEU 29 2.549 -11.040 7.509 612 1HB LEU 29 1HB LEU 29 5.533 -10.618 7.868 613 2HB LEU 29 2HB LEU 29 4.303 -9.430 8.300 614 HG LEU 29 HG LEU 29 4.054 -12.220 9.368 615 1HD1 LEU 29 1HD1 LEU 29 6.422 -11.450 9.765 616 2HD1 LEU 29 2HD1 LEU 29 5.766 -10.072 10.650 617 3HD1 LEU 29 3HD1 LEU 29 5.496 -11.712 11.242 618 1HD2 LEU 29 1HD2 LEU 29 2.457 -10.089 9.593 619 2HD2 LEU 29 2HD2 LEU 29 2.675 -11.215 10.933 620 3HD2 LEU 29 3HD2 LEU 29 3.572 -9.697 10.903 621 H GLU 30 H GLU 30 5.435 -11.229 5.420 622 HA GLU 30 HA GLU 30 5.068 -8.850 3.928 623 1HB GLU 30 1HB GLU 30 6.961 -10.623 3.994 624 2HB GLU 30 2HB GLU 30 6.015 -11.475 2.773 625 1HG GLU 30 1HG GLU 30 6.220 -8.659 2.118 626 2HG GLU 30 2HG GLU 30 7.822 -9.367 2.331 627 H GLY 31 H GLY 31 3.687 -12.103 3.422 628 1HA GLY 31 2HA GLY 31 1.972 -12.823 1.984 629 2HA GLY 31 1HA GLY 31 2.332 -11.426 0.969 630 H LEU 32 H LEU 32 1.561 -11.031 4.359 631 HA LEU 32 HA LEU 32 -1.290 -10.526 3.920 632 1HB LEU 32 1HB LEU 32 0.000 -11.410 6.003 633 2HB LEU 32 2HB LEU 32 0.358 -9.710 6.312 634 HG LEU 32 HG LEU 32 -2.193 -9.337 6.014 635 1HD1 LEU 32 1HD1 LEU 32 -2.637 -11.598 5.090 636 2HD1 LEU 32 2HD1 LEU 32 -2.128 -12.310 6.622 637 3HD1 LEU 32 3HD1 LEU 32 -3.570 -11.298 6.557 638 1HD2 LEU 32 1HD2 LEU 32 -0.735 -9.410 8.179 639 2HD2 LEU 32 2HD2 LEU 32 -2.486 -9.540 8.341 640 3HD2 LEU 32 3HD2 LEU 32 -1.482 -10.986 8.436 641 H MET 33 H MET 33 1.665 -8.626 4.037 642 HA MET 33 HA MET 33 0.390 -6.043 4.390 643 1HB MET 33 1HB MET 33 2.713 -6.471 4.986 644 2HB MET 33 2HB MET 33 3.086 -6.946 3.328 645 1HG MET 33 1HG MET 33 1.838 -4.309 3.457 646 2HG MET 33 2HG MET 33 3.334 -4.380 4.389 647 1HE MET 33 1HE MET 33 5.371 -5.450 3.662 648 2HE MET 33 2HE MET 33 6.100 -5.110 2.094 649 3HE MET 33 3HE MET 33 5.621 -3.778 3.143 650 H MET 34 H MET 34 1.961 -7.542 1.528 651 HA MET 34 HA MET 34 1.209 -5.619 -0.392 652 1HB MET 34 1HB MET 34 2.605 -7.942 -0.336 653 2HB MET 34 2HB MET 34 1.145 -8.491 -1.161 654 1HG MET 34 2HG MET 34 2.332 -7.733 -2.989 655 2HG MET 34 1HG MET 34 1.526 -6.231 -2.535 656 1HE MET 34 1HE MET 34 3.012 -4.855 -3.738 657 2HE MET 34 2HE MET 34 2.850 -4.036 -2.187 658 3HE MET 34 3HE MET 34 4.425 -4.116 -2.972 659 H GLN 35 H GLN 35 -0.624 -8.394 0.864 660 HA GLN 35 HA GLN 35 -2.782 -8.481 -0.932 661 1HB GLN 35 1HB GLN 35 -2.413 -10.073 0.876 662 2HB GLN 35 2HB GLN 35 -2.659 -8.811 2.083 663 1HG GLN 35 2HG GLN 35 -4.830 -9.435 2.099 664 2HG GLN 35 1HG GLN 35 -4.954 -8.669 0.516 665 2HE2 GLN 35 2HE2 GLN 35 -4.662 -11.780 2.168 666 1HE2 GLN 35 1HE2 GLN 35 -4.951 -12.739 0.797 667 H HIS 36 H HIS 36 -3.160 -6.941 2.260 668 HA HIS 36 HA HIS 36 -5.406 -5.390 1.752 669 1HB HIS 36 1HB HIS 36 -2.945 -4.965 3.448 670 2HB HIS 36 2HB HIS 36 -4.325 -3.869 3.535 671 HD1 HIS 36 HD1 HIS 36 -3.279 -6.068 5.737 672 HD2 HIS 36 HD2 HIS 36 -6.659 -6.307 3.306 673 HE1 HIS 36 HE1 HIS 36 -4.870 -7.677 6.875 674 H ALA 37 H ALA 37 -2.026 -4.205 1.408 675 HA ALA 37 HA ALA 37 -2.515 -1.641 0.390 676 1HB ALA 37 1HB ALA 37 -0.325 -2.807 0.975 677 2HB ALA 37 3HB ALA 37 -0.403 -3.579 -0.608 678 3HB ALA 37 2HB ALA 37 -0.273 -1.823 -0.488 679 H GLN 38 H GLN 38 -2.364 -4.733 -1.401 680 HA GLN 38 HA GLN 38 -2.868 -3.594 -4.006 681 1HB GLN 38 1HB GLN 38 -2.978 -6.300 -2.694 682 2HB GLN 38 2HB GLN 38 -3.602 -6.109 -4.334 683 1HG GLN 38 1HG GLN 38 -1.438 -5.153 -5.046 684 2HG GLN 38 2HG GLN 38 -0.813 -5.356 -3.408 685 2HE2 GLN 38 2HE2 GLN 38 0.838 -6.828 -4.478 686 1HE2 GLN 38 1HE2 GLN 38 0.402 -8.436 -4.798 687 H ASN 39 H ASN 39 -4.908 -4.729 -1.362 688 HA ASN 39 HA ASN 39 -7.384 -4.435 -2.960 689 1HB ASN 39 2HB ASN 39 -6.899 -5.112 -0.039 690 2HB ASN 39 1HB ASN 39 -8.412 -5.334 -0.917 691 2HD2 ASN 39 2HD2 ASN 39 -7.404 -7.631 0.188 692 1HD2 ASN 39 1HD2 ASN 39 -6.697 -8.621 -0.997 693 H LEU 40 H LEU 40 -5.418 -2.191 -1.875 694 HA LEU 40 HA LEU 40 -5.661 0.029 -1.173 695 1HB LEU 40 1HB LEU 40 -8.063 -0.818 -2.538 696 2HB LEU 40 2HB LEU 40 -8.470 0.355 -1.284 697 HG LEU 40 HG LEU 40 -6.086 0.953 -2.966 698 1HD1 LEU 40 1HD1 LEU 40 -8.926 0.873 -3.965 699 2HD1 LEU 40 2HD1 LEU 40 -7.801 2.082 -4.585 700 3HD1 LEU 40 3HD1 LEU 40 -7.449 0.365 -4.784 701 1HD2 LEU 40 1HD2 LEU 40 -8.193 2.360 -1.403 702 2HD2 LEU 40 2HD2 LEU 40 -6.470 2.711 -1.537 703 3HD2 LEU 40 3HD2 LEU 40 -7.575 3.207 -2.819 704 H GLU 41 H GLU 41 -5.953 -2.237 0.810 705 HA GLU 41 HA GLU 41 -7.914 -1.327 2.783 706 1HB GLU 41 1HB GLU 41 -6.044 -3.514 2.325 707 2HB GLU 41 2HB GLU 41 -5.983 -2.962 4.000 708 1HG GLU 41 2HG GLU 41 -8.490 -3.753 2.486 709 2HG GLU 41 1HG GLU 41 -7.693 -4.713 3.731 710 H PHE 42 H PHE 42 -4.372 -1.210 2.443 711 HA PHE 42 HA PHE 42 -2.761 0.123 3.531 712 1HB PHE 42 1HB PHE 42 -5.176 1.773 2.930 713 2HB PHE 42 2HB PHE 42 -3.919 2.512 3.922 714 HD1 PHE 42 HD1 PHE 42 -1.430 1.421 2.888 715 HD2 PHE 42 HD2 PHE 42 -4.979 2.628 0.746 716 HE1 PHE 42 HE1 PHE 42 -0.058 1.839 0.851 717 HE2 PHE 42 HE2 PHE 42 -3.606 3.045 -1.292 718 HZ PHE 42 HZ PHE 42 -1.145 2.652 -1.237 719 H GLU 43 H GLU 43 -2.593 1.753 5.504 720 HA GLU 43 HA GLU 43 -2.670 2.101 7.814 721 1HB GLU 43 1HB GLU 43 -5.057 2.494 7.457 722 2HB GLU 43 2HB GLU 43 -5.372 0.763 7.428 723 1HG GLU 43 1HG GLU 43 -4.366 0.663 9.763 724 2HG GLU 43 2HG GLU 43 -4.453 2.425 9.771 725 H GLU 44 H GLU 44 -4.247 -1.004 7.210 726 HA GLU 44 HA GLU 44 -2.676 -2.337 9.302 727 1HB GLU 44 2HB GLU 44 -4.082 -4.251 8.686 728 2HB GLU 44 1HB GLU 44 -5.082 -2.805 8.809 729 1HG GLU 44 1HG GLU 44 -5.091 -2.532 6.398 730 2HG GLU 44 2HG GLU 44 -3.931 -3.846 6.205 731 H ALA 45 H ALA 45 -2.687 -2.053 5.784 732 HA ALA 45 HA ALA 45 -0.771 -4.224 5.359 733 1HB ALA 45 1HB ALA 45 -2.645 -2.940 3.871 734 2HB ALA 45 2HB ALA 45 -1.310 -3.851 3.166 735 3HB ALA 45 3HB ALA 45 -1.192 -2.099 3.332 736 H ALA 46 H ALA 46 -0.619 -0.646 5.157 737 HA ALA 46 HA ALA 46 2.205 -0.569 4.579 738 1HB ALA 46 1HB ALA 46 1.889 1.773 4.736 739 2HB ALA 46 3HB ALA 46 0.586 1.603 5.912 740 3HB ALA 46 2HB ALA 46 0.315 1.162 4.225 741 H GLN 47 H GLN 47 0.410 -0.987 7.525 742 HA GLN 47 HA GLN 47 2.511 -0.032 9.318 743 1HB GLN 47 1HB GLN 47 -0.150 -1.346 9.448 744 2HB GLN 47 2HB GLN 47 0.918 -1.623 10.822 745 1HG GLN 47 1HG GLN 47 1.299 0.951 10.756 746 2HG GLN 47 2HG GLN 47 -0.178 0.985 9.791 747 2HE2 GLN 47 2HE2 GLN 47 -1.928 -0.687 10.916 748 1HE2 GLN 47 1HE2 GLN 47 -2.154 -0.390 12.572 749 H ILE 48 H ILE 48 1.269 -3.272 8.397 750 HA ILE 48 HA ILE 48 3.061 -4.889 9.840 751 HB ILE 48 HB ILE 48 1.897 -5.190 7.049 752 1HG1 ILE 48 1HG1 ILE 48 0.927 -6.460 9.612 753 2HG1 ILE 48 2HG1 ILE 48 0.392 -4.848 9.134 754 1HG2 ILE 48 1HG2 ILE 48 3.125 -7.237 8.922 755 2HG2 ILE 48 2HG2 ILE 48 2.203 -7.641 7.474 756 3HG2 ILE 48 3HG2 ILE 48 3.729 -6.768 7.333 757 1HD1 ILE 48 1HD1 ILE 48 -0.168 -5.940 6.849 758 2HD1 ILE 48 2HD1 ILE 48 -0.056 -7.471 7.718 759 3HD1 ILE 48 3HD1 ILE 48 -1.248 -6.266 8.205 760 H ARG 49 H ARG 49 3.559 -3.071 6.861 761 HA ARG 49 HA ARG 49 5.985 -4.175 5.929 762 1HB ARG 49 1HB ARG 49 4.846 -2.579 4.604 763 2HB ARG 49 2HB ARG 49 4.690 -1.446 5.940 764 1HG ARG 49 1HG ARG 49 7.489 -1.959 5.416 765 2HG ARG 49 2HG ARG 49 6.677 -1.463 3.932 766 1HD ARG 49 1HD ARG 49 7.543 0.485 5.270 767 2HD ARG 49 2HD ARG 49 5.782 0.535 5.052 768 HE ARG 49 HE ARG 49 5.613 -0.522 7.347 769 1HH1 ARG 49 1HH1 ARG 49 8.852 -0.472 6.881 770 2HH1 ARG 49 2HH1 ARG 49 9.253 0.532 8.233 771 1HH2 ARG 49 1HH2 ARG 49 5.968 1.447 8.864 772 2HH2 ARG 49 2HH2 ARG 49 7.619 1.618 9.357 773 H ASP 50 H ASP 50 5.317 -2.212 8.746 774 HA ASP 50 HA ASP 50 8.101 -1.430 9.217 775 1HB ASP 50 1HB ASP 50 5.781 -0.368 9.920 776 2HB ASP 50 2HB ASP 50 5.929 -1.466 11.293 777 H GLN 51 H GLN 51 5.944 -4.047 10.174 778 HA GLN 51 HA GLN 51 7.574 -5.053 12.350 779 1HB GLN 51 2HB GLN 51 5.504 -6.381 10.566 780 2HB GLN 51 1HB GLN 51 6.053 -6.988 12.130 781 1HG GLN 51 1HG GLN 51 5.151 -5.060 13.272 782 2HG GLN 51 2HG GLN 51 4.776 -4.269 11.741 783 2HE2 GLN 51 2HE2 GLN 51 4.246 -7.739 12.309 784 1HE2 GLN 51 1HE2 GLN 51 2.551 -7.664 12.248 785 H LEU 52 H LEU 52 7.288 -5.842 8.883 786 HA LEU 52 HA LEU 52 8.922 -8.128 8.746 787 1HB LEU 52 1HB LEU 52 7.930 -5.996 7.011 788 2HB LEU 52 2HB LEU 52 9.502 -6.597 6.480 789 HG LEU 52 HG LEU 52 7.663 -7.896 5.460 790 1HD1 LEU 52 1HD1 LEU 52 9.749 -9.008 7.202 791 2HD1 LEU 52 2HD1 LEU 52 8.421 -10.131 6.904 792 3HD1 LEU 52 3HD1 LEU 52 9.317 -9.444 5.549 793 1HD2 LEU 52 1HD2 LEU 52 6.152 -7.513 7.514 794 2HD2 LEU 52 2HD2 LEU 52 6.088 -9.108 6.765 795 3HD2 LEU 52 3HD2 LEU 52 7.010 -8.866 8.248 796 H HIS 53 H HIS 53 9.830 -4.738 9.119 797 HA HIS 53 HA HIS 53 12.680 -5.200 8.630 798 1HB HIS 53 1HB HIS 53 10.807 -3.012 9.157 799 2HB HIS 53 2HB HIS 53 12.348 -2.790 9.985 800 HD1 HIS 53 HD1 HIS 53 11.189 -3.826 6.490 801 HD2 HIS 53 HD2 HIS 53 14.233 -1.652 8.330 802 HE1 HIS 53 HE1 HIS 53 12.620 -2.879 4.627 803 H GLN 54 H GLN 54 10.563 -4.844 11.467 804 HA GLN 54 HA GLN 54 12.656 -4.811 13.446 805 1HB GLN 54 1HB GLN 54 10.122 -4.189 13.522 806 2HB GLN 54 2HB GLN 54 9.875 -5.906 13.846 807 1HG GLN 54 1HG GLN 54 11.367 -5.779 15.788 808 2HG GLN 54 2HG GLN 54 11.681 -4.075 15.454 809 2HE2 GLN 54 2HE2 GLN 54 9.530 -6.255 17.048 810 1HE2 GLN 54 1HE2 GLN 54 8.347 -5.116 17.481 811 H LEU 55 H LEU 55 10.729 -7.426 11.983 812 HA LEU 55 HA LEU 55 11.579 -9.573 13.639 813 1HB LEU 55 1HB LEU 55 10.371 -9.125 10.987 814 2HB LEU 55 2HB LEU 55 11.233 -10.656 11.132 815 HG LEU 55 HG LEU 55 9.618 -10.084 13.493 816 1HD1 LEU 55 1HD1 LEU 55 8.452 -9.535 10.894 817 2HD1 LEU 55 2HD1 LEU 55 7.638 -10.895 11.668 818 3HD1 LEU 55 3HD1 LEU 55 7.738 -9.340 12.494 819 1HD2 LEU 55 1HD2 LEU 55 10.250 -12.300 11.623 820 2HD2 LEU 55 2HD2 LEU 55 10.158 -12.307 13.384 821 3HD2 LEU 55 3HD2 LEU 55 8.682 -12.401 12.424 822 H ARG 56 H ARG 56 13.286 -7.787 11.185 823 HA ARG 56 HA ARG 56 15.201 -9.622 10.251 824 1HB ARG 56 1HB ARG 56 14.909 -7.295 9.490 825 2HB ARG 56 2HB ARG 56 15.511 -6.706 11.040 826 1HG ARG 56 1HG ARG 56 17.551 -8.337 10.396 827 2HG ARG 56 2HG ARG 56 17.001 -7.927 8.769 828 1HD ARG 56 1HD ARG 56 17.304 -5.572 9.164 829 2HD ARG 56 2HD ARG 56 17.563 -5.839 10.901 830 HE ARG 56 HE ARG 56 19.718 -6.804 10.401 831 1HH1 ARG 56 1HH1 ARG 56 18.964 -8.166 7.825 832 2HH1 ARG 56 2HH1 ARG 56 19.843 -7.235 6.659 833 1HH2 ARG 56 1HH2 ARG 56 20.411 -4.580 8.817 834 2HH2 ARG 56 2HH2 ARG 56 20.663 -5.205 7.221 835 H GLU 57 H GLU 57 15.463 -7.526 13.154 836 HA GLU 57 HA GLU 57 17.957 -8.467 14.100 837 1HB GLU 57 2HB GLU 57 15.510 -7.628 15.692 838 2HB GLU 57 1HB GLU 57 17.188 -7.533 16.230 839 1HG GLU 57 1HG GLU 57 17.496 -6.106 14.032 840 2HG GLU 57 2HG GLU 57 15.756 -5.862 14.190 841 H LEU 58 H LEU 58 14.669 -9.691 14.776 842 HA LEU 58 HA LEU 58 15.274 -11.698 16.654 843 1HB LEU 58 1HB LEU 58 13.126 -10.850 15.028 844 2HB LEU 58 2HB LEU 58 13.319 -12.572 14.702 845 HG LEU 58 HG LEU 58 13.514 -11.815 17.553 846 1HD1 LEU 58 1HD1 LEU 58 11.680 -10.328 16.567 847 2HD1 LEU 58 2HD1 LEU 58 10.803 -11.816 16.211 848 3HD1 LEU 58 3HD1 LEU 58 11.186 -11.396 17.881 849 1HD2 LEU 58 1HD2 LEU 58 13.388 -14.149 16.314 850 2HD2 LEU 58 2HD2 LEU 58 12.567 -13.923 17.859 851 3HD2 LEU 58 3HD2 LEU 58 11.651 -13.843 16.354 852 H PHE 59 H PHE 59 16.000 -11.579 13.240 853 HA PHE 59 HA PHE 59 16.233 -14.288 12.534 854 1HB PHE 59 1HB PHE 59 16.540 -12.353 11.036 855 2HB PHE 59 2HB PHE 59 18.037 -11.937 11.871 856 HD1 PHE 59 HD1 PHE 59 16.393 -14.374 9.617 857 HD2 PHE 59 HD2 PHE 59 20.078 -13.237 11.560 858 HE1 PHE 59 HE1 PHE 59 17.652 -15.948 8.149 859 HE2 PHE 59 HE2 PHE 59 21.337 -14.811 10.092 860 HZ PHE 59 HZ PHE 59 20.124 -16.166 8.386 861 H ILE 60 H ILE 60 18.521 -12.255 14.358 862 HA ILE 60 HA ILE 60 20.605 -14.262 14.516 863 HB ILE 60 HB ILE 60 19.946 -11.799 16.165 864 1HG1 ILE 60 1HG1 ILE 60 22.139 -11.991 14.127 865 2HG1 ILE 60 2HG1 ILE 60 20.481 -11.765 13.568 866 1HG2 ILE 60 1HG2 ILE 60 21.772 -13.837 16.747 867 2HG2 ILE 60 2HG2 ILE 60 22.747 -12.573 15.998 868 3HG2 ILE 60 3HG2 ILE 60 21.775 -12.208 17.423 869 1HD1 ILE 60 1HD1 ILE 60 20.626 -9.940 15.613 870 2HD1 ILE 60 2HD1 ILE 60 22.265 -9.878 14.962 871 3HD1 ILE 60 3HD1 ILE 60 20.885 -9.556 13.911 872 H ALA 61 H ALA 61 17.868 -13.349 16.589 873 HA ALA 61 HA ALA 61 18.562 -14.914 18.881 874 1HB ALA 61 1HB ALA 61 16.726 -13.082 18.357 875 2HB ALA 61 3HB ALA 61 15.732 -14.487 17.972 876 3HB ALA 61 2HB ALA 61 16.419 -14.309 19.586 877 H ALA 62 H ALA 62 17.293 -15.798 15.757 878 HA ALA 62 HA ALA 62 16.483 -18.495 16.738 879 1HB ALA 62 1HB ALA 62 15.399 -18.644 14.558 880 2HB ALA 62 3HB ALA 62 15.006 -17.083 15.277 881 3HB ALA 62 2HB ALA 62 16.228 -17.188 14.011 882 H SER 63 H SER 63 18.164 -17.303 13.803 883 HA SER 63 HA SER 63 19.700 -19.789 13.592 884 1HB SER 63 1HB SER 63 20.431 -18.805 11.525 885 2HB SER 63 2HB SER 63 18.745 -18.337 11.723 886 HG SER 63 HG SER 63 19.341 -16.322 12.159 No H/Q in entry = 886 Start of MODEL 20 1 H LEU 8 H LEU 8 -18.338 -5.733 -29.581 2 HA LEU 8 HA LEU 8 -16.961 -4.324 -27.645 3 1HB LEU 8 1HB LEU 8 -16.659 -3.127 -30.406 4 2HB LEU 8 2HB LEU 8 -16.456 -2.158 -28.946 5 HG LEU 8 HG LEU 8 -14.998 -4.734 -28.963 6 1HD1 LEU 8 1HD1 LEU 8 -14.908 -3.320 -31.319 7 2HD1 LEU 8 2HD1 LEU 8 -13.557 -2.622 -30.425 8 3HD1 LEU 8 3HD1 LEU 8 -13.613 -4.360 -30.724 9 1HD2 LEU 8 1HD2 LEU 8 -15.000 -2.483 -27.423 10 2HD2 LEU 8 2HD2 LEU 8 -13.635 -3.596 -27.523 11 3HD2 LEU 8 3HD2 LEU 8 -13.653 -2.133 -28.508 12 H GLU 9 H GLU 9 -18.223 -2.553 -26.751 13 HA GLU 9 HA GLU 9 -20.647 -1.653 -28.161 14 1HB GLU 9 1HB GLU 9 -21.276 -3.871 -27.325 15 2HB GLU 9 2HB GLU 9 -20.723 -3.439 -25.707 16 1HG GLU 9 1HG GLU 9 -22.573 -2.174 -25.267 17 2HG GLU 9 2HG GLU 9 -22.685 -1.582 -26.925 18 HA PRO 10 HA PRO 10 -18.879 1.198 -24.954 19 1HB PRO 10 1HB PRO 10 -18.625 3.376 -26.593 20 2HB PRO 10 2HB PRO 10 -17.358 2.147 -26.412 21 1HG PRO 10 2HG PRO 10 -19.327 2.523 -28.602 22 2HG PRO 10 1HG PRO 10 -17.647 1.976 -28.672 23 1HD PRO 10 1HD PRO 10 -19.824 0.308 -28.830 24 2HD PRO 10 2HD PRO 10 -18.205 -0.199 -28.301 25 H ASP 11 H ASP 11 -20.975 2.410 -27.607 26 HA ASP 11 HA ASP 11 -23.042 3.536 -27.542 27 1HB ASP 11 1HB ASP 11 -22.983 1.597 -25.291 28 2HB ASP 11 2HB ASP 11 -24.233 2.837 -25.200 29 H ASN 12 H ASN 12 -22.598 3.559 -24.031 30 HA ASN 12 HA ASN 12 -21.759 6.408 -24.085 31 1HB ASN 12 1HB ASN 12 -23.708 7.005 -22.658 32 2HB ASN 12 2HB ASN 12 -24.218 6.396 -24.234 33 2HD2 ASN 12 2HD2 ASN 12 -24.050 5.607 -20.781 34 1HD2 ASN 12 1HD2 ASN 12 -25.063 4.248 -20.864 35 H VAL 13 H VAL 13 -20.510 3.890 -23.169 36 HA VAL 13 HA VAL 13 -20.714 3.865 -20.255 37 HB VAL 13 HB VAL 13 -20.330 1.876 -21.727 38 1HG1 VAL 13 1HG1 VAL 13 -17.681 3.275 -22.143 39 2HG1 VAL 13 2HG1 VAL 13 -17.885 1.543 -22.397 40 3HG1 VAL 13 3HG1 VAL 13 -18.806 2.690 -23.369 41 1HG2 VAL 13 1HG2 VAL 13 -19.302 2.463 -19.216 42 2HG2 VAL 13 2HG2 VAL 13 -19.376 0.859 -19.947 43 3HG2 VAL 13 3HG2 VAL 13 -17.907 1.824 -20.084 44 HA PRO 14 HA PRO 14 -16.451 5.961 -20.635 45 1HB PRO 14 1HB PRO 14 -16.074 7.708 -22.699 46 2HB PRO 14 2HB PRO 14 -15.637 5.992 -22.799 47 1HG PRO 14 2HG PRO 14 -17.931 7.426 -23.979 48 2HG PRO 14 1HG PRO 14 -17.067 5.997 -24.559 49 1HD PRO 14 1HD PRO 14 -19.541 6.013 -23.268 50 2HD PRO 14 2HD PRO 14 -18.504 4.600 -23.524 51 H MET 15 H MET 15 -18.718 8.147 -22.359 52 HA MET 15 HA MET 15 -19.577 10.254 -21.721 53 1HB MET 15 1HB MET 15 -19.918 8.269 -19.663 54 2HB MET 15 2HB MET 15 -19.706 9.851 -18.911 55 1HG MET 15 1HG MET 15 -21.488 10.785 -20.308 56 2HG MET 15 2HG MET 15 -21.675 9.238 -21.136 57 1HE MET 15 1HE MET 15 -23.738 8.789 -20.954 58 2HE MET 15 2HE MET 15 -24.673 8.252 -19.551 59 3HE MET 15 3HE MET 15 -24.557 9.968 -19.933 60 H ASP 16 H ASP 16 -19.206 11.903 -19.598 61 HA ASP 16 HA ASP 16 -16.360 12.043 -18.843 62 1HB ASP 16 1HB ASP 16 -16.088 14.239 -20.010 63 2HB ASP 16 2HB ASP 16 -16.377 12.911 -21.135 64 H MET 17 H MET 17 -18.727 11.867 -17.266 65 HA MET 17 HA MET 17 -19.899 14.267 -16.385 66 1HB MET 17 1HB MET 17 -20.253 12.987 -14.288 67 2HB MET 17 2HB MET 17 -20.545 11.983 -15.708 68 1HG MET 17 1HG MET 17 -18.144 11.192 -15.515 69 2HG MET 17 2HG MET 17 -18.075 12.016 -13.958 70 1HE MET 17 1HE MET 17 -19.752 11.985 -12.411 71 2HE MET 17 2HE MET 17 -21.100 10.863 -12.245 72 3HE MET 17 3HE MET 17 -19.533 10.484 -11.515 73 H SER 18 H SER 18 -16.677 12.989 -15.745 74 HA SER 18 HA SER 18 -16.019 14.641 -13.490 75 1HB SER 18 1HB SER 18 -14.054 13.750 -15.588 76 2HB SER 18 2HB SER 18 -13.863 13.776 -13.837 77 HG SER 18 HG SER 18 -15.383 12.079 -13.728 78 HA PRO 19 HA PRO 19 -15.397 18.451 -15.650 79 1HB PRO 19 1HB PRO 19 -14.168 19.843 -13.649 80 2HB PRO 19 2HB PRO 19 -15.898 19.456 -13.639 81 1HG PRO 19 1HG PRO 19 -13.720 18.317 -12.044 82 2HG PRO 19 2HG PRO 19 -15.455 18.359 -11.719 83 1HD PRO 19 1HD PRO 19 -13.919 16.170 -12.699 84 2HD PRO 19 2HD PRO 19 -15.676 16.244 -12.455 85 H LYS 20 H LYS 20 -13.240 16.335 -15.927 86 HA LYS 20 HA LYS 20 -11.089 16.217 -16.873 87 1HB LYS 20 1HB LYS 20 -12.161 18.192 -18.104 88 2HB LYS 20 2HB LYS 20 -11.254 19.235 -17.009 89 1HG LYS 20 1HG LYS 20 -9.761 17.050 -18.392 90 2HG LYS 20 2HG LYS 20 -10.232 18.456 -19.349 91 1HD LYS 20 1HD LYS 20 -9.255 19.828 -17.347 92 2HD LYS 20 2HD LYS 20 -8.417 18.327 -16.953 93 1HE LYS 20 1HE LYS 20 -7.325 18.283 -19.115 94 2HE LYS 20 2HE LYS 20 -8.302 19.651 -19.686 95 1HZ LYS 20 1HZ LYS 20 -6.675 19.837 -17.225 96 2HZ LYS 20 2HZ LYS 20 -6.001 20.175 -18.748 97 3HZ LYS 20 3HZ LYS 20 -7.307 21.096 -18.170 98 H ALA 21 H ALA 21 -10.911 19.341 -15.110 99 HA ALA 21 HA ALA 21 -8.320 19.154 -14.130 100 1HB ALA 21 1HB ALA 21 -10.086 20.998 -13.936 101 2HB ALA 21 3HB ALA 21 -10.674 20.143 -12.509 102 3HB ALA 21 2HB ALA 21 -9.033 20.789 -12.536 103 H LEU 22 H LEU 22 -11.246 17.896 -12.495 104 HA LEU 22 HA LEU 22 -9.675 16.628 -10.365 105 1HB LEU 22 1HB LEU 22 -12.568 16.749 -11.223 106 2HB LEU 22 2HB LEU 22 -12.058 15.665 -9.929 107 HG LEU 22 HG LEU 22 -11.025 17.631 -8.766 108 1HD1 LEU 22 1HD1 LEU 22 -12.122 18.960 -11.211 109 2HD1 LEU 22 2HD1 LEU 22 -12.135 19.859 -9.693 110 3HD1 LEU 22 3HD1 LEU 22 -10.612 19.266 -10.357 111 1HD2 LEU 22 1HD2 LEU 22 -13.963 17.465 -9.388 112 2HD2 LEU 22 2HD2 LEU 22 -13.124 17.085 -7.884 113 3HD2 LEU 22 3HD2 LEU 22 -13.364 18.766 -8.358 114 H GLN 23 H GLN 23 -11.387 15.667 -13.293 115 HA GLN 23 HA GLN 23 -11.364 12.869 -13.113 116 1HB GLN 23 1HB GLN 23 -12.270 14.436 -14.918 117 2HB GLN 23 2HB GLN 23 -10.637 14.461 -15.584 118 1HG GLN 23 1HG GLN 23 -11.156 11.751 -15.149 119 2HG GLN 23 2HG GLN 23 -12.674 12.387 -15.782 120 2HE2 GLN 23 2HE2 GLN 23 -10.591 10.651 -17.147 121 1HE2 GLN 23 1HE2 GLN 23 -10.165 11.504 -18.551 122 H GLN 24 H GLN 24 -8.754 14.895 -14.522 123 HA GLN 24 HA GLN 24 -6.916 12.717 -14.909 124 1HB GLN 24 1HB GLN 24 -6.868 14.922 -16.053 125 2HB GLN 24 2HB GLN 24 -6.442 15.691 -14.523 126 1HG GLN 24 1HG GLN 24 -4.766 13.399 -15.469 127 2HG GLN 24 2HG GLN 24 -4.557 14.966 -16.251 128 2HE2 GLN 24 2HE2 GLN 24 -2.578 13.664 -14.496 129 1HE2 GLN 24 1HE2 GLN 24 -2.361 14.692 -13.163 130 H LYS 25 H LYS 25 -7.309 15.093 -12.272 131 HA LYS 25 HA LYS 25 -5.028 14.331 -10.732 132 1HB LYS 25 1HB LYS 25 -7.546 15.838 -10.439 133 2HB LYS 25 2HB LYS 25 -6.925 15.179 -8.925 134 1HG LYS 25 1HG LYS 25 -5.278 16.712 -8.858 135 2HG LYS 25 2HG LYS 25 -4.769 16.306 -10.499 136 1HD LYS 25 1HD LYS 25 -6.199 17.890 -11.473 137 2HD LYS 25 2HD LYS 25 -7.234 17.973 -10.048 138 1HE LYS 25 1HE LYS 25 -5.261 18.984 -8.797 139 2HE LYS 25 2HE LYS 25 -4.446 19.124 -10.367 140 1HZ LYS 25 1HZ LYS 25 -6.614 20.175 -11.146 141 2HZ LYS 25 2HZ LYS 25 -6.987 20.366 -9.499 142 3HZ LYS 25 3HZ LYS 25 -5.613 21.120 -10.155 143 H ILE 26 H ILE 26 -8.362 13.077 -10.777 144 HA ILE 26 HA ILE 26 -7.897 11.234 -8.553 145 HB ILE 26 HB ILE 26 -10.090 11.524 -10.631 146 1HG1 ILE 26 1HG1 ILE 26 -10.076 12.347 -7.715 147 2HG1 ILE 26 2HG1 ILE 26 -9.637 13.449 -9.022 148 1HG2 ILE 26 1HG2 ILE 26 -9.579 9.466 -8.671 149 2HG2 ILE 26 2HG2 ILE 26 -11.051 10.343 -8.249 150 3HG2 ILE 26 3HG2 ILE 26 -10.901 9.582 -9.833 151 1HD1 ILE 26 1HD1 ILE 26 -12.267 11.951 -8.878 152 2HD1 ILE 26 2HD1 ILE 26 -12.049 13.618 -8.347 153 3HD1 ILE 26 3HD1 ILE 26 -11.824 13.196 -10.044 154 H HIS 27 H HIS 27 -8.212 10.930 -12.102 155 HA HIS 27 HA HIS 27 -7.924 8.077 -12.209 156 1HB HIS 27 1HB HIS 27 -8.840 9.469 -14.011 157 2HB HIS 27 2HB HIS 27 -7.283 10.279 -14.199 158 HD1 HIS 27 HD1 HIS 27 -8.896 6.874 -14.631 159 HD2 HIS 27 HD2 HIS 27 -5.428 8.888 -15.767 160 HE1 HIS 27 HE1 HIS 27 -7.712 5.378 -16.297 161 H GLU 28 H GLU 28 -5.572 10.717 -12.110 162 HA GLU 28 HA GLU 28 -3.291 9.011 -12.775 163 1HB GLU 28 1HB GLU 28 -3.655 11.543 -13.143 164 2HB GLU 28 2HB GLU 28 -3.257 11.717 -11.432 165 1HG GLU 28 1HG GLU 28 -1.231 12.009 -12.758 166 2HG GLU 28 2HG GLU 28 -1.116 10.502 -11.848 167 H LEU 29 H LEU 29 -4.718 10.353 -9.802 168 HA LEU 29 HA LEU 29 -2.608 9.413 -8.047 169 1HB LEU 29 1HB LEU 29 -5.426 10.449 -7.768 170 2HB LEU 29 2HB LEU 29 -4.539 9.874 -6.356 171 HG LEU 29 HG LEU 29 -3.482 11.970 -8.273 172 1HD1 LEU 29 1HD1 LEU 29 -5.171 12.154 -5.809 173 2HD1 LEU 29 2HD1 LEU 29 -3.923 13.374 -6.057 174 3HD1 LEU 29 3HD1 LEU 29 -5.195 13.156 -7.260 175 1HD2 LEU 29 1HD2 LEU 29 -2.394 10.462 -6.019 176 2HD2 LEU 29 2HD2 LEU 29 -1.554 11.470 -7.198 177 3HD2 LEU 29 3HD2 LEU 29 -2.281 12.204 -5.768 178 H GLU 30 H GLU 30 -5.697 8.079 -9.167 179 HA GLU 30 HA GLU 30 -5.941 5.919 -7.325 180 1HB GLU 30 1HB GLU 30 -7.692 6.702 -8.868 181 2HB GLU 30 2HB GLU 30 -6.728 6.171 -10.246 182 1HG GLU 30 1HG GLU 30 -7.337 4.175 -8.102 183 2HG GLU 30 2HG GLU 30 -8.627 4.611 -9.224 184 H GLY 31 H GLY 31 -4.455 5.964 -10.591 185 1HA GLY 31 2HA GLY 31 -2.958 4.452 -11.590 186 2HA GLY 31 1HA GLY 31 -3.515 3.245 -10.431 187 H LEU 32 H LEU 32 -2.191 6.330 -9.401 188 HA LEU 32 HA LEU 32 0.551 5.565 -9.107 189 1HB LEU 32 1HB LEU 32 -0.843 7.837 -8.900 190 2HB LEU 32 2HB LEU 32 -0.785 7.427 -7.184 191 HG LEU 32 HG LEU 32 1.710 7.144 -7.420 192 1HD1 LEU 32 1HD1 LEU 32 1.029 8.162 -10.179 193 2HD1 LEU 32 2HD1 LEU 32 2.626 8.420 -9.478 194 3HD1 LEU 32 3HD1 LEU 32 2.031 6.780 -9.736 195 1HD2 LEU 32 1HD2 LEU 32 0.198 9.423 -7.036 196 2HD2 LEU 32 2HD2 LEU 32 1.939 9.312 -6.784 197 3HD2 LEU 32 3HD2 LEU 32 1.307 9.917 -8.315 198 H MET 33 H MET 33 -2.286 5.034 -7.073 199 HA MET 33 HA MET 33 -0.968 4.328 -4.638 200 1HB MET 33 1HB MET 33 -3.603 3.856 -5.972 201 2HB MET 33 2HB MET 33 -3.222 2.889 -4.547 202 1HG MET 33 1HG MET 33 -3.390 4.667 -3.138 203 2HG MET 33 2HG MET 33 -2.605 5.763 -4.276 204 1HE MET 33 1HE MET 33 -5.590 3.383 -4.223 205 2HE MET 33 2HE MET 33 -5.957 4.422 -2.840 206 3HE MET 33 3HE MET 33 -7.000 4.439 -4.260 207 H MET 34 H MET 34 -2.338 2.131 -7.128 208 HA MET 34 HA MET 34 -1.274 -0.282 -6.087 209 1HB MET 34 1HB MET 34 -2.988 0.279 -7.982 210 2HB MET 34 2HB MET 34 -1.571 0.284 -9.032 211 1HG MET 34 1HG MET 34 -1.259 -1.976 -8.849 212 2HG MET 34 2HG MET 34 -1.803 -2.019 -7.172 213 1HE MET 34 1HE MET 34 -3.813 -1.608 -6.381 214 2HE MET 34 2HE MET 34 -5.177 -0.984 -7.306 215 3HE MET 34 3HE MET 34 -5.117 -2.694 -6.883 216 H GLN 35 H GLN 35 0.126 1.976 -8.480 217 HA GLN 35 HA GLN 35 2.417 0.559 -9.250 218 1HB GLN 35 1HB GLN 35 1.715 2.693 -10.197 219 2HB GLN 35 2HB GLN 35 2.001 3.507 -8.660 220 1HG GLN 35 2HG GLN 35 4.089 3.932 -9.403 221 2HG GLN 35 1HG GLN 35 4.415 2.211 -9.205 222 2HE2 GLN 35 2HE2 GLN 35 3.865 4.744 -11.556 223 1HE2 GLN 35 1HE2 GLN 35 4.050 3.773 -12.936 224 H HIS 36 H HIS 36 2.736 3.213 -6.891 225 HA HIS 36 HA HIS 36 5.164 2.417 -5.751 226 1HB HIS 36 1HB HIS 36 2.741 3.847 -4.641 227 2HB HIS 36 2HB HIS 36 4.271 3.758 -3.768 228 HD1 HIS 36 HD1 HIS 36 6.078 4.004 -6.387 229 HD2 HIS 36 HD2 HIS 36 2.984 6.583 -5.314 230 HE1 HIS 36 HE1 HIS 36 6.529 6.195 -7.573 231 H ALA 37 H ALA 37 1.908 1.704 -4.398 232 HA ALA 37 HA ALA 37 2.595 0.102 -2.220 233 1HB ALA 37 1HB ALA 37 0.361 -0.014 -4.256 234 2HB ALA 37 2HB ALA 37 0.380 -1.067 -2.842 235 3HB ALA 37 3HB ALA 37 0.323 0.683 -2.637 236 H GLN 38 H GLN 38 2.351 -0.884 -5.651 237 HA GLN 38 HA GLN 38 2.826 -3.680 -5.277 238 1HB GLN 38 1HB GLN 38 2.886 -1.657 -7.437 239 2HB GLN 38 2HB GLN 38 3.887 -3.078 -7.732 240 1HG GLN 38 1HG GLN 38 1.895 -4.508 -7.146 241 2HG GLN 38 2HG GLN 38 0.926 -3.035 -7.096 242 2HE2 GLN 38 2HE2 GLN 38 1.633 -5.539 -9.128 243 1HE2 GLN 38 1HE2 GLN 38 1.469 -4.756 -10.625 244 H ASN 39 H ASN 39 4.984 -0.894 -5.518 245 HA ASN 39 HA ASN 39 7.397 -2.616 -5.450 246 1HB ASN 39 1HB ASN 39 6.758 0.312 -5.782 247 2HB ASN 39 2HB ASN 39 8.410 -0.197 -5.431 248 2HD2 ASN 39 2HD2 ASN 39 5.721 -0.971 -7.714 249 1HD2 ASN 39 1HD2 ASN 39 6.741 -1.304 -9.029 250 H LEU 40 H LEU 40 5.305 -2.121 -3.168 251 HA LEU 40 HA LEU 40 5.356 -1.918 -0.837 252 1HB LEU 40 1HB LEU 40 8.138 -2.740 -1.648 253 2HB LEU 40 2HB LEU 40 7.762 -2.458 0.052 254 HG LEU 40 HG LEU 40 5.699 -4.006 -0.430 255 1HD1 LEU 40 1HD1 LEU 40 7.546 -4.491 -2.757 256 2HD1 LEU 40 2HD1 LEU 40 6.552 -5.804 -2.124 257 3HD1 LEU 40 3HD1 LEU 40 5.788 -4.342 -2.750 258 1HD2 LEU 40 1HD2 LEU 40 7.736 -4.470 1.023 259 2HD2 LEU 40 2HD2 LEU 40 6.979 -5.899 0.322 260 3HD2 LEU 40 3HD2 LEU 40 8.461 -5.252 -0.380 261 H GLU 41 H GLU 41 6.029 0.487 -2.621 262 HA GLU 41 HA GLU 41 7.932 2.136 -1.206 263 1HB GLU 41 1HB GLU 41 5.655 2.546 -3.141 264 2HB GLU 41 2HB GLU 41 6.490 3.937 -2.448 265 1HG GLU 41 1HG GLU 41 8.266 1.812 -3.479 266 2HG GLU 41 2HG GLU 41 7.310 2.640 -4.709 267 H PHE 42 H PHE 42 4.379 1.902 -1.135 268 HA PHE 42 HA PHE 42 2.812 2.674 0.448 269 1HB PHE 42 1HB PHE 42 5.178 1.531 1.877 270 2HB PHE 42 2HB PHE 42 3.921 2.299 2.846 271 HD1 PHE 42 HD1 PHE 42 1.450 1.674 1.387 272 HD2 PHE 42 HD2 PHE 42 4.913 -0.797 2.132 273 HE1 PHE 42 HE1 PHE 42 0.038 -0.369 1.180 274 HE2 PHE 42 HE2 PHE 42 3.499 -2.839 1.923 275 HZ PHE 42 HZ PHE 42 1.062 -2.623 1.450 276 H GLU 43 H GLU 43 2.778 4.078 2.617 277 HA GLU 43 HA GLU 43 2.979 6.179 3.620 278 1HB GLU 43 1HB GLU 43 5.351 5.602 3.811 279 2HB GLU 43 2HB GLU 43 5.635 6.084 2.141 280 1HG GLU 43 1HG GLU 43 4.741 8.382 2.792 281 2HG GLU 43 2HG GLU 43 4.879 7.848 4.469 282 H GLU 44 H GLU 44 4.496 6.462 0.442 283 HA GLU 44 HA GLU 44 2.992 8.912 -0.171 284 1HB GLU 44 1HB GLU 44 4.370 8.865 -2.200 285 2HB GLU 44 2HB GLU 44 5.379 8.518 -0.796 286 1HG GLU 44 1HG GLU 44 5.340 6.148 -1.268 287 2HG GLU 44 2HG GLU 44 4.142 6.373 -2.543 288 H ALA 45 H ALA 45 2.878 5.476 -0.956 289 HA ALA 45 HA ALA 45 0.965 5.785 -3.149 290 1HB ALA 45 1HB ALA 45 1.440 3.241 -1.639 291 2HB ALA 45 3HB ALA 45 2.781 3.953 -2.535 292 3HB ALA 45 2HB ALA 45 1.302 3.496 -3.379 293 H ALA 46 H ALA 46 0.769 4.565 0.216 294 HA ALA 46 HA ALA 46 -2.086 4.087 0.069 295 1HB ALA 46 1HB ALA 46 -0.270 3.055 1.575 296 2HB ALA 46 3HB ALA 46 -0.426 4.514 2.556 297 3HB ALA 46 2HB ALA 46 -1.811 3.444 2.338 298 H GLN 47 H GLN 47 -0.095 6.787 1.292 299 HA GLN 47 HA GLN 47 -2.061 8.286 2.640 300 1HB GLN 47 1HB GLN 47 0.413 8.868 1.057 301 2HB GLN 47 2HB GLN 47 -0.593 10.228 1.554 302 1HG GLN 47 1HG GLN 47 0.295 8.094 3.502 303 2HG GLN 47 2HG GLN 47 1.260 9.536 3.185 304 2HE2 GLN 47 2HE2 GLN 47 0.900 10.463 5.310 305 1HE2 GLN 47 1HE2 GLN 47 -0.622 11.045 5.788 306 H ILE 48 H ILE 48 -1.717 7.665 -0.782 307 HA ILE 48 HA ILE 48 -3.201 9.888 -1.818 308 HB ILE 48 HB ILE 48 -2.821 7.034 -2.780 309 1HG1 ILE 48 1HG1 ILE 48 -1.383 9.552 -3.650 310 2HG1 ILE 48 2HG1 ILE 48 -0.779 8.519 -2.354 311 1HG2 ILE 48 1HG2 ILE 48 -4.730 8.197 -3.882 312 2HG2 ILE 48 2HG2 ILE 48 -3.640 9.508 -4.332 313 3HG2 ILE 48 3HG2 ILE 48 -3.397 7.893 -4.998 314 1HD1 ILE 48 1HD1 ILE 48 -1.399 7.548 -5.158 315 2HD1 ILE 48 2HD1 ILE 48 0.215 7.972 -4.588 316 3HD1 ILE 48 3HD1 ILE 48 -0.648 6.616 -3.862 317 H ARG 49 H ARG 49 -4.209 6.862 -0.315 318 HA ARG 49 HA ARG 49 -6.872 6.651 -1.224 319 1HB ARG 49 2HB ARG 49 -7.211 5.421 0.873 320 2HB ARG 49 1HB ARG 49 -5.614 5.050 0.225 321 1HG ARG 49 2HG ARG 49 -4.948 5.544 2.357 322 2HG ARG 49 1HG ARG 49 -5.000 7.200 1.753 323 1HD ARG 49 1HD ARG 49 -7.510 7.142 2.483 324 2HD ARG 49 2HD ARG 49 -7.007 5.766 3.484 325 HE ARG 49 HE ARG 49 -5.431 8.293 3.610 326 1HH1 ARG 49 1HH1 ARG 49 -4.346 6.989 5.650 327 2HH1 ARG 49 2HH1 ARG 49 -5.432 7.038 6.999 328 1HH2 ARG 49 1HH2 ARG 49 -8.193 7.895 5.083 329 2HH2 ARG 49 2HH2 ARG 49 -7.610 7.551 6.678 330 H ASP 50 H ASP 50 -5.427 8.963 0.973 331 HA ASP 50 HA ASP 50 -7.963 9.915 2.080 332 1HB ASP 50 1HB ASP 50 -5.099 10.268 2.418 333 2HB ASP 50 2HB ASP 50 -5.925 11.827 2.421 334 H GLN 51 H GLN 51 -5.686 10.968 -0.450 335 HA GLN 51 HA GLN 51 -7.133 13.425 -1.050 336 1HB GLN 51 2HB GLN 51 -5.080 11.807 -2.596 337 2HB GLN 51 1HB GLN 51 -5.537 13.474 -2.946 338 1HG GLN 51 1HG GLN 51 -4.698 14.223 -0.805 339 2HG GLN 51 2HG GLN 51 -4.411 12.562 -0.285 340 2HE2 GLN 51 2HE2 GLN 51 -3.698 13.718 -3.572 341 1HE2 GLN 51 1HE2 GLN 51 -2.012 13.573 -3.440 342 H LEU 52 H LEU 52 -6.873 10.219 -2.625 343 HA LEU 52 HA LEU 52 -8.565 10.727 -4.847 344 1HB LEU 52 1HB LEU 52 -7.105 8.636 -3.775 345 2HB LEU 52 2HB LEU 52 -8.765 8.055 -3.635 346 HG LEU 52 HG LEU 52 -7.785 7.419 -5.812 347 1HD1 LEU 52 1HD1 LEU 52 -10.261 8.286 -5.410 348 2HD1 LEU 52 2HD1 LEU 52 -9.738 9.594 -6.471 349 3HD1 LEU 52 3HD1 LEU 52 -9.689 7.925 -7.039 350 1HD2 LEU 52 1HD2 LEU 52 -6.610 9.944 -5.671 351 2HD2 LEU 52 2HD2 LEU 52 -6.577 8.864 -7.065 352 3HD2 LEU 52 3HD2 LEU 52 -7.817 10.113 -6.946 353 H HIS 53 H HIS 53 -9.345 9.754 -1.516 354 HA HIS 53 HA HIS 53 -12.165 9.299 -2.000 355 1HB HIS 53 1HB HIS 53 -10.444 8.667 -0.054 356 2HB HIS 53 2HB HIS 53 -11.080 10.151 0.656 357 HD1 HIS 53 HD1 HIS 53 -14.008 10.012 -0.169 358 HD2 HIS 53 HD2 HIS 53 -11.907 6.703 1.249 359 HE1 HIS 53 HE1 HIS 53 -15.740 8.388 0.712 360 H GLN 54 H GLN 54 -10.255 12.089 -0.874 361 HA GLN 54 HA GLN 54 -12.538 13.781 -0.316 362 1HB GLN 54 1HB GLN 54 -9.570 14.089 -0.690 363 2HB GLN 54 2HB GLN 54 -10.582 15.528 -0.565 364 1HG GLN 54 1HG GLN 54 -11.316 13.600 1.466 365 2HG GLN 54 2HG GLN 54 -9.594 13.968 1.561 366 2HE2 GLN 54 2HE2 GLN 54 -12.774 15.207 2.199 367 1HE2 GLN 54 1HE2 GLN 54 -12.297 16.755 2.706 368 H LEU 55 H LEU 55 -10.412 13.323 -3.134 369 HA LEU 55 HA LEU 55 -11.350 15.482 -4.735 370 1HB LEU 55 1HB LEU 55 -10.216 12.734 -5.292 371 2HB LEU 55 2HB LEU 55 -10.564 13.875 -6.592 372 HG LEU 55 HG LEU 55 -8.886 14.664 -4.209 373 1HD1 LEU 55 1HD1 LEU 55 -7.850 12.684 -5.281 374 2HD1 LEU 55 2HD1 LEU 55 -7.921 13.502 -6.842 375 3HD1 LEU 55 3HD1 LEU 55 -6.896 14.142 -5.557 376 1HD2 LEU 55 1HD2 LEU 55 -10.003 16.155 -6.195 377 2HD2 LEU 55 2HD2 LEU 55 -8.495 16.586 -5.387 378 3HD2 LEU 55 3HD2 LEU 55 -8.456 15.746 -6.937 379 H ARG 56 H ARG 56 -12.742 12.335 -4.020 380 HA ARG 56 HA ARG 56 -14.617 12.149 -6.169 381 1HB ARG 56 1HB ARG 56 -14.199 10.231 -4.841 382 2HB ARG 56 2HB ARG 56 -14.405 11.120 -3.336 383 1HG ARG 56 1HG ARG 56 -16.318 9.560 -3.929 384 2HG ARG 56 2HG ARG 56 -16.791 11.231 -3.634 385 1HD ARG 56 1HD ARG 56 -17.449 11.552 -5.797 386 2HD ARG 56 2HD ARG 56 -16.091 10.614 -6.449 387 HE ARG 56 HE ARG 56 -17.468 8.608 -5.368 388 1HH1 ARG 56 1HH1 ARG 56 -20.011 9.360 -4.842 389 2HH1 ARG 56 2HH1 ARG 56 -20.852 9.495 -6.350 390 1HH2 ARG 56 1HH2 ARG 56 -17.959 9.665 -8.253 391 2HH2 ARG 56 2HH2 ARG 56 -19.690 9.668 -8.281 392 H GLU 57 H GLU 57 -15.465 12.925 -2.792 393 HA GLU 57 HA GLU 57 -17.973 14.096 -3.256 394 1HB GLU 57 2HB GLU 57 -15.882 14.924 -1.215 395 2HB GLU 57 1HB GLU 57 -17.626 15.121 -1.058 396 1HG GLU 57 1HG GLU 57 -17.688 12.529 -1.441 397 2HG GLU 57 2HG GLU 57 -15.994 12.602 -0.952 398 H LEU 58 H LEU 58 -14.758 15.603 -3.393 399 HA LEU 58 HA LEU 58 -15.486 18.319 -3.658 400 1HB LEU 58 1HB LEU 58 -13.239 16.532 -4.407 401 2HB LEU 58 2HB LEU 58 -13.311 18.063 -5.280 402 HG LEU 58 HG LEU 58 -13.529 17.906 -2.268 403 1HD1 LEU 58 1HD1 LEU 58 -11.222 17.425 -3.918 404 2HD1 LEU 58 2HD1 LEU 58 -11.011 18.954 -3.063 405 3HD1 LEU 58 3HD1 LEU 58 -11.324 17.473 -2.157 406 1HD2 LEU 58 1HD2 LEU 58 -14.059 19.945 -4.046 407 2HD2 LEU 58 2HD2 LEU 58 -13.617 20.177 -2.354 408 3HD2 LEU 58 3HD2 LEU 58 -12.381 20.264 -3.608 409 H PHE 59 H PHE 59 -15.900 15.676 -5.890 410 HA PHE 59 HA PHE 59 -15.940 16.884 -8.411 411 1HB PHE 59 1HB PHE 59 -16.284 14.508 -8.021 412 2HB PHE 59 2HB PHE 59 -17.779 14.829 -7.144 413 HD1 PHE 59 HD1 PHE 59 -16.288 15.889 -10.446 414 HD2 PHE 59 HD2 PHE 59 -19.715 14.317 -8.339 415 HE1 PHE 59 HE1 PHE 59 -17.567 15.804 -12.585 416 HE2 PHE 59 HE2 PHE 59 -20.992 14.234 -10.478 417 HZ PHE 59 HZ PHE 59 -19.918 14.977 -12.601 418 H ILE 60 H ILE 60 -18.571 16.846 -5.985 419 HA ILE 60 HA ILE 60 -20.458 18.333 -7.571 420 HB ILE 60 HB ILE 60 -20.142 18.078 -4.560 421 1HG1 ILE 60 2HG1 ILE 60 -22.138 16.348 -5.615 422 2HG1 ILE 60 1HG1 ILE 60 -20.690 16.119 -6.595 423 1HG2 ILE 60 1HG2 ILE 60 -21.821 19.757 -5.788 424 2HG2 ILE 60 2HG2 ILE 60 -22.774 18.283 -5.957 425 3HG2 ILE 60 3HG2 ILE 60 -22.307 18.852 -4.354 426 1HD1 ILE 60 1HD1 ILE 60 -20.497 16.204 -3.591 427 2HD1 ILE 60 2HD1 ILE 60 -20.944 14.711 -4.417 428 3HD1 ILE 60 3HD1 ILE 60 -19.388 15.470 -4.750 429 H ALA 61 H ALA 61 -17.978 19.293 -5.204 430 HA ALA 61 HA ALA 61 -18.673 22.056 -4.993 431 1HB ALA 61 1HB ALA 61 -16.466 22.245 -4.034 432 2HB ALA 61 2HB ALA 61 -17.084 20.654 -3.589 433 3HB ALA 61 3HB ALA 61 -15.911 20.810 -4.896 434 H ALA 62 H ALA 62 -17.111 20.244 -7.529 435 HA ALA 62 HA ALA 62 -16.163 22.745 -8.854 436 1HB ALA 62 1HB ALA 62 -15.289 20.016 -8.614 437 2HB ALA 62 3HB ALA 62 -14.445 21.372 -9.362 438 3HB ALA 62 2HB ALA 62 -15.547 20.382 -10.319 439 H SER 63 H SER 63 -17.601 19.689 -10.055 440 HA SER 63 HA SER 63 -19.367 21.349 -11.829 441 1HB SER 63 1HB SER 63 -17.639 20.117 -13.032 442 2HB SER 63 2HB SER 63 -18.072 18.628 -12.196 443 HG SER 63 HG SER 63 -19.504 20.082 -14.145 444 H LEU 8 H LEU 8 17.516 -27.018 -14.348 445 HA LEU 8 HA LEU 8 16.206 -25.547 -12.410 446 1HB LEU 8 1HB LEU 8 15.869 -28.531 -12.047 447 2HB LEU 8 2HB LEU 8 15.714 -27.407 -10.696 448 HG LEU 8 HG LEU 8 14.208 -26.664 -13.134 449 1HD1 LEU 8 1HD1 LEU 8 14.095 -29.325 -12.451 450 2HD1 LEU 8 2HD1 LEU 8 12.776 -28.650 -11.495 451 3HD1 LEU 8 3HD1 LEU 8 12.794 -28.439 -13.245 452 1HD2 LEU 8 1HD2 LEU 8 14.283 -25.834 -10.537 453 2HD2 LEU 8 2HD2 LEU 8 12.896 -25.592 -11.600 454 3HD2 LEU 8 3HD2 LEU 8 12.922 -26.954 -10.481 455 H GLU 9 H GLU 9 17.517 -25.215 -10.489 456 HA GLU 9 HA GLU 9 19.928 -26.859 -10.088 457 1HB GLU 9 1HB GLU 9 20.533 -25.432 -11.989 458 2HB GLU 9 2HB GLU 9 20.021 -23.998 -11.100 459 1HG GLU 9 1HG GLU 9 21.903 -23.964 -9.805 460 2HG GLU 9 2HG GLU 9 21.992 -25.724 -9.714 461 HA PRO 10 HA PRO 10 18.280 -24.577 -6.398 462 1HB PRO 10 1HB PRO 10 18.034 -26.766 -4.774 463 2HB PRO 10 2HB PRO 10 16.748 -26.223 -5.869 464 1HG PRO 10 2HG PRO 10 18.679 -28.457 -6.182 465 2HG PRO 10 1HG PRO 10 16.987 -28.345 -6.685 466 1HD PRO 10 1HD PRO 10 19.129 -28.049 -8.380 467 2HD PRO 10 2HD PRO 10 17.512 -27.374 -8.677 468 H ASP 11 H ASP 11 20.343 -27.496 -6.044 469 HA ASP 11 HA ASP 11 22.433 -27.784 -4.998 470 1HB ASP 11 1HB ASP 11 22.384 -25.073 -6.210 471 2HB ASP 11 2HB ASP 11 23.659 -25.359 -5.025 472 H ASN 12 H ASN 12 22.062 -24.423 -3.961 473 HA ASN 12 HA ASN 12 21.275 -25.277 -1.227 474 1HB ASN 12 1HB ASN 12 23.264 -24.109 -0.295 475 2HB ASN 12 2HB ASN 12 23.731 -25.451 -1.340 476 2HD2 ASN 12 2HD2 ASN 12 23.618 -21.916 -1.105 477 1HD2 ASN 12 1HD2 ASN 12 24.604 -21.619 -2.453 478 H VAL 13 H VAL 13 19.999 -23.661 -3.347 479 HA VAL 13 HA VAL 13 20.262 -20.865 -2.543 480 HB VAL 13 HB VAL 13 19.810 -21.700 -4.860 481 1HG1 VAL 13 1HG1 VAL 13 17.180 -22.462 -3.576 482 2HG1 VAL 13 2HG1 VAL 13 17.346 -22.212 -5.312 483 3HG1 VAL 13 3HG1 VAL 13 18.268 -23.485 -4.514 484 1HG2 VAL 13 1HG2 VAL 13 18.846 -19.449 -3.556 485 2HG2 VAL 13 2HG2 VAL 13 18.874 -19.689 -5.303 486 3HG2 VAL 13 3HG2 VAL 13 17.420 -20.077 -4.383 487 HA PRO 14 HA PRO 14 16.032 -21.768 -0.542 488 1HB PRO 14 1HB PRO 14 15.645 -24.241 0.551 489 2HB PRO 14 2HB PRO 14 15.174 -23.838 -1.111 490 1HG PRO 14 2HG PRO 14 17.469 -25.413 -0.130 491 2HG PRO 14 1HG PRO 14 16.568 -25.546 -1.644 492 1HD PRO 14 1HD PRO 14 19.068 -24.350 -1.320 493 2HD PRO 14 2HD PRO 14 17.999 -24.176 -2.721 494 H MET 15 H MET 15 18.304 -24.076 1.005 495 HA MET 15 HA MET 15 19.215 -24.082 3.185 496 1HB MET 15 1HB MET 15 19.561 -21.547 1.863 497 2HB MET 15 2HB MET 15 19.393 -21.276 3.598 498 1HG MET 15 1HG MET 15 21.164 -22.907 4.052 499 2HG MET 15 2HG MET 15 21.305 -23.260 2.330 500 1HE MET 15 1HE MET 15 23.362 -22.987 1.902 501 2HE MET 15 2HE MET 15 24.315 -21.503 1.767 502 3HE MET 15 3HE MET 15 24.224 -22.358 3.303 503 H ASP 16 H ASP 16 18.917 -22.514 5.381 504 HA ASP 16 HA ASP 16 16.091 -21.790 5.799 505 1HB ASP 16 1HB ASP 16 15.837 -23.534 7.575 506 2HB ASP 16 2HB ASP 16 16.077 -24.236 5.975 507 H MET 17 H MET 17 18.485 -20.263 6.024 508 HA MET 17 HA MET 17 19.722 -20.123 8.547 509 1HB MET 17 2HB MET 17 20.094 -17.753 7.913 510 2HB MET 17 1HB MET 17 20.337 -18.830 6.537 511 1HG MET 17 1HG MET 17 17.927 -18.385 5.891 512 2HG MET 17 2HG MET 17 17.906 -17.127 7.128 513 1HE MET 17 1HE MET 17 19.612 -15.661 7.501 514 2HE MET 17 2HE MET 17 20.942 -15.199 6.441 515 3HE MET 17 3HE MET 17 19.385 -14.370 6.324 516 H SER 18 H SER 18 16.490 -19.098 7.584 517 HA SER 18 HA SER 18 15.908 -17.401 9.826 518 1HB SER 18 1HB SER 18 13.885 -19.128 8.420 519 2HB SER 18 2HB SER 18 13.731 -17.455 8.949 520 HG SER 18 HG SER 18 15.221 -16.887 7.319 521 HA PRO 19 HA PRO 19 15.315 -20.553 12.874 522 1HB PRO 19 1HB PRO 19 14.153 -19.017 14.808 523 2HB PRO 19 2HB PRO 19 15.875 -18.921 14.399 524 1HG PRO 19 1HG PRO 19 13.709 -17.035 13.815 525 2HG PRO 19 2HG PRO 19 15.451 -16.760 13.907 526 1HD PRO 19 1HD PRO 19 13.854 -17.051 11.566 527 2HD PRO 19 2HD PRO 19 15.618 -16.863 11.665 528 H LYS 20 H LYS 20 13.113 -20.182 10.818 529 HA LYS 20 HA LYS 20 10.941 -21.023 10.486 530 1HB LYS 20 1HB LYS 20 12.025 -22.784 12.000 531 2HB LYS 20 2HB LYS 20 11.160 -22.019 13.334 532 1HG LYS 20 1HG LYS 20 9.597 -22.699 10.882 533 2HG LYS 20 2HG LYS 20 10.076 -24.024 11.944 534 1HD LYS 20 1HD LYS 20 9.166 -22.484 13.853 535 2HD LYS 20 2HD LYS 20 8.308 -21.666 12.547 536 1HE LYS 20 1HE LYS 20 7.172 -23.708 11.913 537 2HE LYS 20 2HE LYS 20 8.162 -24.660 13.037 538 1HZ LYS 20 1HZ LYS 20 6.589 -22.333 13.959 539 2HZ LYS 20 2HZ LYS 20 5.891 -23.880 13.863 540 3HZ LYS 20 3HZ LYS 20 7.226 -23.608 14.879 541 H ALA 21 H ALA 21 10.858 -20.225 13.986 542 HA ALA 21 HA ALA 21 8.283 -19.196 14.149 543 1HB ALA 21 1HB ALA 21 10.690 -17.960 15.505 544 2HB ALA 21 3HB ALA 21 9.061 -18.148 16.154 545 3HB ALA 21 2HB ALA 21 10.089 -19.563 15.929 546 H LEU 22 H LEU 22 11.220 -17.311 13.342 547 HA LEU 22 HA LEU 22 9.668 -14.886 12.773 548 1HB LEU 22 1HB LEU 22 12.546 -15.783 12.576 549 2HB LEU 22 2HB LEU 22 12.042 -14.226 11.919 550 HG LEU 22 HG LEU 22 11.070 -13.660 14.160 551 1HD1 LEU 22 1HD1 LEU 22 12.141 -16.398 14.708 552 2HD1 LEU 22 2HD1 LEU 22 12.203 -15.202 16.001 553 3HD1 LEU 22 3HD1 LEU 22 10.656 -15.646 15.280 554 1HD2 LEU 22 1HD2 LEU 22 13.990 -14.251 13.753 555 2HD2 LEU 22 2HD2 LEU 22 13.176 -12.689 13.838 556 3HD2 LEU 22 3HD2 LEU 22 13.437 -13.628 15.308 557 H GLN 23 H GLN 23 11.302 -17.440 10.975 558 HA GLN 23 HA GLN 23 11.230 -16.467 8.347 559 1HB GLN 23 1HB GLN 23 12.128 -18.657 9.311 560 2HB GLN 23 2HB GLN 23 10.483 -19.279 9.182 561 1HG GLN 23 1HG GLN 23 10.960 -18.094 6.699 562 2HG GLN 23 2HG GLN 23 12.476 -18.905 7.091 563 2HE2 GLN 23 2HE2 GLN 23 10.333 -19.685 5.087 564 1HE2 GLN 23 1HE2 GLN 23 9.894 -21.269 5.514 565 H GLN 24 H GLN 24 8.630 -18.359 9.947 566 HA GLN 24 HA GLN 24 6.746 -18.080 7.793 567 1HB GLN 24 1HB GLN 24 6.715 -19.807 9.582 568 2HB GLN 24 2HB GLN 24 6.334 -18.554 10.765 569 1HG GLN 24 1HG GLN 24 4.597 -18.782 8.339 570 2HG GLN 24 2HG GLN 24 4.401 -19.977 9.621 571 2HE2 GLN 24 2HE2 GLN 24 2.435 -17.894 8.923 572 1HE2 GLN 24 1HE2 GLN 24 2.264 -16.908 10.294 573 H LYS 25 H LYS 25 7.235 -16.239 10.814 574 HA LYS 25 HA LYS 25 4.974 -14.514 10.579 575 1HB LYS 25 1HB LYS 25 7.524 -14.700 12.047 576 2HB LYS 25 2HB LYS 25 6.922 -13.052 11.863 577 1HG LYS 25 1HG LYS 25 5.306 -13.404 13.391 578 2HG LYS 25 2HG LYS 25 4.756 -14.851 12.545 579 1HD LYS 25 1HD LYS 25 6.196 -16.259 13.749 580 2HD LYS 25 2HD LYS 25 7.261 -14.931 14.212 581 1HE LYS 25 1HE LYS 25 5.333 -13.995 15.584 582 2HE LYS 25 2HE LYS 25 4.489 -15.528 15.288 583 1HZ LYS 25 1HZ LYS 25 6.660 -16.606 16.022 584 2HZ LYS 25 2HZ LYS 25 7.070 -15.088 16.666 585 3HZ LYS 25 3HZ LYS 25 5.698 -15.912 17.235 586 H ILE 26 H ILE 26 8.281 -14.246 9.286 587 HA ILE 26 HA ILE 26 7.827 -11.580 8.167 588 HB ILE 26 HB ILE 26 9.981 -13.686 7.799 589 1HG1 ILE 26 1HG1 ILE 26 10.044 -11.128 9.421 590 2HG1 ILE 26 2HG1 ILE 26 9.599 -12.688 10.113 591 1HG2 ILE 26 1HG2 ILE 26 9.473 -11.212 6.400 592 2HG2 ILE 26 2HG2 ILE 26 10.969 -11.079 7.324 593 3HG2 ILE 26 3HG2 ILE 26 10.773 -12.377 6.147 594 1HD1 ILE 26 1HD1 ILE 26 12.204 -12.159 8.656 595 2HD1 ILE 26 2HD1 ILE 26 12.027 -12.124 10.410 596 3HD1 ILE 26 3HD1 ILE 26 11.759 -13.627 9.527 597 H HIS 27 H HIS 27 8.065 -14.899 6.854 598 HA HIS 27 HA HIS 27 7.721 -14.180 4.097 599 1HB HIS 27 1HB HIS 27 8.625 -16.318 4.894 600 2HB HIS 27 2HB HIS 27 7.081 -16.707 5.653 601 HD1 HIS 27 HD1 HIS 27 8.620 -16.170 2.229 602 HD2 HIS 27 HD2 HIS 27 5.167 -17.785 3.916 603 HE1 HIS 27 HE1 HIS 27 7.374 -17.320 0.348 604 H GLU 28 H GLU 28 5.421 -14.807 6.711 605 HA GLU 28 HA GLU 28 3.095 -14.924 4.940 606 1HB GLU 28 1HB GLU 28 3.500 -16.005 7.252 607 2HB GLU 28 2HB GLU 28 3.139 -14.412 7.917 608 1HG GLU 28 2HG GLU 28 1.092 -15.736 7.866 609 2HG GLU 28 1HG GLU 28 0.967 -14.430 6.686 610 H LEU 29 H LEU 29 4.607 -12.480 7.043 611 HA LEU 29 HA LEU 29 2.517 -10.499 6.694 612 1HB LEU 29 1HB LEU 29 5.359 -10.569 7.698 613 2HB LEU 29 2HB LEU 29 4.491 -9.039 7.572 614 HG LEU 29 HG LEU 29 3.434 -11.460 9.057 615 1HD1 LEU 29 1HD1 LEU 29 5.176 -9.175 9.897 616 2HD1 LEU 29 2HD1 LEU 29 3.946 -9.745 11.025 617 3HD1 LEU 29 3HD1 LEU 29 5.189 -10.852 10.442 618 1HD2 LEU 29 1HD2 LEU 29 2.364 -8.853 8.283 619 2HD2 LEU 29 2HD2 LEU 29 1.520 -10.259 8.931 620 3HD2 LEU 29 3HD2 LEU 29 2.288 -9.109 10.026 621 H GLU 30 H GLU 30 5.557 -11.234 5.021 622 HA GLU 30 HA GLU 30 5.797 -8.855 3.474 623 1HB GLU 30 1HB GLU 30 7.531 -10.581 3.740 624 2HB GLU 30 2HB GLU 30 6.530 -11.737 2.861 625 1HG GLU 30 1HG GLU 30 7.145 -9.120 1.547 626 2HG GLU 30 2HG GLU 30 8.419 -10.338 1.613 627 H GLY 31 H GLY 31 4.245 -11.975 2.618 628 1HA GLY 31 2HA GLY 31 2.701 -12.479 0.920 629 2HA GLY 31 1HA GLY 31 3.258 -11.031 0.082 630 H LEU 32 H LEU 32 2.014 -10.908 3.362 631 HA LEU 32 HA LEU 32 -0.735 -10.368 2.779 632 1HB LEU 32 1HB LEU 32 0.706 -10.839 4.981 633 2HB LEU 32 2HB LEU 32 0.675 -9.079 5.081 634 HG LEU 32 HG LEU 32 -1.830 -9.187 4.802 635 1HD1 LEU 32 1HD1 LEU 32 -1.186 -12.131 4.972 636 2HD1 LEU 32 2HD1 LEU 32 -2.763 -11.510 5.458 637 3HD1 LEU 32 3HD1 LEU 32 -2.205 -11.297 3.799 638 1HD2 LEU 32 1HD2 LEU 32 -0.267 -9.493 7.059 639 2HD2 LEU 32 2HD2 LEU 32 -2.006 -9.195 7.066 640 3HD2 LEU 32 3HD2 LEU 32 -1.392 -10.844 7.192 641 H MET 33 H MET 33 2.132 -8.308 2.784 642 HA MET 33 HA MET 33 0.852 -5.755 2.835 643 1HB MET 33 1HB MET 33 3.449 -6.934 1.939 644 2HB MET 33 2HB MET 33 3.079 -5.287 1.428 645 1HG MET 33 1HG MET 33 3.311 -4.449 3.530 646 2HG MET 33 2HG MET 33 2.524 -5.841 4.273 647 1HE MET 33 1HE MET 33 5.464 -5.150 1.937 648 2HE MET 33 2HE MET 33 5.877 -4.129 3.321 649 3HE MET 33 3HE MET 33 6.892 -5.509 2.905 650 H MET 34 H MET 34 2.128 -7.529 -0.013 651 HA MET 34 HA MET 34 1.042 -5.828 -2.001 652 1HB MET 34 1HB MET 34 2.726 -7.828 -2.047 653 2HB MET 34 2HB MET 34 1.288 -8.815 -2.308 654 1HG MET 34 1HG MET 34 0.936 -7.988 -4.413 655 2HG MET 34 2HG MET 34 1.516 -6.378 -3.989 656 1HE MET 34 1HE MET 34 3.550 -5.766 -3.419 657 2HE MET 34 2HE MET 34 4.903 -6.852 -3.114 658 3HE MET 34 3HE MET 34 4.824 -5.959 -4.631 659 H GLN 35 H GLN 35 -0.365 -8.746 -0.491 660 HA GLN 35 HA GLN 35 -2.697 -9.045 -2.012 661 1HB GLN 35 1HB GLN 35 -1.975 -10.573 -0.257 662 2HB GLN 35 2HB GLN 35 -2.214 -9.330 0.970 663 1HG GLN 35 2HG GLN 35 -4.308 -10.133 1.215 664 2HG GLN 35 1HG GLN 35 -4.662 -9.446 -0.370 665 2HE2 GLN 35 2HE2 GLN 35 -4.113 -12.432 1.371 666 1HE2 GLN 35 1HE2 GLN 35 -4.344 -13.473 0.051 667 H HIS 36 H HIS 36 -2.918 -7.539 1.211 668 HA HIS 36 HA HIS 36 -5.336 -6.186 0.832 669 1HB HIS 36 1HB HIS 36 -2.865 -5.565 2.462 670 2HB HIS 36 2HB HIS 36 -4.378 -4.682 2.663 671 HD1 HIS 36 HD1 HIS 36 -6.235 -7.235 2.193 672 HD2 HIS 36 HD2 HIS 36 -3.069 -6.991 4.897 673 HE1 HIS 36 HE1 HIS 36 -6.667 -8.993 3.963 674 H ALA 37 H ALA 37 -2.067 -4.731 0.459 675 HA ALA 37 HA ALA 37 -2.739 -2.175 -0.437 676 1HB ALA 37 1HB ALA 37 -0.466 -2.775 -0.053 677 2HB ALA 37 3HB ALA 37 -0.550 -4.126 -1.183 678 3HB ALA 37 2HB ALA 37 -0.559 -2.470 -1.787 679 H GLN 38 H GLN 38 -2.583 -5.183 -2.368 680 HA GLN 38 HA GLN 38 -3.102 -4.018 -4.929 681 1HB GLN 38 1HB GLN 38 -3.170 -6.666 -3.606 682 2HB GLN 38 2HB GLN 38 -4.203 -6.528 -5.027 683 1HG GLN 38 1HG GLN 38 -2.228 -5.587 -6.278 684 2HG GLN 38 2HG GLN 38 -1.229 -5.973 -4.875 685 2HE2 GLN 38 2HE2 GLN 38 -2.025 -7.194 -7.838 686 1HE2 GLN 38 1HE2 GLN 38 -1.878 -8.855 -7.520 687 H ASN 39 H ASN 39 -5.214 -5.017 -2.278 688 HA ASN 39 HA ASN 39 -7.658 -4.424 -3.850 689 1HB ASN 39 1HB ASN 39 -6.969 -5.590 -1.156 690 2HB ASN 39 2HB ASN 39 -8.623 -5.084 -1.503 691 2HD2 ASN 39 2HD2 ASN 39 -5.997 -7.088 -2.961 692 1HD2 ASN 39 1HD2 ASN 39 -7.049 -8.239 -3.631 693 H LEU 40 H LEU 40 -5.509 -2.409 -2.773 694 HA LEU 40 HA LEU 40 -5.510 -0.234 -1.911 695 1HB LEU 40 1HB LEU 40 -8.322 -0.735 -2.864 696 2HB LEU 40 2HB LEU 40 -7.906 0.807 -2.117 697 HG LEU 40 HG LEU 40 -5.883 0.760 -3.786 698 1HD1 LEU 40 1HD1 LEU 40 -7.785 -1.306 -4.872 699 2HD1 LEU 40 2HD1 LEU 40 -6.804 -0.338 -5.972 700 3HD1 LEU 40 3HD1 LEU 40 -6.026 -1.366 -4.770 701 1HD2 LEU 40 1HD2 LEU 40 -7.898 2.313 -3.767 702 2HD2 LEU 40 2HD2 LEU 40 -7.182 2.040 -5.355 703 3HD2 LEU 40 3HD2 LEU 40 -8.666 1.202 -4.901 704 H GLU 41 H GLU 41 -6.173 -2.621 -0.100 705 HA GLU 41 HA GLU 41 -8.014 -1.710 1.929 706 1HB GLU 41 1HB GLU 41 -5.771 -3.716 1.715 707 2HB GLU 41 2HB GLU 41 -6.566 -3.437 3.264 708 1HG GLU 41 1HG GLU 41 -8.402 -3.792 0.977 709 2HG GLU 41 2HG GLU 41 -7.454 -5.220 1.396 710 H PHE 42 H PHE 42 -4.466 -1.625 1.640 711 HA PHE 42 HA PHE 42 -2.853 -0.353 2.795 712 1HB PHE 42 1HB PHE 42 -5.211 1.377 2.165 713 2HB PHE 42 2HB PHE 42 -3.921 2.068 3.148 714 HD1 PHE 42 HD1 PHE 42 -1.491 0.818 2.075 715 HD2 PHE 42 HD2 PHE 42 -4.985 2.281 0.001 716 HE1 PHE 42 HE1 PHE 42 -0.121 1.185 0.026 717 HE2 PHE 42 HE2 PHE 42 -3.613 2.647 -2.048 718 HZ PHE 42 HZ PHE 42 -1.181 2.100 -2.032 719 H GLU 43 H GLU 43 -2.748 1.324 4.760 720 HA GLU 43 HA GLU 43 -2.889 1.685 7.064 721 1HB GLU 43 1HB GLU 43 -5.268 2.066 6.622 722 2HB GLU 43 2HB GLU 43 -5.575 0.333 6.613 723 1HG GLU 43 1HG GLU 43 -4.627 0.286 8.979 724 2HG GLU 43 2HG GLU 43 -4.741 2.047 8.951 725 H GLU 44 H GLU 44 -4.466 -1.419 6.463 726 HA GLU 44 HA GLU 44 -2.929 -2.730 8.597 727 1HB GLU 44 2HB GLU 44 -4.350 -4.641 8.006 728 2HB GLU 44 1HB GLU 44 -5.335 -3.182 8.099 729 1HG GLU 44 1HG GLU 44 -5.351 -2.957 5.692 730 2HG GLU 44 2HG GLU 44 -4.175 -4.258 5.515 731 H ALA 45 H ALA 45 -2.896 -2.500 5.079 732 HA ALA 45 HA ALA 45 -1.023 -4.717 4.703 733 1HB ALA 45 1HB ALA 45 -2.859 -3.578 3.167 734 2HB ALA 45 3HB ALA 45 -1.406 -4.277 2.453 735 3HB ALA 45 2HB ALA 45 -1.513 -2.536 2.708 736 H ALA 46 H ALA 46 -0.781 -1.146 4.494 737 HA ALA 46 HA ALA 46 2.060 -1.187 3.925 738 1HB ALA 46 1HB ALA 46 1.817 1.173 3.969 739 2HB ALA 46 3HB ALA 46 0.254 0.575 3.416 740 3HB ALA 46 2HB ALA 46 0.458 1.093 5.091 741 H GLN 47 H GLN 47 0.147 -0.761 6.910 742 HA GLN 47 HA GLN 47 2.169 0.069 8.683 743 1HB GLN 47 1HB GLN 47 -0.326 -1.579 8.846 744 2HB GLN 47 2HB GLN 47 0.715 -1.505 10.268 745 1HG GLN 47 1HG GLN 47 -0.173 0.984 8.801 746 2HG GLN 47 2HG GLN 47 -1.117 0.281 10.115 747 2HE2 GLN 47 2HE2 GLN 47 -0.696 2.047 11.601 748 1HE2 GLN 47 1HE2 GLN 47 0.845 2.316 12.260 749 H ILE 48 H ILE 48 1.743 -3.025 7.117 750 HA ILE 48 HA ILE 48 3.246 -4.675 8.916 751 HB ILE 48 HB ILE 48 2.793 -4.776 5.915 752 1HG1 ILE 48 1HG1 ILE 48 1.383 -6.309 8.113 753 2HG1 ILE 48 2HG1 ILE 48 0.787 -4.762 7.508 754 1HG2 ILE 48 1HG2 ILE 48 4.700 -6.191 6.670 755 2HG2 ILE 48 2HG2 ILE 48 3.626 -6.981 7.824 756 3HG2 ILE 48 3HG2 ILE 48 3.339 -7.154 6.093 757 1HD1 ILE 48 1HD1 ILE 48 1.332 -7.180 5.761 758 2HD1 ILE 48 2HD1 ILE 48 -0.262 -6.731 6.369 759 3HD1 ILE 48 3HD1 ILE 48 0.591 -5.661 5.257 760 H ARG 49 H ARG 49 4.228 -2.384 6.422 761 HA ARG 49 HA ARG 49 6.867 -3.232 5.896 762 1HB ARG 49 2HB ARG 49 7.225 -0.876 5.310 763 2HB ARG 49 1HB ARG 49 5.609 -1.368 4.807 764 1HG ARG 49 1HG ARG 49 4.996 0.542 5.906 765 2HG ARG 49 2HG ARG 49 5.068 -0.512 7.318 766 1HD ARG 49 1HD ARG 49 7.590 0.170 7.411 767 2HD ARG 49 2HD ARG 49 7.082 1.530 6.391 768 HE ARG 49 HE ARG 49 5.556 0.950 8.885 769 1HH1 ARG 49 1HH1 ARG 49 4.489 3.293 8.245 770 2HH1 ARG 49 2HH1 ARG 49 5.603 4.555 8.652 771 1HH2 ARG 49 1HH2 ARG 49 8.340 2.435 8.860 772 2HH2 ARG 49 2HH2 ARG 49 7.784 4.070 9.000 773 H ASP 50 H ASP 50 5.510 -1.770 8.774 774 HA ASP 50 HA ASP 50 8.087 -1.017 9.942 775 1HB ASP 50 1HB ASP 50 5.238 -0.754 10.445 776 2HB ASP 50 2HB ASP 50 6.093 -1.208 11.920 777 H GLN 51 H GLN 51 5.779 -3.710 10.281 778 HA GLN 51 HA GLN 51 7.259 -5.008 12.428 779 1HB GLN 51 2HB GLN 51 5.144 -5.996 10.485 780 2HB GLN 51 1HB GLN 51 5.625 -6.816 11.972 781 1HG GLN 51 1HG GLN 51 4.844 -4.967 13.322 782 2HG GLN 51 2HG GLN 51 4.537 -3.989 11.886 783 2HE2 GLN 51 2HE2 GLN 51 3.779 -7.460 12.071 784 1HE2 GLN 51 1HE2 GLN 51 2.094 -7.268 12.009 785 H LEU 52 H LEU 52 6.906 -5.597 8.913 786 HA LEU 52 HA LEU 52 8.562 -7.895 8.725 787 1HB LEU 52 1HB LEU 52 7.086 -6.248 7.062 788 2HB LEU 52 2HB LEU 52 8.737 -5.971 6.507 789 HG LEU 52 HG LEU 52 7.701 -7.860 5.299 790 1HD1 LEU 52 1HD1 LEU 52 10.199 -7.759 6.185 791 2HD1 LEU 52 2HD1 LEU 52 9.680 -9.143 7.148 792 3HD1 LEU 52 3HD1 LEU 52 9.587 -9.209 5.387 793 1HD2 LEU 52 1HD2 LEU 52 6.577 -8.431 7.786 794 2HD2 LEU 52 2HD2 LEU 52 6.494 -9.457 6.354 795 3HD2 LEU 52 3HD2 LEU 52 7.760 -9.718 7.554 796 H HIS 53 H HIS 53 9.391 -4.437 8.726 797 HA HIS 53 HA HIS 53 12.191 -4.811 8.085 798 1HB HIS 53 1HB HIS 53 10.500 -2.740 8.076 799 2HB HIS 53 2HB HIS 53 11.178 -2.493 9.686 800 HD1 HIS 53 HD1 HIS 53 14.085 -3.285 9.248 801 HD2 HIS 53 HD2 HIS 53 11.952 -0.949 6.533 802 HE1 HIS 53 HE1 HIS 53 15.804 -2.000 7.902 803 H GLN 54 H GLN 54 10.358 -4.501 11.125 804 HA GLN 54 HA GLN 54 12.684 -4.484 12.851 805 1HB GLN 54 1HB GLN 54 9.715 -4.889 13.109 806 2HB GLN 54 2HB GLN 54 10.756 -5.195 14.499 807 1HG GLN 54 1HG GLN 54 11.496 -2.708 13.216 808 2HG GLN 54 2HG GLN 54 9.783 -2.698 13.636 809 2HE2 GLN 54 2HE2 GLN 54 12.997 -2.486 14.930 810 1HE2 GLN 54 1HE2 GLN 54 12.561 -2.437 16.570 811 H LEU 55 H LEU 55 10.492 -7.022 11.656 812 HA LEU 55 HA LEU 55 11.438 -9.187 13.245 813 1HB LEU 55 1HB LEU 55 10.241 -8.919 10.482 814 2HB LEU 55 2HB LEU 55 10.583 -10.496 11.194 815 HG LEU 55 HG LEU 55 8.969 -8.415 12.671 816 1HD1 LEU 55 1HD1 LEU 55 7.875 -8.860 10.492 817 2HD1 LEU 55 2HD1 LEU 55 7.930 -10.591 10.828 818 3HD1 LEU 55 3HD1 LEU 55 6.942 -9.528 11.833 819 1HD2 LEU 55 1HD2 LEU 55 10.074 -10.760 13.505 820 2HD2 LEU 55 2HD2 LEU 55 8.591 -10.087 14.184 821 3HD2 LEU 55 3HD2 LEU 55 8.505 -11.332 12.938 822 H ARG 56 H ARG 56 12.784 -7.622 10.401 823 HA ARG 56 HA ARG 56 14.611 -9.654 9.565 824 1HB ARG 56 1HB ARG 56 14.183 -7.827 8.117 825 2HB ARG 56 2HB ARG 56 14.438 -6.643 9.394 826 1HG ARG 56 1HG ARG 56 16.308 -6.792 7.684 827 2HG ARG 56 2HG ARG 56 16.818 -6.993 9.359 828 1HD ARG 56 1HD ARG 56 17.439 -9.168 9.031 829 2HD ARG 56 2HD ARG 56 16.050 -9.504 7.978 830 HE ARG 56 HE ARG 56 17.411 -7.914 6.334 831 1HH1 ARG 56 1HH1 ARG 56 19.978 -7.661 7.143 832 2HH1 ARG 56 2HH1 ARG 56 20.791 -9.156 6.822 833 1HH2 ARG 56 1HH2 ARG 56 17.863 -10.987 6.510 834 2HH2 ARG 56 2HH2 ARG 56 19.593 -11.040 6.463 835 H GLU 57 H GLU 57 15.543 -6.654 11.253 836 HA GLU 57 HA GLU 57 18.063 -7.468 12.183 837 1HB GLU 57 2HB GLU 57 16.029 -5.720 13.609 838 2HB GLU 57 1HB GLU 57 17.780 -5.651 13.802 839 1HG GLU 57 1HG GLU 57 17.785 -5.278 11.207 840 2HG GLU 57 2HG GLU 57 16.103 -4.806 11.457 841 H LEU 58 H LEU 58 14.873 -7.985 13.664 842 HA LEU 58 HA LEU 58 15.647 -9.027 16.173 843 1HB LEU 58 1HB LEU 58 13.352 -9.201 14.301 844 2HB LEU 58 2HB LEU 58 13.434 -10.476 15.515 845 HG LEU 58 HG LEU 58 13.711 -7.549 16.221 846 1HD1 LEU 58 1HD1 LEU 58 11.363 -8.959 15.344 847 2HD1 LEU 58 2HD1 LEU 58 11.199 -8.576 17.058 848 3HD1 LEU 58 3HD1 LEU 58 11.501 -7.288 15.890 849 1HD2 LEU 58 1HD2 LEU 58 14.243 -9.843 17.653 850 2HD2 LEU 58 2HD2 LEU 58 13.840 -8.283 18.369 851 3HD2 LEU 58 3HD2 LEU 58 12.581 -9.492 18.124 852 H PHE 59 H PHE 59 15.966 -10.414 12.992 853 HA PHE 59 HA PHE 59 15.976 -13.177 13.429 854 1HB PHE 59 1HB PHE 59 16.284 -12.127 11.256 855 2HB PHE 59 2HB PHE 59 17.803 -11.401 11.778 856 HD1 PHE 59 HD1 PHE 59 16.264 -14.846 11.884 857 HD2 PHE 59 HD2 PHE 59 19.703 -12.427 10.900 858 HE1 PHE 59 HE1 PHE 59 17.497 -16.890 11.162 859 HE2 PHE 59 HE2 PHE 59 20.934 -14.470 10.178 860 HZ PHE 59 HZ PHE 59 19.831 -16.702 10.309 861 H ILE 60 H ILE 60 18.655 -10.878 14.022 862 HA ILE 60 HA ILE 60 20.536 -12.850 14.949 863 HB ILE 60 HB ILE 60 20.278 -9.889 15.573 864 1HG1 ILE 60 2HG1 ILE 60 22.219 -10.432 13.566 865 2HG1 ILE 60 1HG1 ILE 60 20.747 -11.286 13.102 866 1HG2 ILE 60 1HG2 ILE 60 21.962 -11.570 16.790 867 2HG2 ILE 60 2HG2 ILE 60 22.885 -11.323 15.308 868 3HG2 ILE 60 3HG2 ILE 60 22.461 -9.945 16.322 869 1HD1 ILE 60 1HD1 ILE 60 20.618 -8.429 14.046 870 2HD1 ILE 60 2HD1 ILE 60 21.021 -8.800 12.369 871 3HD1 ILE 60 3HD1 ILE 60 19.471 -9.314 13.038 872 H ALA 61 H ALA 61 18.124 -10.823 16.605 873 HA ALA 61 HA ALA 61 18.876 -11.422 19.295 874 1HB ALA 61 1HB ALA 61 17.289 -9.651 18.391 875 2HB ALA 61 3HB ALA 61 16.093 -10.932 18.194 876 3HB ALA 61 2HB ALA 61 16.692 -10.524 19.802 877 H ALA 62 H ALA 62 17.227 -13.309 16.871 878 HA ALA 62 HA ALA 62 16.300 -15.282 18.911 879 1HB ALA 62 1HB ALA 62 15.610 -16.000 16.242 880 2HB ALA 62 3HB ALA 62 15.380 -14.257 16.386 881 3HB ALA 62 2HB ALA 62 14.546 -15.351 17.491 882 H SER 63 H SER 63 17.657 -15.578 15.606 883 HA SER 63 HA SER 63 19.416 -17.777 16.647 884 1HB SER 63 1HB SER 63 17.641 -18.554 15.164 885 2HB SER 63 2HB SER 63 18.063 -17.332 13.966 886 HG SER 63 HG SER 63 19.482 -19.636 14.768 No H/Q in entry = 886
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