NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15151 | 1xn7 | 6367 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H MET 1 -20.920 -0.398 14.906 2 HA MET 1 HA MET 1 -20.002 0.407 12.928 3 2HB MET 1 2HB MET 1 -19.572 -1.796 11.667 4 2HG MET 1 2HG MET 1 -18.852 -1.074 14.318 5 1HE MET 1 1HE MET 1 -19.014 -1.503 16.267 6 2HE MET 1 2HE MET 1 -20.103 -2.691 17.024 7 3HE MET 1 3HE MET 1 -18.364 -3.043 16.878 8 H ALA 2 H ALA 2 -20.033 0.123 10.391 9 HA ALA 2 HA ALA 2 -22.784 0.680 9.569 10 1HB ALA 2 1HB ALA 2 -21.894 2.181 8.093 11 2HB ALA 2 2HB ALA 2 -20.518 2.135 9.221 12 3HB ALA 2 3HB ALA 2 -20.484 1.156 7.735 13 H SER 3 H SER 3 -22.775 0.131 6.902 14 HA SER 3 HA SER 3 -22.508 -2.749 6.966 15 2HB SER 3 2HB SER 3 -24.693 -2.106 6.302 16 HG SER 3 HG SER 3 -23.336 0.002 5.006 17 H LEU 4 H LEU 4 -21.728 -3.846 4.889 18 HA LEU 4 HA LEU 4 -19.263 -2.630 4.108 19 2HB LEU 4 2HB LEU 4 -19.727 -4.883 2.524 20 HG LEU 4 HG LEU 4 -18.367 -4.700 5.226 21 1HD1 LEU 4 1HD1 LEU 4 -18.746 -6.975 5.032 22 2HD1 LEU 4 2HD1 LEU 4 -18.600 -6.958 3.258 23 3HD1 LEU 4 3HD1 LEU 4 -17.147 -6.786 4.271 24 1HD2 LEU 4 1HD2 LEU 4 -16.775 -3.598 4.146 25 2HD2 LEU 4 2HD2 LEU 4 -16.498 -5.047 3.150 26 3HD2 LEU 4 3HD2 LEU 4 -17.628 -3.789 2.595 27 H ILE 5 H ILE 5 -22.525 -3.088 2.733 28 HA ILE 5 HA ILE 5 -21.994 -2.591 0.087 29 HB ILE 5 HB ILE 5 -24.396 -1.638 1.647 30 2HG1 ILE 5 2HG1 ILE 5 -25.332 -3.910 0.936 31 1HG2 ILE 5 1HG2 ILE 5 -24.580 -2.687 -1.130 32 2HG2 ILE 5 2HG2 ILE 5 -25.505 -1.402 -0.317 33 3HG2 ILE 5 3HG2 ILE 5 -23.860 -1.074 -0.911 34 1HD1 ILE 5 1HD1 ILE 5 -23.091 -4.263 -0.488 35 2HD1 ILE 5 2HD1 ILE 5 -22.478 -4.864 1.072 36 3HD1 ILE 5 3HD1 ILE 5 -23.895 -5.633 0.316 37 H GLN 6 H GLN 6 -21.905 -0.417 2.875 38 HA GLN 6 HA GLN 6 -22.160 1.963 1.468 39 2HB GLN 6 2HB GLN 6 -20.590 2.657 3.609 40 2HG GLN 6 2HG GLN 6 -23.403 1.858 4.272 41 1HE2 GLN 6 1HE2 GLN 6 -21.745 4.836 3.280 42 2HE2 GLN 6 2HE2 GLN 6 -21.813 5.652 4.807 43 H VAL 7 H VAL 7 -19.215 0.146 2.581 44 HA VAL 7 HA VAL 7 -17.406 1.927 1.370 45 HB VAL 7 HB VAL 7 -16.766 0.520 3.200 46 1HG1 VAL 7 1HG1 VAL 7 -16.474 -1.998 2.747 47 2HG1 VAL 7 2HG1 VAL 7 -18.122 -1.395 3.048 48 3HG1 VAL 7 3HG1 VAL 7 -17.594 -1.750 1.386 49 1HG2 VAL 7 1HG2 VAL 7 -15.097 -0.882 1.253 50 2HG2 VAL 7 2HG2 VAL 7 -15.283 0.847 0.871 51 3HG2 VAL 7 3HG2 VAL 7 -14.659 0.349 2.462 52 H ARG 8 H ARG 8 -19.151 -1.002 0.272 53 HA ARG 8 HA ARG 8 -17.640 -1.313 -2.051 54 2HB ARG 8 2HB ARG 8 -19.842 -2.588 -2.783 55 2HG ARG 8 2HG ARG 8 -18.804 -3.660 -0.173 56 2HD ARG 8 2HD ARG 8 -20.211 -4.972 -1.872 57 HE ARG 8 HE ARG 8 -19.345 -4.589 -4.036 58 1HH1 ARG 8 2HH2 ARG 8 -16.761 -5.701 -1.882 59 2HH1 ARG 8 1HH2 ARG 8 -15.633 -5.966 -3.169 60 2HH2 ARG 8 1HH ARG 8 -16.298 -5.510 -5.426 61 H ASP 9 H ASP 9 -20.806 0.295 -1.317 62 HA ASP 9 HA ASP 9 -21.403 0.995 -3.913 63 2HB ASP 9 2HB ASP 9 -22.050 2.602 -1.400 64 HD2 ASP 9 HD ASP 9 -25.161 3.318 -2.998 65 H LEU 10 H LEU 10 -19.778 2.832 -1.220 66 HA LEU 10 HA LEU 10 -19.317 5.170 -2.649 67 2HB LEU 10 2HB LEU 10 -17.288 5.150 -0.880 68 HG LEU 10 HG LEU 10 -18.871 5.923 0.898 69 1HD1 LEU 10 1HD1 LEU 10 -19.539 7.967 -0.260 70 2HD1 LEU 10 2HD1 LEU 10 -17.888 7.479 -0.715 71 3HD1 LEU 10 3HD1 LEU 10 -19.243 7.186 -1.832 72 1HD2 LEU 10 1HD2 LEU 10 -21.270 6.345 -0.130 73 2HD2 LEU 10 2HD2 LEU 10 -20.867 4.887 -1.070 74 3HD2 LEU 10 3HD2 LEU 10 -20.868 4.828 0.709 75 H LEU 11 H LEU 11 -17.416 2.127 -2.354 76 HA LEU 11 HA LEU 11 -15.140 3.036 -3.669 77 2HB LEU 11 2HB LEU 11 -15.185 0.408 -4.280 78 HG LEU 11 HG LEU 11 -14.706 1.446 -1.473 79 1HD1 LEU 11 1HD1 LEU 11 -13.777 -1.088 -2.851 80 2HD1 LEU 11 2HD1 LEU 11 -13.199 -0.508 -1.271 81 3HD1 LEU 11 3HD1 LEU 11 -14.908 -0.961 -1.482 82 1HD2 LEU 11 1HD2 LEU 11 -12.941 2.535 -2.253 83 2HD2 LEU 11 2HD2 LEU 11 -12.278 1.005 -2.877 84 3HD2 LEU 11 3HD2 LEU 11 -13.322 2.010 -3.910 85 H ALA 12 H ALA 12 -18.343 2.067 -4.841 86 HA ALA 12 HA ALA 12 -17.404 1.925 -7.575 87 1HB ALA 12 1HB ALA 12 -19.489 0.772 -6.103 88 2HB ALA 12 2HB ALA 12 -20.298 1.955 -7.158 89 3HB ALA 12 3HB ALA 12 -19.266 0.690 -7.867 90 H LEU 13 H LEU 13 -19.648 3.948 -5.560 91 HA LEU 13 HA LEU 13 -20.233 5.783 -7.566 92 2HB LEU 13 2HB LEU 13 -20.936 7.237 -5.711 93 HG LEU 13 HG LEU 13 -21.731 4.412 -4.994 94 1HD1 LEU 13 1HD1 LEU 13 -23.693 6.624 -5.033 95 2HD1 LEU 13 2HD1 LEU 13 -23.462 5.304 -3.862 96 3HD1 LEU 13 3HD1 LEU 13 -22.415 6.742 -3.800 97 1HD2 LEU 13 1HD2 LEU 13 -22.686 6.092 -7.322 98 2HD2 LEU 13 2HD2 LEU 13 -21.946 4.474 -7.367 99 3HD2 LEU 13 3HD2 LEU 13 -23.573 4.690 -6.677 100 H ARG 14 H ARG 14 -17.852 6.083 -4.830 101 HA ARG 14 HA ARG 14 -16.697 8.328 -6.138 102 2HB ARG 14 2HB ARG 14 -15.414 8.599 -4.152 103 2HG ARG 14 2HG ARG 14 -16.936 8.252 -2.301 104 2HD ARG 14 2HD ARG 14 -19.251 8.661 -3.520 105 HE ARG 14 HE ARG 14 -17.287 10.737 -4.254 106 1HH1 ARG 14 2HH2 ARG 14 -19.292 9.360 -1.678 107 2HH1 ARG 14 1HH2 ARG 14 -19.251 10.795 -0.709 108 2HH2 ARG 14 1HH ARG 14 -18.034 12.706 -1.492 109 H GLY 15 H GLY 15 -16.587 5.137 -6.869 110 1HA GLY 15 1HA GLY 15 -15.166 3.799 -7.980 111 2HA GLY 15 2HA GLY 15 -14.315 5.250 -8.469 112 H ARG 16 H ARG 16 -12.181 4.539 -8.241 113 HA ARG 16 HA ARG 16 -11.376 3.049 -6.017 114 2HB ARG 16 2HB ARG 16 -10.045 2.811 -7.986 115 2HG ARG 16 2HG ARG 16 -10.421 5.755 -8.151 116 2HD ARG 16 2HD ARG 16 -7.720 4.498 -8.432 117 HE ARG 16 HE ARG 16 -7.709 5.009 -10.721 118 1HH1 ARG 16 2HH2 ARG 16 -9.367 7.605 -8.970 119 2HH1 ARG 16 1HH2 ARG 16 -9.470 8.642 -10.354 120 2HH2 ARG 16 1HH ARG 16 -8.569 7.898 -12.447 121 H MET 17 H MET 17 -10.701 3.731 -3.988 122 HA MET 17 HA MET 17 -9.482 6.237 -3.623 123 2HB MET 17 2HB MET 17 -12.389 5.836 -2.746 124 2HG MET 17 2HG MET 17 -10.968 6.725 -0.839 125 1HE MET 17 1HE MET 17 -10.834 10.560 -3.087 126 2HE MET 17 2HE MET 17 -10.367 9.312 -4.267 127 3HE MET 17 3HE MET 17 -11.907 9.172 -3.385 128 H GLU 18 H GLU 18 -8.691 6.515 -1.399 129 HA GLU 18 HA GLU 18 -8.059 4.064 -0.238 130 2HB GLU 18 2HB GLU 18 -6.700 6.210 -0.145 131 2HG GLU 18 2HG GLU 18 -7.829 7.130 2.366 132 HE2 GLU 18 HE GLU 18 -6.557 8.792 2.358 133 H ALA 19 H ALA 19 -8.487 3.477 2.121 134 HA ALA 19 HA ALA 19 -11.279 3.402 2.542 135 1HB ALA 19 1HB ALA 19 -10.561 2.292 4.700 136 2HB ALA 19 2HB ALA 19 -9.882 1.559 3.226 137 3HB ALA 19 3HB ALA 19 -8.875 2.624 4.235 138 H ALA 20 H ALA 20 -8.559 5.342 3.866 139 HA ALA 20 HA ALA 20 -9.675 6.479 6.041 140 1HB ALA 20 1HB ALA 20 -7.817 7.741 5.894 141 2HB ALA 20 2HB ALA 20 -7.494 6.950 4.333 142 3HB ALA 20 3HB ALA 20 -8.376 8.495 4.382 143 H GLN 21 H GLN 21 -10.401 7.166 2.593 144 HA GLN 21 HA GLN 21 -12.031 9.385 3.217 145 2HB GLN 21 2HB GLN 21 -12.828 8.536 0.696 146 2HG GLN 21 2HG GLN 21 -10.498 9.950 0.178 147 1HE2 GLN 21 1HE2 GLN 21 -12.917 9.595 -0.933 148 2HE2 GLN 21 2HE2 GLN 21 -13.836 11.063 -0.965 149 H ILE 22 H ILE 22 -12.677 5.952 2.219 150 HA ILE 22 HA ILE 22 -15.440 6.115 2.282 151 HB ILE 22 HB ILE 22 -13.544 3.819 2.757 152 2HG1 ILE 22 2HG1 ILE 22 -14.022 5.266 0.469 153 1HG2 ILE 22 1HG2 ILE 22 -15.316 2.288 2.621 154 2HG2 ILE 22 2HG2 ILE 22 -15.874 3.529 3.768 155 3HG2 ILE 22 3HG2 ILE 22 -16.473 3.533 2.092 156 1HD1 ILE 22 1HD1 ILE 22 -12.729 2.795 1.269 157 2HD1 ILE 22 2HD1 ILE 22 -13.483 2.583 -0.330 158 3HD1 ILE 22 3HD1 ILE 22 -12.306 3.893 -0.067 159 H SER 23 H SER 23 -13.091 5.220 4.892 160 HA SER 23 HA SER 23 -14.920 4.617 6.811 161 2HB SER 23 2HB SER 23 -12.388 4.383 6.913 162 HG SER 23 HG SER 23 -11.387 6.284 8.066 163 H GLN 24 H GLN 24 -13.633 7.820 5.775 164 HA GLN 24 HA GLN 24 -14.771 9.277 7.842 165 2HB GLN 24 2HB GLN 24 -14.686 10.979 5.595 166 2HG GLN 24 2HG GLN 24 -12.081 10.847 6.780 167 1HE2 GLN 24 1HE2 GLN 24 -11.604 12.879 6.518 168 2HE2 GLN 24 2HE2 GLN 24 -12.608 14.252 6.846 169 H THR 25 H THR 25 -15.973 8.375 4.556 170 HA THR 25 HA THR 25 -18.261 9.877 4.458 171 HB THR 25 HB THR 25 -17.711 7.011 3.521 172 HG1 THR 25 1HG THR 25 -16.910 8.193 1.717 173 1HG2 THR 25 1HG2 THR 25 -19.364 8.607 1.754 174 2HG2 THR 25 2HG2 THR 25 -19.758 7.045 2.510 175 3HG2 THR 25 3HG2 THR 25 -20.133 8.564 3.359 176 H LEU 26 H LEU 26 -17.775 6.714 6.127 177 HA LEU 26 HA LEU 26 -20.450 7.047 7.261 178 2HB LEU 26 2HB LEU 26 -20.508 4.932 6.547 179 HG LEU 26 HG LEU 26 -17.509 4.913 6.703 180 1HD1 LEU 26 1HD1 LEU 26 -19.227 2.653 7.323 181 2HD1 LEU 26 2HD1 LEU 26 -18.212 2.344 5.894 182 3HD1 LEU 26 3HD1 LEU 26 -17.458 2.814 7.436 183 1HD2 LEU 26 1HD2 LEU 26 -19.372 3.991 4.504 184 2HD2 LEU 26 2HD2 LEU 26 -18.753 5.653 4.651 185 3HD2 LEU 26 3HD2 LEU 26 -17.623 4.302 4.402 186 H ASN 27 H ASN 27 -17.901 8.595 7.956 187 HA ASN 27 HA ASN 27 -16.686 9.134 9.700 188 2HB ASN 27 2HB ASN 27 -19.027 8.621 11.540 189 1HD2 ASN 27 1HD2 ASN 27 -19.649 11.038 12.248 190 2HD2 ASN 27 2HD2 ASN 27 -18.305 11.971 12.817 191 H THR 28 H THR 28 -16.710 6.206 9.107 192 HA THR 28 HA THR 28 -16.798 4.897 11.687 193 HB THR 28 HB THR 28 -17.195 4.164 8.991 194 HG1 THR 28 1HG THR 28 -18.152 3.105 10.800 195 1HG2 THR 28 1HG2 THR 28 -15.589 2.217 8.803 196 2HG2 THR 28 2HG2 THR 28 -14.778 3.792 8.625 197 3HG2 THR 28 3HG2 THR 28 -14.661 2.899 10.161 198 HA PRO 29 HA PRO 29 -12.614 5.117 12.607 199 2HB PRO 29 2HB PRO 29 -12.891 4.017 14.611 200 2HG PRO 29 2HG PRO 29 -14.725 2.621 14.698 201 2HD PRO 29 2HD PRO 29 -16.048 3.586 13.085 202 H GLN 30 H GLN 30 -10.624 5.058 11.694 203 HA GLN 30 HA GLN 30 -10.381 4.050 9.222 204 2HB GLN 30 2HB GLN 30 -7.859 3.864 10.757 205 2HG GLN 30 2HG GLN 30 -7.352 5.823 9.142 206 1HE2 GLN 30 1HE2 GLN 30 -9.095 4.203 6.839 207 2HE2 GLN 30 2HE2 GLN 30 -7.980 2.950 6.405 208 HA PRO 31 HA PRO 31 -8.676 0.006 11.029 209 2HB PRO 31 2HB PRO 31 -7.433 0.165 12.960 210 2HG PRO 31 2HG PRO 31 -7.827 2.065 14.206 211 2HD PRO 31 2HD PRO 31 -8.620 3.470 12.568 212 H MET 32 H MET 32 -11.041 0.410 9.920 213 HA MET 32 HA MET 32 -12.523 -1.730 11.179 214 2HB MET 32 2HB MET 32 -14.012 0.734 10.190 215 2HG MET 32 2HG MET 32 -15.319 -0.188 12.415 216 1HE MET 32 1HE MET 32 -17.167 -2.819 11.121 217 2HE MET 32 2HE MET 32 -16.810 -2.954 9.382 218 3HE MET 32 3HE MET 32 -15.501 -3.126 10.576 219 H ILE 33 H ILE 33 -12.301 0.623 8.430 220 HA ILE 33 HA ILE 33 -13.739 -1.108 6.676 221 HB ILE 33 HB ILE 33 -12.084 1.363 6.151 222 2HG1 ILE 33 2HG1 ILE 33 -14.121 2.602 6.221 223 1HG2 ILE 33 1HG2 ILE 33 -13.351 1.479 4.026 224 2HG2 ILE 33 2HG2 ILE 33 -12.278 0.062 4.127 225 3HG2 ILE 33 3HG2 ILE 33 -14.030 -0.129 4.372 226 1HD1 ILE 33 1HD1 ILE 33 -15.976 1.480 5.495 227 2HD1 ILE 33 2HD1 ILE 33 -15.338 -0.098 6.017 228 3HD1 ILE 33 3HD1 ILE 33 -16.128 0.977 7.195 229 H ASN 34 H ASN 34 -10.307 -0.398 7.433 230 HA ASN 34 HA ASN 34 -9.146 -1.601 5.291 231 2HB ASN 34 2HB ASN 34 -7.263 -2.158 7.027 232 1HD2 ASN 34 1HD2 ASN 34 -7.484 0.458 8.711 233 2HD2 ASN 34 2HD2 ASN 34 -7.016 1.707 7.605 234 H ALA 35 H ALA 35 -10.384 -2.987 8.396 235 HA ALA 35 HA ALA 35 -9.433 -5.578 8.074 236 1HB ALA 35 1HB ALA 35 -11.432 -6.095 9.614 237 2HB ALA 35 2HB ALA 35 -10.245 -4.905 10.202 238 3HB ALA 35 3HB ALA 35 -11.798 -4.355 9.527 239 H MET 36 H MET 36 -12.524 -4.016 7.019 240 HA MET 36 HA MET 36 -13.610 -6.347 5.969 241 2HB MET 36 2HB MET 36 -15.249 -4.838 4.978 242 2HG MET 36 2HG MET 36 -14.681 -2.846 7.009 243 1HE MET 36 1HE MET 36 -15.816 -6.278 8.019 244 2HE MET 36 2HE MET 36 -16.270 -5.108 9.281 245 3HE MET 36 3HE MET 36 -17.532 -6.004 8.402 246 H LEU 37 H LEU 37 -11.674 -3.684 4.465 247 HA LEU 37 HA LEU 37 -11.847 -4.522 1.844 248 2HB LEU 37 2HB LEU 37 -9.557 -3.370 1.685 249 HG LEU 37 HG LEU 37 -12.023 -1.978 2.719 250 1HD1 LEU 37 1HD1 LEU 37 -10.801 0.174 2.067 251 2HD1 LEU 37 2HD1 LEU 37 -10.372 -0.579 3.622 252 3HD1 LEU 37 3HD1 LEU 37 -9.303 -0.776 2.213 253 1HD2 LEU 37 1HD2 LEU 37 -10.932 -2.700 0.121 254 2HD2 LEU 37 2HD2 LEU 37 -12.566 -2.153 0.569 255 3HD2 LEU 37 3HD2 LEU 37 -11.288 -0.960 0.237 256 H GLN 38 H GLN 38 -9.734 -5.642 4.524 257 HA GLN 38 HA GLN 38 -8.061 -7.182 2.943 258 2HB GLN 38 2HB GLN 38 -8.591 -8.275 5.636 259 2HG GLN 38 2HG GLN 38 -6.074 -6.870 5.300 260 1HE2 GLN 38 1HE2 GLN 38 -4.385 -8.819 4.805 261 2HE2 GLN 38 2HE2 GLN 38 -4.594 -10.186 5.847 262 H GLN 39 H GLN 39 -11.163 -7.942 4.636 263 HA GLN 39 HA GLN 39 -11.139 -10.649 4.083 264 2HB GLN 39 2HB GLN 39 -13.805 -9.336 4.103 265 2HG GLN 39 2HG GLN 39 -12.338 -11.466 5.707 266 1HE2 GLN 39 1HE2 GLN 39 -12.673 -10.157 7.643 267 2HE2 GLN 39 2HE2 GLN 39 -14.201 -10.208 8.457 268 H LEU 40 H LEU 40 -12.707 -7.891 2.310 269 HA LEU 40 HA LEU 40 -13.823 -9.413 0.284 270 2HB LEU 40 2HB LEU 40 -13.916 -7.314 -0.960 271 HG LEU 40 HG LEU 40 -14.467 -6.921 1.993 272 1HD1 LEU 40 1HD1 LEU 40 -16.032 -5.319 0.110 273 2HD1 LEU 40 2HD1 LEU 40 -15.218 -4.852 1.623 274 3HD1 LEU 40 3HD1 LEU 40 -14.296 -4.923 0.102 275 1HD2 LEU 40 1HD2 LEU 40 -16.094 -7.999 -0.298 276 2HD2 LEU 40 2HD2 LEU 40 -15.837 -8.677 1.328 277 3HD2 LEU 40 3HD2 LEU 40 -16.876 -7.248 1.114 278 H GLU 41 H GLU 41 -10.551 -7.913 0.584 279 HA GLU 41 HA GLU 41 -9.692 -8.490 -1.951 280 2HB GLU 41 2HB GLU 41 -8.115 -8.395 0.658 281 2HG GLU 41 2HG GLU 41 -6.741 -7.526 -1.782 282 HE2 GLU 41 HE GLU 41 -4.966 -9.491 -1.805 283 H SER 42 H SER 42 -9.442 -10.476 1.074 284 HA SER 42 HA SER 42 -8.018 -12.547 0.027 285 2HB SER 42 2HB SER 42 -10.274 -13.070 1.972 286 HG SER 42 HG SER 42 -8.996 -14.693 2.520 287 H MET 43 H MET 43 -11.607 -12.032 0.098 288 HA MET 43 HA MET 43 -12.248 -14.455 -1.081 289 2HB MET 43 2HB MET 43 -14.389 -13.050 -1.743 290 2HG MET 43 2HG MET 43 -13.950 -12.655 1.179 291 1HE MET 43 1HE MET 43 -15.941 -12.528 2.390 292 2HE MET 43 2HE MET 43 -17.438 -13.453 2.126 293 3HE MET 43 3HE MET 43 -15.943 -14.295 2.597 294 H GLY 44 H GLY 44 -11.852 -11.145 -2.526 295 1HA GLY 44 1HA GLY 44 -10.623 -11.011 -4.608 296 2HA GLY 44 2HA GLY 44 -11.439 -12.468 -5.139 297 H LYS 45 H LYS 45 -12.721 -9.519 -3.450 298 HA LYS 45 HA LYS 45 -14.681 -9.310 -5.615 299 2HB LYS 45 2HB LYS 45 -16.175 -8.399 -4.088 300 2HG LYS 45 2HG LYS 45 -15.957 -9.782 -1.964 301 2HD LYS 45 2HD LYS 45 -15.241 -11.681 -4.161 302 2HE LYS 45 2HE LYS 45 -17.956 -11.602 -2.927 303 1HZ LYS 45 1HZ LYS 45 -17.684 -13.870 -3.075 304 2HZ LYS 45 2HZ LYS 45 -16.642 -13.449 -4.253 305 H ALA 46 H ALA 46 -12.728 -7.177 -3.407 306 HA ALA 46 HA ALA 46 -12.798 -5.136 -5.484 307 1HB ALA 46 1HB ALA 46 -13.257 -4.068 -3.505 308 2HB ALA 46 2HB ALA 46 -12.347 -5.248 -2.531 309 3HB ALA 46 3HB ALA 46 -11.480 -3.982 -3.434 310 H VAL 47 H VAL 47 -10.565 -3.838 -5.578 311 HA VAL 47 HA VAL 47 -8.382 -5.793 -5.646 312 HB VAL 47 HB VAL 47 -7.674 -4.805 -7.804 313 1HG1 VAL 47 1HG1 VAL 47 -8.958 -6.937 -7.654 314 2HG1 VAL 47 2HG1 VAL 47 -10.458 -6.013 -7.909 315 3HG1 VAL 47 3HG1 VAL 47 -9.215 -6.062 -9.182 316 1HG2 VAL 47 1HG2 VAL 47 -10.359 -3.404 -7.629 317 2HG2 VAL 47 2HG2 VAL 47 -8.747 -2.664 -7.777 318 3HG2 VAL 47 3HG2 VAL 47 -9.432 -3.585 -9.138 319 H ARG 48 H ARG 48 -6.222 -4.777 -5.562 320 HA ARG 48 HA ARG 48 -6.367 -2.478 -3.867 321 2HB ARG 48 2HB ARG 48 -3.842 -3.915 -4.803 322 2HG ARG 48 2HG ARG 48 -4.419 -1.785 -2.931 323 2HD ARG 48 2HD ARG 48 -3.819 -4.468 -1.735 324 HE ARG 48 HE ARG 48 -2.038 -2.194 -1.308 325 1HH1 ARG 48 2HH2 ARG 48 -3.519 -5.002 0.266 326 2HH1 ARG 48 1HH2 ARG 48 -2.289 -5.128 1.479 327 2HH2 ARG 48 1HH ARG 48 -0.473 -3.564 1.474 328 H ILE 49 H ILE 49 -5.550 -0.397 -4.373 329 HA ILE 49 HA ILE 49 -4.630 -0.087 -7.147 330 HB ILE 49 HB ILE 49 -6.352 1.725 -5.457 331 2HG1 ILE 49 2HG1 ILE 49 -8.088 1.295 -7.017 332 1HG2 ILE 49 1HG2 ILE 49 -5.214 3.349 -6.554 333 2HG2 ILE 49 2HG2 ILE 49 -4.711 2.267 -7.875 334 3HG2 ILE 49 3HG2 ILE 49 -6.363 2.931 -7.848 335 1HD1 ILE 49 1HD1 ILE 49 -7.639 0.832 -9.183 336 2HD1 ILE 49 2HD1 ILE 49 -5.909 0.666 -8.799 337 3HD1 ILE 49 3HD1 ILE 49 -6.984 -0.750 -8.698 338 H GLN 50 H GLN 50 -2.957 1.487 -7.534 339 HA GLN 50 HA GLN 50 -1.484 2.079 -5.085 340 2HB GLN 50 2HB GLN 50 -0.486 1.381 -7.875 341 2HG GLN 50 2HG GLN 50 0.880 2.750 -5.559 342 1HE2 GLN 50 1HE2 GLN 50 2.924 2.340 -8.073 343 2HE2 GLN 50 2HE2 GLN 50 3.894 1.016 -7.521 344 H GLU 51 H GLU 51 -0.343 4.145 -4.986 345 HA GLU 51 HA GLU 51 -1.608 6.086 -6.745 346 2HB GLU 51 2HB GLU 51 -0.394 7.523 -4.686 347 2HG GLU 51 2HG GLU 51 -3.041 6.755 -3.851 348 HE2 GLU 51 HE GLU 51 -2.059 10.240 -5.600 349 H GLU 52 H GLU 52 -0.156 8.136 -7.133 350 HA GLU 52 HA GLU 52 1.870 7.523 -8.731 351 2HB GLU 52 2HB GLU 52 2.799 9.890 -8.031 352 2HG GLU 52 2HG GLU 52 -0.088 10.126 -8.769 353 HE2 GLU 52 HE GLU 52 1.535 10.154 -11.419 354 HA PRO 53 HA PRO 53 5.200 6.210 -6.272 355 2HB PRO 53 2HB PRO 53 6.218 5.190 -8.068 356 2HG PRO 53 2HG PRO 53 5.570 5.998 -10.129 357 2HD PRO 53 2HD PRO 53 3.503 6.854 -9.600 358 H ASP 54 H ASP 54 7.857 7.031 -6.188 359 HA ASP 54 HA ASP 54 7.456 9.766 -5.260 360 2HB ASP 54 2HB ASP 54 7.709 8.607 -3.233 361 HD2 ASP 54 HD ASP 54 10.166 7.107 -2.334 362 H GLY 55 H GLY 55 9.686 10.960 -5.109 363 1HA GLY 55 1HA GLY 55 11.810 9.847 -6.748 364 2HA GLY 55 2HA GLY 55 10.965 11.217 -7.440 365 H CYS 56 H CYS 56 13.564 11.697 -7.026 366 HA CYS 56 HA CYS 56 13.528 13.793 -5.155 367 2HB CYS 56 2HB CYS 56 13.835 12.267 -3.389 368 HG CYS 56 HG CYS 56 15.818 10.869 -5.616 369 H LEU 57 H LEU 57 15.775 14.890 -5.162 370 HA LEU 57 HA LEU 57 17.037 14.332 -7.750 371 2HB LEU 57 2HB LEU 57 17.913 16.755 -7.275 372 HG LEU 57 HG LEU 57 15.985 17.803 -8.321 373 1HD1 LEU 57 1HD1 LEU 57 17.613 16.075 -9.506 374 2HD1 LEU 57 2HD1 LEU 57 16.093 15.179 -9.737 375 3HD1 LEU 57 3HD1 LEU 57 16.254 16.835 -10.368 376 1HD2 LEU 57 1HD2 LEU 57 14.457 15.213 -8.208 377 2HD2 LEU 57 2HD2 LEU 57 14.335 16.412 -6.898 378 3HD2 LEU 57 3HD2 LEU 57 13.875 16.858 -8.559 379 H SER 58 H SER 58 19.432 14.692 -7.856 380 HA SER 58 HA SER 58 20.956 14.876 -5.567 381 2HB SER 58 2HB SER 58 21.629 12.181 -6.170 382 HG SER 58 HG SER 58 20.360 12.003 -3.947 383 H GLY 59 H GLY 59 22.999 15.465 -6.271 384 1HA GLY 59 1HA GLY 59 23.544 15.584 -9.046 385 2HA GLY 59 2HA GLY 59 24.635 15.973 -7.731 386 H SER 60 H SER 60 26.425 14.703 -7.526 387 HA SER 60 HA SER 60 26.316 12.131 -8.869 388 2HB SER 60 2HB SER 60 28.974 12.785 -7.981 389 HG SER 60 HG SER 60 29.210 13.097 -10.395 390 H CYS 61 H CYS 61 25.349 10.808 -7.258 391 HA CYS 61 HA CYS 61 27.044 9.743 -5.355 392 2HB CYS 61 2HB CYS 61 25.258 10.710 -3.444 393 HG CYS 61 HG CYS 61 27.546 12.551 -3.058 394 H LYS 62 H LYS 62 25.856 8.025 -4.081 395 HA LYS 62 HA LYS 62 23.179 7.521 -5.164 396 2HB LYS 62 2HB LYS 62 25.117 5.259 -4.775 397 2HG LYS 62 2HG LYS 62 23.035 5.576 -6.945 398 2HD LYS 62 2HD LYS 62 24.751 3.491 -5.943 399 2HE LYS 62 2HE LYS 62 21.961 3.308 -5.009 400 1HZ LYS 62 1HZ LYS 62 22.881 0.793 -6.147 401 2HZ LYS 62 2HZ LYS 62 21.360 1.355 -5.993 402 H SER 63 H SER 63 21.682 6.847 -3.667 403 HA SER 63 HA SER 63 22.400 5.551 -1.314 404 2HB SER 63 2HB SER 63 21.343 7.839 -0.069 405 HG SER 63 HG SER 63 23.662 8.088 0.636 406 H CYS 64 H CYS 64 20.591 4.330 -0.918 407 HA CYS 64 HA CYS 64 18.025 5.530 -1.669 408 2HB CYS 64 2HB CYS 64 17.510 2.848 -1.651 409 HG CYS 64 HG CYS 64 16.742 3.125 -3.886 410 HA PRO 65 HA PRO 65 16.776 4.762 2.433 411 2HB PRO 65 2HB PRO 65 14.710 5.727 2.115 412 2HG PRO 65 2HG PRO 65 13.955 5.690 -0.064 413 2HD PRO 65 2HD PRO 65 15.955 5.533 -1.186 414 H GLU 66 H GLU 66 14.951 3.048 3.653 415 HA GLU 66 HA GLU 66 16.270 0.516 3.047 416 2HB GLU 66 2HB GLU 66 17.072 1.429 5.190 417 2HG GLU 66 2HG GLU 66 14.272 2.143 5.496 418 HE2 GLU 66 HE GLU 66 13.182 1.350 8.299 419 H GLY 67 H GLY 67 14.184 0.725 1.521 420 1HA GLY 67 1HA GLY 67 12.311 -0.466 1.020 421 2HA GLY 67 2HA GLY 67 12.221 -1.045 2.672 422 H LYS 68 H LYS 68 11.633 0.724 4.385 423 HA LYS 68 HA LYS 68 10.119 2.126 5.168 424 2HB LYS 68 2HB LYS 68 9.569 4.148 3.669 425 2HG LYS 68 2HG LYS 68 12.470 4.223 3.733 426 2HD LYS 68 2HD LYS 68 10.745 6.069 4.236 427 2HE LYS 68 2HE LYS 68 10.810 4.885 7.039 428 1HZ LYS 68 1HZ LYS 68 10.216 7.166 7.004 429 2HZ LYS 68 2HZ LYS 68 9.273 7.024 5.684 430 H ALA 69 H ALA 69 7.790 2.972 4.872 431 HA ALA 69 HA ALA 69 6.178 0.834 4.150 432 1HB ALA 69 1HB ALA 69 4.809 3.403 4.027 433 2HB ALA 69 2HB ALA 69 4.662 2.099 5.229 434 3HB ALA 69 3HB ALA 69 5.927 3.338 5.410 435 H CYS 70 H CYS 70 4.356 0.953 2.465 436 HA CYS 70 HA CYS 70 5.614 1.656 -0.051 437 2HB CYS 70 2HB CYS 70 3.567 0.375 -0.971 438 HG CYS 70 HG CYS 70 5.199 -1.561 1.067 439 H LEU 71 H LEU 71 4.087 2.666 -1.762 440 HA LEU 71 HA LEU 71 3.191 5.117 -0.881 441 2HB LEU 71 2HB LEU 71 1.859 4.937 -3.151 442 HG LEU 71 HG LEU 71 3.843 5.395 -4.474 443 1HD1 LEU 71 1HD1 LEU 71 4.569 6.781 -1.950 444 2HD1 LEU 71 2HD1 LEU 71 4.235 7.433 -3.573 445 3HD1 LEU 71 3HD1 LEU 71 2.888 6.956 -2.511 446 1HD2 LEU 71 1HD2 LEU 71 6.100 5.353 -3.217 447 2HD2 LEU 71 2HD2 LEU 71 5.298 4.196 -2.127 448 3HD2 LEU 71 3HD2 LEU 71 5.449 3.827 -3.862 449 H ARG 72 H ARG 72 0.921 6.000 -0.961 450 HA ARG 72 HA ARG 72 -0.639 4.546 0.806 451 2HB ARG 72 2HB ARG 72 -2.373 6.410 -0.383 452 2HG ARG 72 2HG ARG 72 -0.651 7.748 1.524 453 2HD ARG 72 2HD ARG 72 -3.422 6.483 1.601 454 HE ARG 72 HE ARG 72 -3.067 6.552 3.923 455 1HH1 ARG 72 2HH2 ARG 72 -1.742 9.491 2.453 456 2HH1 ARG 72 1HH2 ARG 72 -1.449 10.268 3.973 457 2HH2 ARG 72 1HH ARG 72 -2.009 9.125 6.003 458 H GLU 73 H GLU 73 -1.091 2.452 -0.118 459 HA GLU 73 HA GLU 73 -2.096 2.133 -2.683 460 2HB GLU 73 2HB GLU 73 -2.686 -0.158 -1.925 461 2HG GLU 73 2HG GLU 73 -0.408 -0.715 -0.830 462 HE2 GLU 73 HE GLU 73 -0.402 -1.819 -2.922 463 H TRP 74 H TRP 74 -4.152 2.255 -3.553 464 HA TRP 74 HA TRP 74 -6.247 3.120 -1.704 465 2HB TRP 74 2HB TRP 74 -7.384 3.682 -3.955 466 HD1 TRP 74 HD TRP 74 -5.531 4.995 -1.237 467 HE1 TRP 74 1HE TRP 74 -5.033 7.585 -1.314 468 HE3 TRP 74 3HE TRP 74 -6.479 5.563 -6.200 469 HZ2 TRP 74 2HZ TRP 74 -5.091 9.537 -3.395 470 HZ3 TRP 74 3HZ TRP 74 -6.235 7.844 -7.176 471 HH2 TRP 74 HH TRP 74 -5.567 9.791 -5.858 472 H TRP 75 H TRP 75 -8.546 2.298 -2.497 473 HA TRP 75 HA TRP 75 -8.287 -0.533 -3.245 474 2HB TRP 75 2HB TRP 75 -10.228 -0.941 -1.701 475 HD1 TRP 75 HD TRP 75 -7.899 1.024 0.608 476 HE1 TRP 75 1HE TRP 75 -6.233 -0.566 1.897 477 HE3 TRP 75 3HE TRP 75 -9.021 -3.169 -2.042 478 HZ2 TRP 75 2HZ TRP 75 -5.587 -3.336 1.669 479 HZ3 TRP 75 3HZ TRP 75 -7.827 -5.274 -1.444 480 HH2 TRP 75 HH TRP 75 -6.162 -5.400 0.340 481 H ALA 76 H ALA 76 -10.098 -1.347 -4.503 482 HA ALA 76 HA ALA 76 -12.169 0.505 -5.250 483 1HB ALA 76 1HB ALA 76 -11.098 1.330 -7.051 484 2HB ALA 76 2HB ALA 76 -9.745 0.192 -6.847 485 3HB ALA 76 3HB ALA 76 -11.194 -0.301 -7.756 486 H LEU 77 H LEU 77 -13.442 -0.711 -7.225 487 HA LEU 77 HA LEU 77 -13.896 -3.377 -6.145 488 2HB LEU 77 2HB LEU 77 -16.020 -3.276 -7.203 489 HG LEU 77 HG LEU 77 -15.404 -0.538 -6.060 490 1HD1 LEU 77 1HD1 LEU 77 -17.964 -1.774 -7.020 491 2HD1 LEU 77 2HD1 LEU 77 -17.982 -0.643 -5.646 492 3HD1 LEU 77 3HD1 LEU 77 -17.349 -0.116 -7.224 493 1HD2 LEU 77 1HD2 LEU 77 -16.274 -1.351 -3.989 494 2HD2 LEU 77 2HD2 LEU 77 -16.769 -2.891 -4.732 495 3HD2 LEU 77 3HD2 LEU 77 -15.041 -2.505 -4.551 496 H ARG 78 H ARG 78 -14.366 -5.167 -7.751 497 HA ARG 78 HA ARG 78 -12.251 -5.089 -9.692 498 2HB ARG 78 2HB ARG 78 -14.076 -7.327 -8.688 499 2HG ARG 78 2HG ARG 78 -13.294 -7.588 -11.128 500 2HD ARG 78 2HD ARG 78 -10.586 -8.227 -9.935 501 HE ARG 78 HE ARG 78 -11.615 -8.519 -12.479 502 1HH1 ARG 78 2HH2 ARG 78 -9.034 -6.492 -11.143 503 2HH1 ARG 78 1HH2 ARG 78 -8.127 -6.460 -12.617 504 2HH2 ARG 78 1HH ARG 78 -8.959 -7.634 -14.534 Start of MODEL 2 1 1H MET 1 H MET 1 -19.464 1.227 13.984 2 HA MET 1 HA MET 1 -18.883 -0.769 12.040 3 2HB MET 1 2HB MET 1 -21.201 -1.279 13.797 4 2HG MET 1 2HG MET 1 -19.002 -2.760 14.716 5 1HE MET 1 1HE MET 1 -18.684 -4.316 12.070 6 2HE MET 1 2HE MET 1 -19.579 -5.776 12.560 7 3HE MET 1 3HE MET 1 -20.169 -4.782 11.206 8 H ALA 2 H ALA 2 -19.671 0.035 10.023 9 HA ALA 2 HA ALA 2 -22.591 0.371 9.923 10 1HB ALA 2 1HB ALA 2 -22.149 2.256 8.786 11 2HB ALA 2 2HB ALA 2 -20.401 1.944 8.919 12 3HB ALA 2 3HB ALA 2 -21.318 1.297 7.538 13 H SER 3 H SER 3 -22.975 0.003 7.182 14 HA SER 3 HA SER 3 -22.551 -2.841 7.058 15 2HB SER 3 2HB SER 3 -24.785 -2.280 6.552 16 HG SER 3 HG SER 3 -23.953 -0.330 4.597 17 H LEU 4 H LEU 4 -21.869 -3.840 4.909 18 HA LEU 4 HA LEU 4 -19.493 -2.541 4.016 19 2HB LEU 4 2HB LEU 4 -20.071 -4.727 2.355 20 HG LEU 4 HG LEU 4 -18.408 -4.527 4.874 21 1HD1 LEU 4 1HD1 LEU 4 -19.173 -6.845 4.597 22 2HD1 LEU 4 2HD1 LEU 4 -18.535 -6.855 2.936 23 3HD1 LEU 4 3HD1 LEU 4 -17.423 -6.680 4.315 24 1HD2 LEU 4 1HD2 LEU 4 -18.003 -3.764 2.133 25 2HD2 LEU 4 2HD2 LEU 4 -16.936 -3.543 3.540 26 3HD2 LEU 4 3HD2 LEU 4 -16.843 -5.039 2.580 27 H ILE 5 H ILE 5 -22.828 -3.002 2.816 28 HA ILE 5 HA ILE 5 -22.524 -2.392 0.183 29 HB ILE 5 HB ILE 5 -24.751 -1.374 1.944 30 2HG1 ILE 5 2HG1 ILE 5 -25.793 -3.649 1.279 31 1HG2 ILE 5 1HG2 ILE 5 -25.323 -2.470 -0.729 32 2HG2 ILE 5 2HG2 ILE 5 -25.941 -1.010 0.079 33 3HG2 ILE 5 3HG2 ILE 5 -24.354 -0.977 -0.725 34 1HD1 ILE 5 1HD1 ILE 5 -23.578 -4.089 -0.154 35 2HD1 ILE 5 2HD1 ILE 5 -22.949 -4.632 1.421 36 3HD1 ILE 5 3HD1 ILE 5 -24.384 -5.417 0.716 37 H GLN 6 H GLN 6 -22.464 -0.193 3.017 38 HA GLN 6 HA GLN 6 -22.608 2.171 1.619 39 2HB GLN 6 2HB GLN 6 -20.993 2.809 3.758 40 2HG GLN 6 2HG GLN 6 -23.833 2.137 4.431 41 1HE2 GLN 6 1HE2 GLN 6 -21.781 4.895 3.485 42 2HE2 GLN 6 2HE2 GLN 6 -21.906 5.780 4.969 43 H VAL 7 H VAL 7 -19.706 0.251 2.655 44 HA VAL 7 HA VAL 7 -17.869 2.021 1.443 45 HB VAL 7 HB VAL 7 -17.599 -0.882 2.249 46 1HG1 VAL 7 1HG1 VAL 7 -15.707 -0.546 0.975 47 2HG1 VAL 7 2HG1 VAL 7 -15.633 1.194 1.341 48 3HG1 VAL 7 3HG1 VAL 7 -15.134 0.006 2.568 49 1HG2 VAL 7 1HG2 VAL 7 -18.343 0.921 3.988 50 2HG2 VAL 7 2HG2 VAL 7 -17.028 -0.206 4.397 51 3HG2 VAL 7 3HG2 VAL 7 -16.648 1.457 3.888 52 H ARG 8 H ARG 8 -19.363 -1.125 0.451 53 HA ARG 8 HA ARG 8 -17.989 -1.440 -1.870 54 2HB ARG 8 2HB ARG 8 -20.223 -2.615 -2.633 55 2HG ARG 8 2HG ARG 8 -19.269 -3.580 0.071 56 2HD ARG 8 2HD ARG 8 -19.185 -5.309 -2.347 57 HE ARG 8 HE ARG 8 -19.520 -5.650 0.449 58 1HH1 ARG 8 2HH2 ARG 8 -20.950 -6.902 -2.541 59 2HH1 ARG 8 1HH2 ARG 8 -21.390 -8.423 -1.841 60 2HH2 ARG 8 1HH ARG 8 -20.880 -8.846 0.463 61 H ASP 9 H ASP 9 -21.014 0.432 -1.214 62 HA ASP 9 HA ASP 9 -21.518 1.090 -3.857 63 2HB ASP 9 2HB ASP 9 -22.148 2.856 -1.456 64 HD2 ASP 9 HD ASP 9 -24.903 4.097 -3.213 65 H LEU 10 H LEU 10 -19.870 2.869 -1.140 66 HA LEU 10 HA LEU 10 -19.238 5.164 -2.562 67 2HB LEU 10 2HB LEU 10 -17.240 5.035 -0.771 68 HG LEU 10 HG LEU 10 -18.718 5.956 0.963 69 1HD1 LEU 10 1HD1 LEU 10 -19.596 7.891 -0.351 70 2HD1 LEU 10 2HD1 LEU 10 -17.894 7.488 -0.681 71 3HD1 LEU 10 3HD1 LEU 10 -19.160 7.014 -1.839 72 1HD2 LEU 10 1HD2 LEU 10 -21.198 6.293 -0.082 73 2HD2 LEU 10 2HD2 LEU 10 -20.803 4.664 -0.685 74 3HD2 LEU 10 3HD2 LEU 10 -20.753 5.003 1.062 75 H LEU 11 H LEU 11 -17.494 2.028 -2.216 76 HA LEU 11 HA LEU 11 -15.159 2.785 -3.496 77 2HB LEU 11 2HB LEU 11 -15.411 0.166 -4.158 78 HG LEU 11 HG LEU 11 -14.728 1.275 -1.423 79 1HD1 LEU 11 1HD1 LEU 11 -15.462 -1.179 -1.495 80 2HD1 LEU 11 2HD1 LEU 11 -13.965 -1.469 -2.415 81 3HD1 LEU 11 3HD1 LEU 11 -13.882 -0.807 -0.766 82 1HD2 LEU 11 1HD2 LEU 11 -13.390 1.736 -3.699 83 2HD2 LEU 11 2HD2 LEU 11 -12.589 1.537 -2.121 84 3HD2 LEU 11 3HD2 LEU 11 -12.668 0.170 -3.259 85 H ALA 12 H ALA 12 -18.387 1.994 -4.756 86 HA ALA 12 HA ALA 12 -17.396 1.869 -7.470 87 1HB ALA 12 1HB ALA 12 -19.934 1.316 -6.004 88 2HB ALA 12 2HB ALA 12 -20.096 1.858 -7.692 89 3HB ALA 12 3HB ALA 12 -19.145 0.403 -7.313 90 H LEU 13 H LEU 13 -19.687 3.932 -5.538 91 HA LEU 13 HA LEU 13 -20.111 5.834 -7.485 92 2HB LEU 13 2HB LEU 13 -20.764 7.297 -5.627 93 HG LEU 13 HG LEU 13 -21.656 4.491 -4.934 94 1HD1 LEU 13 1HD1 LEU 13 -23.085 5.473 -3.553 95 2HD1 LEU 13 2HD1 LEU 13 -22.305 7.034 -3.897 96 3HD1 LEU 13 3HD1 LEU 13 -23.704 6.507 -4.862 97 1HD2 LEU 13 1HD2 LEU 13 -21.844 4.731 -7.345 98 2HD2 LEU 13 2HD2 LEU 13 -23.454 4.760 -6.589 99 3HD2 LEU 13 3HD2 LEU 13 -22.705 6.275 -7.149 100 H ARG 14 H ARG 14 -17.723 5.978 -4.744 101 HA ARG 14 HA ARG 14 -16.457 8.182 -6.020 102 2HB ARG 14 2HB ARG 14 -15.170 8.369 -4.027 103 2HG ARG 14 2HG ARG 14 -16.711 8.067 -2.183 104 2HD ARG 14 2HD ARG 14 -19.005 8.589 -3.409 105 HE ARG 14 HE ARG 14 -16.859 10.225 -2.714 106 1HH1 ARG 14 2HH2 ARG 14 -19.288 10.272 -5.292 107 2HH1 ARG 14 1HH2 ARG 14 -19.278 11.997 -5.440 108 2HH2 ARG 14 1HH ARG 14 -17.832 13.289 -4.030 109 H GLY 15 H GLY 15 -16.504 5.000 -6.793 110 1HA GLY 15 1HA GLY 15 -15.136 3.583 -7.873 111 2HA GLY 15 2HA GLY 15 -14.261 5.002 -8.412 112 H ARG 16 H ARG 16 -12.138 4.256 -8.220 113 HA ARG 16 HA ARG 16 -11.309 2.772 -6.005 114 2HB ARG 16 2HB ARG 16 -10.064 2.547 -8.059 115 2HG ARG 16 2HG ARG 16 -10.289 5.499 -8.077 116 2HD ARG 16 2HD ARG 16 -7.623 4.239 -8.179 117 HE ARG 16 HE ARG 16 -7.337 4.521 -10.477 118 1HH1 ARG 16 2HH2 ARG 16 -9.443 7.114 -9.296 119 2HH1 ARG 16 1HH2 ARG 16 -9.509 7.926 -10.825 120 2HH2 ARG 16 1HH ARG 16 -8.315 7.012 -12.691 121 H MET 17 H MET 17 -10.818 3.500 -3.956 122 HA MET 17 HA MET 17 -9.573 6.067 -3.680 123 2HB MET 17 2HB MET 17 -11.310 6.764 -1.927 124 2HG MET 17 2HG MET 17 -13.094 7.381 -3.582 125 1HE MET 17 1HE MET 17 -11.361 9.075 -2.217 126 2HE MET 17 2HE MET 17 -10.735 10.315 -3.330 127 3HE MET 17 3HE MET 17 -12.445 9.830 -3.410 128 H GLU 18 H GLU 18 -9.291 6.469 -1.098 129 HA GLU 18 HA GLU 18 -8.141 3.987 -0.185 130 2HB GLU 18 2HB GLU 18 -7.901 6.762 1.050 131 2HG GLU 18 2HG GLU 18 -7.164 4.960 2.547 132 HE2 GLU 18 HE GLU 18 -4.601 4.832 0.342 133 H ALA 19 H ALA 19 -8.343 3.444 2.224 134 HA ALA 19 HA ALA 19 -11.070 3.225 2.872 135 1HB ALA 19 1HB ALA 19 -9.725 1.488 3.661 136 2HB ALA 19 2HB ALA 19 -8.439 2.591 4.205 137 3HB ALA 19 3HB ALA 19 -9.953 2.464 5.132 138 H ALA 20 H ALA 20 -8.388 5.348 4.030 139 HA ALA 20 HA ALA 20 -9.533 6.540 6.163 140 1HB ALA 20 1HB ALA 20 -7.254 6.912 4.963 141 2HB ALA 20 2HB ALA 20 -8.118 8.162 4.036 142 3HB ALA 20 3HB ALA 20 -7.999 8.291 5.808 143 H GLN 21 H GLN 21 -10.239 7.123 2.683 144 HA GLN 21 HA GLN 21 -11.963 9.285 3.246 145 2HB GLN 21 2HB GLN 21 -12.695 8.420 0.732 146 2HG GLN 21 2HG GLN 21 -10.354 9.807 0.215 147 1HE2 GLN 21 1HE2 GLN 21 -13.305 10.434 2.115 148 2HE2 GLN 21 2HE2 GLN 21 -14.022 11.581 1.032 149 H ILE 22 H ILE 22 -12.462 5.816 2.293 150 HA ILE 22 HA ILE 22 -15.219 5.853 2.279 151 HB ILE 22 HB ILE 22 -13.284 3.643 2.975 152 2HG1 ILE 22 2HG1 ILE 22 -13.330 4.928 0.657 153 1HG2 ILE 22 1HG2 ILE 22 -16.012 3.066 1.921 154 2HG2 ILE 22 2HG2 ILE 22 -14.959 2.102 2.985 155 3HG2 ILE 22 3HG2 ILE 22 -15.855 3.494 3.642 156 1HD1 ILE 22 1HD1 ILE 22 -12.774 2.721 -0.458 157 2HD1 ILE 22 2HD1 ILE 22 -11.896 3.002 1.064 158 3HD1 ILE 22 3HD1 ILE 22 -13.292 1.900 1.033 159 H SER 23 H SER 23 -12.905 5.397 5.005 160 HA SER 23 HA SER 23 -14.795 4.732 6.894 161 2HB SER 23 2HB SER 23 -12.209 4.676 7.024 162 HG SER 23 HG SER 23 -11.156 6.483 7.690 163 H GLN 24 H GLN 24 -13.534 7.929 5.781 164 HA GLN 24 HA GLN 24 -14.809 9.448 7.705 165 2HB GLN 24 2HB GLN 24 -14.703 11.029 5.370 166 2HG GLN 24 2HG GLN 24 -12.173 10.774 6.906 167 1HE2 GLN 24 1HE2 GLN 24 -11.991 12.227 4.989 168 2HE2 GLN 24 2HE2 GLN 24 -12.413 13.895 5.178 169 H THR 25 H THR 25 -15.874 8.314 4.446 170 HA THR 25 HA THR 25 -18.192 9.732 4.161 171 HB THR 25 HB THR 25 -17.371 6.884 3.431 172 HG1 THR 25 1HG THR 25 -16.309 8.725 2.413 173 1HG2 THR 25 1HG2 THR 25 -19.359 7.877 1.640 174 2HG2 THR 25 2HG2 THR 25 -19.506 6.472 2.724 175 3HG2 THR 25 3HG2 THR 25 -20.035 8.079 3.274 176 H LEU 26 H LEU 26 -17.682 6.743 6.114 177 HA LEU 26 HA LEU 26 -20.372 7.184 7.199 178 2HB LEU 26 2HB LEU 26 -20.579 5.064 6.547 179 HG LEU 26 HG LEU 26 -17.581 4.884 6.572 180 1HD1 LEU 26 1HD1 LEU 26 -17.470 2.691 6.944 181 2HD1 LEU 26 2HD1 LEU 26 -19.120 2.820 7.599 182 3HD1 LEU 26 3HD1 LEU 26 -18.871 2.358 5.898 183 1HD2 LEU 26 1HD2 LEU 26 -18.715 5.678 4.550 184 2HD2 LEU 26 2HD2 LEU 26 -17.903 4.118 4.278 185 3HD2 LEU 26 3HD2 LEU 26 -19.670 4.178 4.491 186 H ASN 27 H ASN 27 -17.769 8.624 7.847 187 HA ASN 27 HA ASN 27 -16.490 9.109 9.565 188 2HB ASN 27 2HB ASN 27 -19.146 8.773 11.058 189 1HD2 ASN 27 1HD2 ASN 27 -19.132 9.364 13.094 190 2HD2 ASN 27 2HD2 ASN 27 -17.855 10.180 13.934 191 H THR 28 H THR 28 -16.623 6.196 9.014 192 HA THR 28 HA THR 28 -16.828 4.878 11.570 193 HB THR 28 HB THR 28 -17.064 4.179 8.843 194 HG1 THR 28 1HG THR 28 -18.112 3.210 10.717 195 1HG2 THR 28 1HG2 THR 28 -14.633 2.867 10.167 196 2HG2 THR 28 2HG2 THR 28 -15.483 2.200 8.752 197 3HG2 THR 28 3HG2 THR 28 -14.639 3.763 8.629 198 HA PRO 29 HA PRO 29 -12.705 5.044 12.741 199 2HB PRO 29 2HB PRO 29 -13.115 3.939 14.719 200 2HG PRO 29 2HG PRO 29 -14.970 2.567 14.688 201 2HD PRO 29 2HD PRO 29 -16.182 3.557 13.004 202 H GLN 30 H GLN 30 -10.705 5.018 11.877 203 HA GLN 30 HA GLN 30 -10.307 4.024 9.448 204 2HB GLN 30 2HB GLN 30 -7.894 3.729 11.135 205 2HG GLN 30 2HG GLN 30 -7.241 5.719 9.603 206 1HE2 GLN 30 1HE2 GLN 30 -8.802 4.218 7.122 207 2HE2 GLN 30 2HE2 GLN 30 -7.695 2.939 6.754 208 HA PRO 31 HA PRO 31 -8.830 -0.109 11.252 209 2HB PRO 31 2HB PRO 31 -7.699 -0.032 13.256 210 2HG PRO 31 2HG PRO 31 -8.111 1.851 14.522 211 2HD PRO 31 2HD PRO 31 -8.767 3.315 12.876 212 H MET 32 H MET 32 -11.132 0.421 10.036 213 HA MET 32 HA MET 32 -12.738 -1.715 11.145 214 2HB MET 32 2HB MET 32 -14.100 0.813 10.140 215 2HG MET 32 2HG MET 32 -15.380 -1.336 10.653 216 1HE MET 32 1HE MET 32 -14.726 -3.688 12.136 217 2HE MET 32 2HE MET 32 -15.831 -3.510 13.521 218 3HE MET 32 3HE MET 32 -16.320 -2.927 11.911 219 H ILE 33 H ILE 33 -12.194 0.662 8.474 220 HA ILE 33 HA ILE 33 -13.621 -0.952 6.593 221 HB ILE 33 HB ILE 33 -11.925 1.527 6.383 222 2HG1 ILE 33 2HG1 ILE 33 -14.132 2.541 5.767 223 1HG2 ILE 33 1HG2 ILE 33 -12.912 -0.281 4.251 224 2HG2 ILE 33 2HG2 ILE 33 -13.180 1.460 4.003 225 3HG2 ILE 33 3HG2 ILE 33 -11.532 0.843 4.266 226 1HD1 ILE 33 1HD1 ILE 33 -15.159 0.215 5.220 227 2HD1 ILE 33 2HD1 ILE 33 -15.342 0.033 6.981 228 3HD1 ILE 33 3HD1 ILE 33 -16.167 1.363 6.134 229 H ASN 34 H ASN 34 -10.285 -0.596 7.755 230 HA ASN 34 HA ASN 34 -9.003 -1.742 5.607 231 2HB ASN 34 2HB ASN 34 -7.287 -2.443 7.451 232 1HD2 ASN 34 1HD2 ASN 34 -8.038 0.295 9.104 233 2HD2 ASN 34 2HD2 ASN 34 -7.253 1.500 8.141 234 H ALA 35 H ALA 35 -10.526 -3.137 8.583 235 HA ALA 35 HA ALA 35 -9.717 -5.778 8.195 236 1HB ALA 35 1HB ALA 35 -11.816 -6.201 9.649 237 2HB ALA 35 2HB ALA 35 -10.535 -5.168 10.327 238 3HB ALA 35 3HB ALA 35 -12.008 -4.432 9.650 239 H MET 36 H MET 36 -12.628 -3.942 7.086 240 HA MET 36 HA MET 36 -13.884 -6.138 5.947 241 2HB MET 36 2HB MET 36 -15.310 -4.451 4.885 242 2HG MET 36 2HG MET 36 -14.776 -2.591 7.015 243 1HE MET 36 1HE MET 36 -17.099 -1.711 6.191 244 2HE MET 36 2HE MET 36 -18.407 -2.248 7.273 245 3HE MET 36 3HE MET 36 -16.834 -1.762 7.950 246 H LEU 37 H LEU 37 -11.804 -3.551 4.465 247 HA LEU 37 HA LEU 37 -11.908 -4.466 1.870 248 2HB LEU 37 2HB LEU 37 -9.636 -3.322 1.708 249 HG LEU 37 HG LEU 37 -12.062 -1.885 2.775 250 1HD1 LEU 37 1HD1 LEU 37 -10.238 -0.587 3.626 251 2HD1 LEU 37 2HD1 LEU 37 -9.382 -0.667 2.068 252 3HD1 LEU 37 3HD1 LEU 37 -10.900 0.251 2.203 253 1HD2 LEU 37 1HD2 LEU 37 -12.561 -1.398 0.616 254 2HD2 LEU 37 2HD2 LEU 37 -10.854 -1.329 0.114 255 3HD2 LEU 37 3HD2 LEU 37 -11.652 -2.904 0.339 256 H GLN 38 H GLN 38 -9.916 -5.549 4.647 257 HA GLN 38 HA GLN 38 -8.157 -7.106 3.214 258 2HB GLN 38 2HB GLN 38 -8.943 -8.232 5.831 259 2HG GLN 38 2HG GLN 38 -6.381 -6.748 5.219 260 1HE2 GLN 38 1HE2 GLN 38 -6.477 -6.675 7.547 261 2HE2 GLN 38 2HE2 GLN 38 -6.024 -8.056 8.489 262 H GLN 39 H GLN 39 -11.501 -7.713 4.326 263 HA GLN 39 HA GLN 39 -11.424 -10.472 3.831 264 2HB GLN 39 2HB GLN 39 -14.054 -9.106 3.596 265 2HG GLN 39 2HG GLN 39 -14.219 -10.662 5.791 266 1HE2 GLN 39 1HE2 GLN 39 -13.311 -13.179 4.095 267 2HE2 GLN 39 2HE2 GLN 39 -14.644 -13.430 3.018 268 H LEU 40 H LEU 40 -12.654 -7.627 1.948 269 HA LEU 40 HA LEU 40 -13.598 -9.097 -0.220 270 2HB LEU 40 2HB LEU 40 -13.509 -6.965 -1.419 271 HG LEU 40 HG LEU 40 -14.446 -6.700 1.449 272 1HD1 LEU 40 1HD1 LEU 40 -13.991 -4.480 0.578 273 2HD1 LEU 40 2HD1 LEU 40 -14.933 -4.835 -0.890 274 3HD1 LEU 40 3HD1 LEU 40 -15.747 -4.751 0.691 275 1HD2 LEU 40 1HD2 LEU 40 -16.686 -6.755 -0.063 276 2HD2 LEU 40 2HD2 LEU 40 -15.619 -7.790 -1.040 277 3HD2 LEU 40 3HD2 LEU 40 -15.937 -8.197 0.664 278 H GLU 41 H GLU 41 -10.348 -7.771 0.566 279 HA GLU 41 HA GLU 41 -9.234 -8.315 -1.915 280 2HB GLU 41 2HB GLU 41 -7.928 -8.166 0.838 281 2HG GLU 41 2HG GLU 41 -6.334 -7.285 -1.455 282 HE2 GLU 41 HE GLU 41 -4.362 -9.008 -1.253 283 H SER 42 H SER 42 -9.226 -10.215 1.181 284 HA SER 42 HA SER 42 -7.723 -12.307 0.299 285 2HB SER 42 2HB SER 42 -10.124 -12.552 2.158 286 HG SER 42 HG SER 42 -7.728 -13.778 2.857 287 H MET 43 H MET 43 -11.330 -11.889 0.181 288 HA MET 43 HA MET 43 -11.824 -14.330 -1.031 289 2HB MET 43 2HB MET 43 -13.987 -13.006 -1.786 290 2HG MET 43 2HG MET 43 -13.696 -12.605 1.154 291 1HE MET 43 1HE MET 43 -15.606 -15.836 -0.865 292 2HE MET 43 2HE MET 43 -14.563 -15.811 0.577 293 3HE MET 43 3HE MET 43 -16.331 -15.884 0.761 294 H GLY 44 H GLY 44 -11.371 -11.015 -2.426 295 1HA GLY 44 1HA GLY 44 -10.112 -10.802 -4.452 296 2HA GLY 44 2HA GLY 44 -10.808 -12.306 -5.022 297 H LYS 45 H LYS 45 -12.370 -9.450 -3.413 298 HA LYS 45 HA LYS 45 -14.228 -9.372 -5.671 299 2HB LYS 45 2HB LYS 45 -15.825 -8.496 -4.225 300 2HG LYS 45 2HG LYS 45 -15.646 -9.840 -2.080 301 2HD LYS 45 2HD LYS 45 -14.709 -11.732 -4.199 302 2HE LYS 45 2HE LYS 45 -17.313 -11.509 -2.615 303 1HZ LYS 45 1HZ LYS 45 -17.700 -13.677 -3.375 304 2HZ LYS 45 2HZ LYS 45 -17.122 -12.961 -4.719 305 H ALA 46 H ALA 46 -12.288 -7.192 -3.508 306 HA ALA 46 HA ALA 46 -12.487 -5.134 -5.566 307 1HB ALA 46 1HB ALA 46 -11.126 -3.981 -3.521 308 2HB ALA 46 2HB ALA 46 -12.903 -4.051 -3.595 309 3HB ALA 46 3HB ALA 46 -12.005 -5.244 -2.627 310 H VAL 47 H VAL 47 -10.326 -3.803 -5.809 311 HA VAL 47 HA VAL 47 -8.084 -5.693 -5.904 312 HB VAL 47 HB VAL 47 -7.467 -4.751 -8.082 313 1HG1 VAL 47 1HG1 VAL 47 -8.912 -6.822 -7.812 314 2HG1 VAL 47 2HG1 VAL 47 -10.309 -5.793 -8.208 315 3HG1 VAL 47 3HG1 VAL 47 -9.001 -6.011 -9.394 316 1HG2 VAL 47 1HG2 VAL 47 -9.645 -3.596 -9.204 317 2HG2 VAL 47 2HG2 VAL 47 -9.802 -3.001 -7.534 318 3HG2 VAL 47 3HG2 VAL 47 -8.314 -2.680 -8.456 319 H ARG 48 H ARG 48 -5.965 -4.682 -5.757 320 HA ARG 48 HA ARG 48 -6.125 -2.347 -4.122 321 2HB ARG 48 2HB ARG 48 -3.421 -2.869 -4.419 322 2HG ARG 48 2HG ARG 48 -4.964 -4.696 -2.594 323 2HD ARG 48 2HD ARG 48 -2.970 -2.618 -1.712 324 HE ARG 48 HE ARG 48 -4.106 -4.888 -0.535 325 1HH1 ARG 48 2HH2 ARG 48 -0.807 -3.770 -1.187 326 2HH1 ARG 48 1HH2 ARG 48 -0.123 -4.607 0.166 327 2HH2 ARG 48 1HH ARG 48 -1.550 -5.908 1.585 328 H ILE 49 H ILE 49 -5.280 -0.272 -4.646 329 HA ILE 49 HA ILE 49 -4.349 0.003 -7.420 330 HB ILE 49 HB ILE 49 -6.250 1.694 -5.816 331 2HG1 ILE 49 2HG1 ILE 49 -6.391 0.118 -8.377 332 1HG2 ILE 49 1HG2 ILE 49 -4.340 2.533 -7.905 333 2HG2 ILE 49 2HG2 ILE 49 -6.026 3.042 -8.164 334 3HG2 ILE 49 3HG2 ILE 49 -5.185 3.484 -6.659 335 1HD1 ILE 49 1HD1 ILE 49 -7.899 0.315 -5.759 336 2HD1 ILE 49 2HD1 ILE 49 -8.723 -0.293 -7.215 337 3HD1 ILE 49 3HD1 ILE 49 -7.281 -1.132 -6.592 338 H GLN 50 H GLN 50 -2.645 1.497 -7.802 339 HA GLN 50 HA GLN 50 -1.194 2.100 -5.355 340 2HB GLN 50 2HB GLN 50 -0.281 1.744 -8.237 341 2HG GLN 50 2HG GLN 50 1.112 2.930 -5.835 342 1HE2 GLN 50 1HE2 GLN 50 3.385 2.943 -5.749 343 2HE2 GLN 50 2HE2 GLN 50 4.337 1.626 -6.347 344 H GLU 51 H GLU 51 -0.158 4.212 -5.106 345 HA GLU 51 HA GLU 51 -1.494 6.227 -6.741 346 2HB GLU 51 2HB GLU 51 -0.571 7.438 -4.341 347 2HG GLU 51 2HG GLU 51 -3.299 6.913 -3.987 348 HE2 GLU 51 HE GLU 51 -3.300 8.974 -6.603 349 H GLU 52 H GLU 52 -0.176 8.420 -6.702 350 HA GLU 52 HA GLU 52 2.074 8.111 -8.092 351 2HB GLU 52 2HB GLU 52 2.686 10.464 -6.965 352 2HG GLU 52 2HG GLU 52 0.032 10.355 -8.413 353 HE2 GLU 52 HE GLU 52 0.799 13.626 -9.078 354 HA PRO 53 HA PRO 53 4.917 6.571 -5.138 355 2HB PRO 53 2HB PRO 53 5.736 5.005 -6.614 356 2HG PRO 53 2HG PRO 53 5.208 5.395 -8.825 357 2HD PRO 53 2HD PRO 53 3.316 6.677 -8.572 358 H ASP 54 H ASP 54 7.675 6.947 -5.174 359 HA ASP 54 HA ASP 54 7.735 9.850 -4.918 360 2HB ASP 54 2HB ASP 54 9.520 8.118 -3.218 361 HD2 ASP 54 HD ASP 54 7.015 10.404 -2.549 362 H GLY 55 H GLY 55 10.143 10.663 -4.975 363 1HA GLY 55 1HA GLY 55 11.405 10.143 -7.287 364 2HA GLY 55 2HA GLY 55 12.241 10.650 -5.832 365 H CYS 56 H CYS 56 13.376 8.952 -7.884 366 HA CYS 56 HA CYS 56 14.021 6.696 -6.192 367 2HB CYS 56 2HB CYS 56 13.874 5.342 -8.532 368 HG CYS 56 HG CYS 56 12.187 3.863 -7.592 369 H LEU 57 H LEU 57 14.429 8.103 -9.531 370 HA LEU 57 HA LEU 57 16.222 8.647 -10.696 371 2HB LEU 57 2HB LEU 57 18.320 9.247 -9.264 372 HG LEU 57 HG LEU 57 17.424 11.401 -8.577 373 1HD1 LEU 57 1HD1 LEU 57 16.097 10.789 -11.210 374 2HD1 LEU 57 2HD1 LEU 57 16.960 12.257 -10.693 375 3HD1 LEU 57 3HD1 LEU 57 17.869 10.766 -11.036 376 1HD2 LEU 57 1HD2 LEU 57 15.256 10.444 -7.689 377 2HD2 LEU 57 2HD2 LEU 57 15.129 11.978 -8.581 378 3HD2 LEU 57 3HD2 LEU 57 14.666 10.451 -9.368 379 H SER 58 H SER 58 17.316 7.284 -12.003 380 HA SER 58 HA SER 58 17.933 4.703 -11.029 381 2HB SER 58 2HB SER 58 17.142 5.357 -13.394 382 HG SER 58 HG SER 58 19.960 5.687 -13.893 383 H GLY 59 H GLY 59 20.164 3.688 -11.329 384 1HA GLY 59 1HA GLY 59 22.328 5.664 -10.976 385 2HA GLY 59 2HA GLY 59 22.115 4.344 -9.844 386 H SER 60 H SER 60 23.961 3.121 -10.254 387 HA SER 60 HA SER 60 24.773 2.644 -12.924 388 2HB SER 60 2HB SER 60 26.070 0.785 -11.230 389 HG SER 60 HG SER 60 27.630 2.840 -11.188 390 H CYS 61 H CYS 61 25.156 0.287 -13.704 391 HA CYS 61 HA CYS 61 22.664 -1.030 -13.665 392 2HB CYS 61 2HB CYS 61 24.127 -1.035 -15.639 393 HG CYS 61 HG CYS 61 25.887 -3.466 -14.477 394 H LYS 62 H LYS 62 22.214 -3.195 -12.801 395 HA LYS 62 HA LYS 62 22.252 -4.772 -11.258 396 2HB LYS 62 2HB LYS 62 24.825 -5.134 -10.348 397 2HG LYS 62 2HG LYS 62 24.932 -6.699 -12.465 398 2HD LYS 62 2HD LYS 62 23.547 -6.864 -9.962 399 2HE LYS 62 2HE LYS 62 21.666 -7.056 -12.054 400 1HZ LYS 62 1HZ LYS 62 21.432 -9.229 -12.567 401 2HZ LYS 62 2HZ LYS 62 22.950 -9.456 -12.026 402 H SER 63 H SER 63 21.281 -4.413 -9.344 403 HA SER 63 HA SER 63 22.679 -3.342 -7.196 404 2HB SER 63 2HB SER 63 22.287 -1.204 -8.471 405 HG SER 63 HG SER 63 20.295 -1.304 -9.402 406 H CYS 64 H CYS 64 21.019 -2.911 -5.277 407 HA CYS 64 HA CYS 64 18.443 -4.054 -5.609 408 2HB CYS 64 2HB CYS 64 20.376 -5.688 -3.940 409 HG CYS 64 HG CYS 64 18.621 -7.054 -3.090 410 HA PRO 65 HA PRO 65 19.199 -1.176 -2.161 411 2HB PRO 65 2HB PRO 65 19.109 0.816 -3.313 412 2HG PRO 65 2HG PRO 65 18.412 0.631 -5.504 413 2HD PRO 65 2HD PRO 65 18.967 -1.560 -5.925 414 H GLU 66 H GLU 66 17.077 0.238 -1.045 415 HA GLU 66 HA GLU 66 15.254 -1.982 -0.544 416 2HB GLU 66 2HB GLU 66 15.243 -1.504 1.808 417 2HG GLU 66 2HG GLU 66 17.557 -2.328 0.528 418 HE2 GLU 66 HE GLU 66 20.223 -1.393 1.643 419 H GLY 67 H GLY 67 13.807 -0.171 1.443 420 1HA GLY 67 1HA GLY 67 12.953 2.219 0.571 421 2HA GLY 67 2HA GLY 67 12.115 1.131 -0.518 422 H LYS 68 H LYS 68 11.189 2.930 1.803 423 HA LYS 68 HA LYS 68 10.340 1.168 3.857 424 2HB LYS 68 2HB LYS 68 8.746 3.288 4.199 425 2HG LYS 68 2HG LYS 68 10.950 4.423 5.168 426 2HD LYS 68 2HD LYS 68 9.106 2.713 6.225 427 2HE LYS 68 2HE LYS 68 11.712 1.214 5.988 428 1HZ LYS 68 1HZ LYS 68 9.863 0.873 8.286 429 2HZ LYS 68 2HZ LYS 68 11.237 0.041 8.015 430 H ALA 69 H ALA 69 7.725 1.408 4.334 431 HA ALA 69 HA ALA 69 6.501 -0.440 2.809 432 1HB ALA 69 1HB ALA 69 5.524 0.266 4.868 433 2HB ALA 69 2HB ALA 69 5.390 1.952 4.313 434 3HB ALA 69 3HB ALA 69 4.346 0.697 3.605 435 H CYS 70 H CYS 70 4.737 -0.299 1.169 436 HA CYS 70 HA CYS 70 5.582 1.400 -0.950 437 2HB CYS 70 2HB CYS 70 3.611 0.303 -2.149 438 HG CYS 70 HG CYS 70 5.149 -1.227 -3.085 439 H LEU 71 H LEU 71 4.052 2.908 -2.099 440 HA LEU 71 HA LEU 71 3.013 4.815 -0.443 441 2HB LEU 71 2HB LEU 71 1.596 5.324 -2.608 442 HG LEU 71 HG LEU 71 3.488 6.332 -3.741 443 1HD1 LEU 71 1HD1 LEU 71 2.534 7.318 -1.611 444 2HD1 LEU 71 2HD1 LEU 71 3.958 6.655 -0.773 445 3HD1 LEU 71 3HD1 LEU 71 4.167 7.858 -2.067 446 1HD2 LEU 71 1HD2 LEU 71 5.728 5.873 -3.351 447 2HD2 LEU 71 2HD2 LEU 71 5.408 5.113 -1.774 448 3HD2 LEU 71 3HD2 LEU 71 4.977 4.261 -3.276 449 H ARG 72 H ARG 72 0.703 5.520 -0.152 450 HA ARG 72 HA ARG 72 -0.699 3.444 1.036 451 2HB ARG 72 2HB ARG 72 -2.608 5.394 0.789 452 2HG ARG 72 2HG ARG 72 -0.703 6.440 2.662 453 2HD ARG 72 2HD ARG 72 -2.497 4.481 3.841 454 HE ARG 72 HE ARG 72 -2.015 7.357 3.998 455 1HH1 ARG 72 2HH2 ARG 72 -4.240 4.770 4.951 456 2HH1 ARG 72 1HH2 ARG 72 -4.871 5.643 6.308 457 2HH2 ARG 72 1HH ARG 72 -4.037 7.839 6.781 458 H GLU 73 H GLU 73 -1.182 1.770 -0.482 459 HA GLU 73 HA GLU 73 -2.204 2.261 -3.006 460 2HB GLU 73 2HB GLU 73 -2.940 -0.194 -2.843 461 2HG GLU 73 2HG GLU 73 -0.106 0.685 -2.148 462 HE2 GLU 73 HE GLU 73 0.657 -2.730 -3.326 463 H TRP 74 H TRP 74 -4.322 2.342 -3.853 464 HA TRP 74 HA TRP 74 -6.355 2.944 -1.857 465 2HB TRP 74 2HB TRP 74 -7.631 3.631 -3.971 466 HD1 TRP 74 HD TRP 74 -5.699 4.847 -1.328 467 HE1 TRP 74 1HE TRP 74 -5.122 7.422 -1.355 468 HE3 TRP 74 3HE TRP 74 -6.678 5.552 -6.267 469 HZ2 TRP 74 2HZ TRP 74 -5.140 9.420 -3.392 470 HZ3 TRP 74 3HZ TRP 74 -6.374 7.846 -7.196 471 HH2 TRP 74 HH TRP 74 -5.633 9.741 -5.844 472 H TRP 75 H TRP 75 -8.661 2.085 -2.506 473 HA TRP 75 HA TRP 75 -8.375 -0.693 -3.430 474 2HB TRP 75 2HB TRP 75 -10.229 -1.221 -1.827 475 HD1 TRP 75 HD TRP 75 -7.841 0.744 0.435 476 HE1 TRP 75 1HE TRP 75 -6.088 -0.842 1.607 477 HE3 TRP 75 3HE TRP 75 -9.013 -3.411 -2.254 478 HZ2 TRP 75 2HZ TRP 75 -5.403 -3.593 1.286 479 HZ3 TRP 75 3HZ TRP 75 -7.755 -5.505 -1.762 480 HH2 TRP 75 HH TRP 75 -6.003 -5.639 -0.062 481 H ALA 76 H ALA 76 -10.186 -1.487 -4.679 482 HA ALA 76 HA ALA 76 -12.362 0.307 -5.232 483 1HB ALA 76 1HB ALA 76 -10.253 0.940 -6.687 484 2HB ALA 76 2HB ALA 76 -10.710 -0.507 -7.619 485 3HB ALA 76 3HB ALA 76 -11.861 0.839 -7.445 486 H LEU 77 H LEU 77 -13.641 -0.832 -7.250 487 HA LEU 77 HA LEU 77 -13.885 -3.604 -6.373 488 2HB LEU 77 2HB LEU 77 -16.090 -3.540 -7.124 489 HG LEU 77 HG LEU 77 -15.417 -0.808 -6.019 490 1HD1 LEU 77 1HD1 LEU 77 -17.400 -0.567 -7.421 491 2HD1 LEU 77 2HD1 LEU 77 -18.177 -1.930 -6.580 492 3HD1 LEU 77 3HD1 LEU 77 -17.814 -0.428 -5.696 493 1HD2 LEU 77 1HD2 LEU 77 -15.917 -3.425 -4.881 494 2HD2 LEU 77 2HD2 LEU 77 -15.335 -1.933 -4.105 495 3HD2 LEU 77 3HD2 LEU 77 -17.083 -2.225 -4.275 496 H ARG 78 H ARG 78 -14.087 -5.338 -7.957 497 HA ARG 78 HA ARG 78 -12.181 -5.001 -9.998 498 2HB ARG 78 2HB ARG 78 -14.091 -7.302 -9.354 499 2HG ARG 78 2HG ARG 78 -13.142 -7.231 -11.759 500 2HD ARG 78 2HD ARG 78 -10.566 -8.268 -10.638 501 HE ARG 78 HE ARG 78 -11.541 -7.242 -13.161 502 1HH1 ARG 78 2HH2 ARG 78 -8.602 -7.462 -11.194 503 2HH1 ARG 78 1HH2 ARG 78 -7.536 -7.364 -12.554 504 2HH2 ARG 78 1HH ARG 78 -8.458 -7.160 -14.757 Start of MODEL 3 1 1H MET 1 H MET 1 -25.049 5.774 9.934 2 HA MET 1 HA MET 1 -25.842 2.967 9.874 3 2HB MET 1 2HB MET 1 -25.847 4.342 7.276 4 2HG MET 1 2HG MET 1 -28.301 3.497 8.851 5 1HE MET 1 1HE MET 1 -30.650 3.484 6.015 6 2HE MET 1 2HE MET 1 -30.227 2.399 7.360 7 3HE MET 1 3HE MET 1 -30.285 4.158 7.621 8 H ALA 2 H ALA 2 -24.435 1.447 9.037 9 HA ALA 2 HA ALA 2 -22.310 2.279 7.285 10 1HB ALA 2 1HB ALA 2 -20.894 0.849 9.234 11 2HB ALA 2 2HB ALA 2 -20.794 2.599 8.921 12 3HB ALA 2 3HB ALA 2 -21.905 1.980 10.165 13 H SER 3 H SER 3 -21.385 0.477 6.158 14 HA SER 3 HA SER 3 -21.733 -2.136 6.844 15 2HB SER 3 2HB SER 3 -24.103 -2.023 6.655 16 HG SER 3 HG SER 3 -23.551 -0.118 4.719 17 H LEU 4 H LEU 4 -21.211 -3.628 4.933 18 HA LEU 4 HA LEU 4 -19.123 -2.583 3.453 19 2HB LEU 4 2HB LEU 4 -19.932 -4.792 2.040 20 HG LEU 4 HG LEU 4 -18.211 -4.498 4.484 21 1HD1 LEU 4 1HD1 LEU 4 -18.830 -6.597 5.077 22 2HD1 LEU 4 2HD1 LEU 4 -19.367 -7.030 3.437 23 3HD1 LEU 4 3HD1 LEU 4 -17.633 -7.031 3.834 24 1HD2 LEU 4 1HD2 LEU 4 -17.421 -5.649 1.820 25 2HD2 LEU 4 2HD2 LEU 4 -17.565 -3.890 2.049 26 3HD2 LEU 4 3HD2 LEU 4 -16.423 -4.826 3.043 27 H ILE 5 H ILE 5 -22.615 -2.903 2.711 28 HA ILE 5 HA ILE 5 -22.493 -2.382 -0.001 29 HB ILE 5 HB ILE 5 -24.613 -1.668 2.028 30 2HG1 ILE 5 2HG1 ILE 5 -23.869 -4.097 1.828 31 1HG2 ILE 5 1HG2 ILE 5 -24.417 -0.971 -0.733 32 2HG2 ILE 5 2HG2 ILE 5 -25.703 -2.187 -0.547 33 3HG2 ILE 5 3HG2 ILE 5 -25.755 -0.684 0.404 34 1HD1 ILE 5 1HD1 ILE 5 -25.964 -4.579 2.541 35 2HD1 ILE 5 2HD1 ILE 5 -26.425 -2.920 2.088 36 3HD1 ILE 5 3HD1 ILE 5 -26.643 -4.252 0.928 37 H GLN 6 H GLN 6 -22.541 -0.142 2.825 38 HA GLN 6 HA GLN 6 -22.808 2.181 1.384 39 2HB GLN 6 2HB GLN 6 -21.106 2.723 3.611 40 2HG GLN 6 2HG GLN 6 -24.114 2.639 3.856 41 1HE2 GLN 6 1HE2 GLN 6 -21.990 5.368 3.323 42 2HE2 GLN 6 2HE2 GLN 6 -21.980 5.992 4.938 43 H VAL 7 H VAL 7 -19.790 0.504 2.519 44 HA VAL 7 HA VAL 7 -18.056 2.345 1.289 45 HB VAL 7 HB VAL 7 -17.758 -0.481 2.299 46 1HG1 VAL 7 1HG1 VAL 7 -15.729 1.313 0.974 47 2HG1 VAL 7 2HG1 VAL 7 -15.235 0.134 2.213 48 3HG1 VAL 7 3HG1 VAL 7 -16.037 -0.422 0.724 49 1HG2 VAL 7 1HG2 VAL 7 -17.422 2.252 3.424 50 2HG2 VAL 7 2HG2 VAL 7 -17.922 0.735 4.212 51 3HG2 VAL 7 3HG2 VAL 7 -16.199 1.044 3.888 52 H ARG 8 H ARG 8 -19.366 -0.880 0.293 53 HA ARG 8 HA ARG 8 -17.953 -1.148 -2.003 54 2HB ARG 8 2HB ARG 8 -20.159 -2.384 -2.798 55 2HG ARG 8 2HG ARG 8 -19.158 -3.363 -0.118 56 2HD ARG 8 2HD ARG 8 -19.649 -4.649 -2.848 57 HE ARG 8 HE ARG 8 -17.891 -5.604 -0.927 58 1HH1 ARG 8 2HH2 ARG 8 -21.014 -6.733 -2.166 59 2HH1 ARG 8 1HH2 ARG 8 -20.668 -8.404 -1.868 60 2HH2 ARG 8 1HH ARG 8 -18.559 -9.013 -0.908 61 H ASP 9 H ASP 9 -21.063 0.607 -1.419 62 HA ASP 9 HA ASP 9 -21.537 1.239 -4.071 63 2HB ASP 9 2HB ASP 9 -22.274 3.018 -1.715 64 HD2 ASP 9 HD ASP 9 -24.660 4.444 -3.701 65 H LEU 10 H LEU 10 -20.002 3.091 -1.336 66 HA LEU 10 HA LEU 10 -19.424 5.394 -2.768 67 2HB LEU 10 2HB LEU 10 -17.422 5.194 -0.891 68 HG LEU 10 HG LEU 10 -18.687 6.562 0.544 69 1HD1 LEU 10 1HD1 LEU 10 -20.182 7.538 -1.758 70 2HD1 LEU 10 2HD1 LEU 10 -18.842 8.286 -0.854 71 3HD1 LEU 10 3HD1 LEU 10 -18.496 7.133 -2.165 72 1HD2 LEU 10 1HD2 LEU 10 -20.620 5.332 1.019 73 2HD2 LEU 10 2HD2 LEU 10 -21.219 6.796 0.204 74 3HD2 LEU 10 3HD2 LEU 10 -21.111 5.261 -0.690 75 H LEU 11 H LEU 11 -17.404 2.444 -2.161 76 HA LEU 11 HA LEU 11 -15.166 3.296 -3.532 77 2HB LEU 11 2HB LEU 11 -15.097 0.640 -3.946 78 HG LEU 11 HG LEU 11 -14.831 1.708 -1.131 79 1HD1 LEU 11 1HD1 LEU 11 -13.359 -0.495 -2.604 80 2HD1 LEU 11 2HD1 LEU 11 -13.101 0.005 -0.915 81 3HD1 LEU 11 3HD1 LEU 11 -14.651 -0.723 -1.400 82 1HD2 LEU 11 1HD2 LEU 11 -13.579 3.306 -2.217 83 2HD2 LEU 11 2HD2 LEU 11 -12.360 2.043 -1.922 84 3HD2 LEU 11 3HD2 LEU 11 -13.105 2.204 -3.532 85 H ALA 12 H ALA 12 -18.329 2.279 -4.699 86 HA ALA 12 HA ALA 12 -17.344 1.846 -7.383 87 1HB ALA 12 1HB ALA 12 -19.173 0.545 -7.430 88 2HB ALA 12 2HB ALA 12 -19.645 1.122 -5.813 89 3HB ALA 12 3HB ALA 12 -20.193 1.993 -7.265 90 H LEU 13 H LEU 13 -19.730 4.068 -5.764 91 HA LEU 13 HA LEU 13 -20.053 5.751 -7.932 92 2HB LEU 13 2HB LEU 13 -20.615 7.434 -6.028 93 HG LEU 13 HG LEU 13 -22.762 6.561 -5.673 94 1HD1 LEU 13 1HD1 LEU 13 -23.549 6.111 -7.820 95 2HD1 LEU 13 2HD1 LEU 13 -22.021 6.979 -8.106 96 3HD1 LEU 13 3HD1 LEU 13 -22.085 5.208 -8.278 97 1HD2 LEU 13 1HD2 LEU 13 -23.360 4.183 -5.959 98 2HD2 LEU 13 2HD2 LEU 13 -21.645 3.800 -6.238 99 3HD2 LEU 13 3HD2 LEU 13 -22.169 4.441 -4.662 100 H ARG 14 H ARG 14 -17.902 6.235 -5.038 101 HA ARG 14 HA ARG 14 -16.627 8.400 -6.308 102 2HB ARG 14 2HB ARG 14 -14.935 7.950 -4.307 103 2HG ARG 14 2HG ARG 14 -16.377 9.803 -4.027 104 2HD ARG 14 2HD ARG 14 -18.680 7.794 -4.042 105 HE ARG 14 HE ARG 14 -18.765 10.093 -2.599 106 1HH1 ARG 14 2HH2 ARG 14 -20.181 9.319 -5.753 107 2HH1 ARG 14 1HH2 ARG 14 -21.509 10.415 -5.564 108 2HH2 ARG 14 1HH ARG 14 -21.686 11.710 -3.554 109 H GLY 15 H GLY 15 -16.414 5.005 -6.655 110 1HA GLY 15 1HA GLY 15 -15.034 3.709 -7.877 111 2HA GLY 15 2HA GLY 15 -14.200 5.151 -8.421 112 H ARG 16 H ARG 16 -12.077 4.335 -8.200 113 HA ARG 16 HA ARG 16 -11.238 2.966 -5.943 114 2HB ARG 16 2HB ARG 16 -9.917 2.748 -7.933 115 2HG ARG 16 2HG ARG 16 -10.226 5.717 -8.021 116 2HD ARG 16 2HD ARG 16 -7.597 4.370 -8.375 117 HE ARG 16 HE ARG 16 -7.452 4.869 -10.643 118 1HH1 ARG 16 2HH2 ARG 16 -9.626 7.230 -9.143 119 2HH1 ARG 16 1HH2 ARG 16 -9.877 8.117 -10.610 120 2HH2 ARG 16 1HH ARG 16 -8.782 7.398 -12.617 121 H MET 17 H MET 17 -10.636 3.689 -3.911 122 HA MET 17 HA MET 17 -9.539 6.299 -3.617 123 2HB MET 17 2HB MET 17 -11.561 6.396 -1.660 124 2HG MET 17 2HG MET 17 -12.655 8.071 -3.296 125 1HE MET 17 1HE MET 17 -11.081 10.134 -4.470 126 2HE MET 17 2HE MET 17 -9.769 10.873 -3.521 127 3HE MET 17 3HE MET 17 -9.426 9.486 -4.584 128 H GLU 18 H GLU 18 -9.309 6.727 -1.038 129 HA GLU 18 HA GLU 18 -8.127 4.278 -0.082 130 2HB GLU 18 2HB GLU 18 -7.988 7.057 1.161 131 2HG GLU 18 2HG GLU 18 -7.213 5.263 2.651 132 HE2 GLU 18 HE GLU 18 -4.624 5.249 0.469 133 H ALA 19 H ALA 19 -8.372 3.737 2.323 134 HA ALA 19 HA ALA 19 -11.112 3.467 2.910 135 1HB ALA 19 1HB ALA 19 -8.505 2.636 3.994 136 2HB ALA 19 2HB ALA 19 -9.729 2.924 5.253 137 3HB ALA 19 3HB ALA 19 -10.054 1.759 3.947 138 H ALA 20 H ALA 20 -8.501 5.668 4.053 139 HA ALA 20 HA ALA 20 -9.652 6.823 6.202 140 1HB ALA 20 1HB ALA 20 -8.284 8.746 5.709 141 2HB ALA 20 2HB ALA 20 -7.406 7.306 5.138 142 3HB ALA 20 3HB ALA 20 -8.256 8.351 3.974 143 H GLN 21 H GLN 21 -10.461 7.339 2.738 144 HA GLN 21 HA GLN 21 -12.277 9.426 3.358 145 2HB GLN 21 2HB GLN 21 -12.955 8.591 0.814 146 2HG GLN 21 2HG GLN 21 -10.700 10.137 0.354 147 1HE2 GLN 21 1HE2 GLN 21 -13.775 10.375 2.126 148 2HE2 GLN 21 2HE2 GLN 21 -14.530 11.552 1.104 149 H ILE 22 H ILE 22 -12.503 5.919 2.512 150 HA ILE 22 HA ILE 22 -15.270 5.772 2.380 151 HB ILE 22 HB ILE 22 -13.209 3.714 3.173 152 2HG1 ILE 22 2HG1 ILE 22 -13.182 4.913 0.854 153 1HG2 ILE 22 1HG2 ILE 22 -16.049 3.212 2.252 154 2HG2 ILE 22 2HG2 ILE 22 -14.842 2.015 2.782 155 3HG2 ILE 22 3HG2 ILE 22 -15.525 3.168 3.953 156 1HD1 ILE 22 1HD1 ILE 22 -11.971 3.110 0.168 157 2HD1 ILE 22 2HD1 ILE 22 -12.365 2.413 1.757 158 3HD1 ILE 22 3HD1 ILE 22 -13.360 2.009 0.337 159 H SER 23 H SER 23 -13.023 5.289 5.182 160 HA SER 23 HA SER 23 -14.986 4.664 7.000 161 2HB SER 23 2HB SER 23 -12.506 4.425 7.334 162 HG SER 23 HG SER 23 -11.235 6.169 7.767 163 H GLN 24 H GLN 24 -13.732 7.822 5.832 164 HA GLN 24 HA GLN 24 -14.904 9.406 7.761 165 2HB GLN 24 2HB GLN 24 -14.936 10.908 5.375 166 2HG GLN 24 2HG GLN 24 -12.294 10.811 6.632 167 1HE2 GLN 24 1HE2 GLN 24 -13.180 12.880 8.547 168 2HE2 GLN 24 2HE2 GLN 24 -13.512 14.306 7.623 169 H THR 25 H THR 25 -16.155 8.175 4.604 170 HA THR 25 HA THR 25 -18.509 9.593 4.474 171 HB THR 25 HB THR 25 -17.497 6.907 3.524 172 HG1 THR 25 1HG THR 25 -18.615 9.413 2.486 173 1HG2 THR 25 1HG2 THR 25 -20.305 7.973 2.942 174 2HG2 THR 25 2HG2 THR 25 -19.578 6.467 2.331 175 3HG2 THR 25 3HG2 THR 25 -19.993 6.619 4.055 176 H LEU 26 H LEU 26 -17.812 6.568 6.312 177 HA LEU 26 HA LEU 26 -20.456 6.884 7.540 178 2HB LEU 26 2HB LEU 26 -20.594 4.757 6.909 179 HG LEU 26 HG LEU 26 -17.584 4.701 6.771 180 1HD1 LEU 26 1HD1 LEU 26 -19.449 2.379 7.076 181 2HD1 LEU 26 2HD1 LEU 26 -18.046 2.231 5.991 182 3HD1 LEU 26 3HD1 LEU 26 -17.804 2.620 7.711 183 1HD2 LEU 26 1HD2 LEU 26 -18.343 5.455 4.746 184 2HD2 LEU 26 2HD2 LEU 26 -18.336 3.699 4.453 185 3HD2 LEU 26 3HD2 LEU 26 -19.862 4.532 4.838 186 H ASN 27 H ASN 27 -17.834 8.404 8.060 187 HA ASN 27 HA ASN 27 -16.513 8.944 9.726 188 2HB ASN 27 2HB ASN 27 -18.506 8.631 11.879 189 1HD2 ASN 27 1HD2 ASN 27 -19.532 11.275 11.517 190 2HD2 ASN 27 2HD2 ASN 27 -18.245 12.405 11.782 191 H THR 28 H THR 28 -16.625 6.011 9.198 192 HA THR 28 HA THR 28 -16.669 4.716 11.773 193 HB THR 28 HB THR 28 -17.039 3.984 9.072 194 HG1 THR 28 1HG THR 28 -17.843 2.323 10.309 195 1HG2 THR 28 1HG2 THR 28 -14.495 2.755 10.256 196 2HG2 THR 28 2HG2 THR 28 -15.412 2.045 8.906 197 3HG2 THR 28 3HG2 THR 28 -14.624 3.629 8.712 198 HA PRO 29 HA PRO 29 -12.496 4.972 12.730 199 2HB PRO 29 2HB PRO 29 -12.783 3.871 14.733 200 2HG PRO 29 2HG PRO 29 -14.608 2.463 14.805 201 2HD PRO 29 2HD PRO 29 -15.924 3.416 13.178 202 H GLN 30 H GLN 30 -10.501 4.931 11.828 203 HA GLN 30 HA GLN 30 -10.208 3.962 9.365 204 2HB GLN 30 2HB GLN 30 -7.710 3.659 10.897 205 2HG GLN 30 2HG GLN 30 -7.145 5.695 9.429 206 1HE2 GLN 30 1HE2 GLN 30 -8.916 4.489 6.959 207 2HE2 GLN 30 2HE2 GLN 30 -7.912 3.186 6.417 208 HA PRO 31 HA PRO 31 -8.623 -0.170 11.073 209 2HB PRO 31 2HB PRO 31 -7.377 -0.092 13.008 210 2HG PRO 31 2HG PRO 31 -7.724 1.784 14.302 211 2HD PRO 31 2HD PRO 31 -8.482 3.250 12.702 212 H MET 32 H MET 32 -10.982 0.326 9.981 213 HA MET 32 HA MET 32 -12.519 -1.803 11.194 214 2HB MET 32 2HB MET 32 -13.973 0.678 10.218 215 2HG MET 32 2HG MET 32 -15.442 -0.041 12.244 216 1HE MET 32 1HE MET 32 -16.974 -2.321 12.172 217 2HE MET 32 2HE MET 32 -17.553 -2.993 10.628 218 3HE MET 32 3HE MET 32 -16.003 -3.539 11.311 219 H ILE 33 H ILE 33 -12.170 0.562 8.475 220 HA ILE 33 HA ILE 33 -13.664 -1.092 6.689 221 HB ILE 33 HB ILE 33 -11.993 1.392 6.340 222 2HG1 ILE 33 2HG1 ILE 33 -14.258 2.389 5.869 223 1HG2 ILE 33 1HG2 ILE 33 -13.523 1.224 4.078 224 2HG2 ILE 33 2HG2 ILE 33 -11.799 0.793 4.190 225 3HG2 ILE 33 3HG2 ILE 33 -13.044 -0.472 4.323 226 1HD1 ILE 33 1HD1 ILE 33 -15.482 0.127 7.410 227 2HD1 ILE 33 2HD1 ILE 33 -16.215 1.207 6.200 228 3HD1 ILE 33 3HD1 ILE 33 -15.186 -0.147 5.677 229 H ASN 34 H ASN 34 -10.245 -0.603 7.584 230 HA ASN 34 HA ASN 34 -9.075 -1.772 5.414 231 2HB ASN 34 2HB ASN 34 -7.273 -2.473 7.191 232 1HD2 ASN 34 1HD2 ASN 34 -8.253 0.402 8.660 233 2HD2 ASN 34 2HD2 ASN 34 -7.391 1.546 7.686 234 H ALA 35 H ALA 35 -10.484 -3.184 8.429 235 HA ALA 35 HA ALA 35 -9.635 -5.802 8.093 236 1HB ALA 35 1HB ALA 35 -10.531 -5.287 10.185 237 2HB ALA 35 2HB ALA 35 -11.930 -4.432 9.490 238 3HB ALA 35 3HB ALA 35 -11.859 -6.209 9.440 239 H MET 36 H MET 36 -12.586 -4.089 6.887 240 HA MET 36 HA MET 36 -13.715 -6.343 5.729 241 2HB MET 36 2HB MET 36 -15.194 -4.731 4.637 242 2HG MET 36 2HG MET 36 -14.722 -2.813 6.747 243 1HE MET 36 1HE MET 36 -16.886 -1.842 7.158 244 2HE MET 36 2HE MET 36 -16.975 -2.168 5.411 245 3HE MET 36 3HE MET 36 -18.380 -2.503 6.451 246 H LEU 37 H LEU 37 -11.638 -3.716 4.330 247 HA LEU 37 HA LEU 37 -11.658 -4.614 1.719 248 2HB LEU 37 2HB LEU 37 -9.415 -3.414 1.621 249 HG LEU 37 HG LEU 37 -11.886 -2.034 2.667 250 1HD1 LEU 37 1HD1 LEU 37 -10.897 0.093 2.502 251 2HD1 LEU 37 2HD1 LEU 37 -9.740 -0.889 3.433 252 3HD1 LEU 37 3HD1 LEU 37 -9.437 -0.550 1.712 253 1HD2 LEU 37 1HD2 LEU 37 -10.779 -2.719 0.045 254 2HD2 LEU 37 2HD2 LEU 37 -12.441 -2.292 0.520 255 3HD2 LEU 37 3HD2 LEU 37 -11.252 -1.009 0.189 256 H GLN 38 H GLN 38 -9.665 -5.621 4.538 257 HA GLN 38 HA GLN 38 -7.904 -7.190 3.086 258 2HB GLN 38 2HB GLN 38 -8.541 -8.193 5.792 259 2HG GLN 38 2HG GLN 38 -6.023 -6.771 5.503 260 1HE2 GLN 38 1HE2 GLN 38 -4.340 -8.046 6.226 261 2HE2 GLN 38 2HE2 GLN 38 -4.566 -9.601 6.956 262 H GLN 39 H GLN 39 -11.063 -7.939 4.676 263 HA GLN 39 HA GLN 39 -10.978 -10.662 4.207 264 2HB GLN 39 2HB GLN 39 -13.662 -9.389 4.100 265 2HG GLN 39 2HG GLN 39 -12.231 -11.431 5.852 266 1HE2 GLN 39 1HE2 GLN 39 -12.726 -10.275 7.775 267 2HE2 GLN 39 2HE2 GLN 39 -14.322 -10.281 8.447 268 H LEU 40 H LEU 40 -12.453 -7.960 2.285 269 HA LEU 40 HA LEU 40 -13.503 -9.560 0.270 270 2HB LEU 40 2HB LEU 40 -13.555 -7.493 -1.041 271 HG LEU 40 HG LEU 40 -14.265 -7.044 1.870 272 1HD1 LEU 40 1HD1 LEU 40 -14.110 -5.138 -0.206 273 2HD1 LEU 40 2HD1 LEU 40 -15.839 -5.487 0.038 274 3HD1 LEU 40 3HD1 LEU 40 -14.837 -4.952 1.408 275 1HD2 LEU 40 1HD2 LEU 40 -15.406 -8.954 0.787 276 2HD2 LEU 40 2HD2 LEU 40 -16.519 -7.641 1.238 277 3HD2 LEU 40 3HD2 LEU 40 -16.027 -7.846 -0.461 278 H GLU 41 H GLU 41 -10.227 -8.191 0.786 279 HA GLU 41 HA GLU 41 -9.247 -8.725 -1.732 280 2HB GLU 41 2HB GLU 41 -7.799 -8.713 0.953 281 2HG GLU 41 2HG GLU 41 -6.302 -7.781 -1.383 282 HE2 GLU 41 HE GLU 41 -5.920 -7.907 1.435 283 H SER 42 H SER 42 -9.118 -10.730 1.296 284 HA SER 42 HA SER 42 -7.741 -12.834 0.228 285 2HB SER 42 2HB SER 42 -9.981 -13.156 2.260 286 HG SER 42 HG SER 42 -8.081 -14.461 3.213 287 H MET 43 H MET 43 -11.302 -12.183 0.314 288 HA MET 43 HA MET 43 -12.002 -14.613 -0.868 289 2HB MET 43 2HB MET 43 -14.169 -13.217 -1.392 290 2HG MET 43 2HG MET 43 -13.586 -12.817 1.506 291 1HE MET 43 1HE MET 43 -14.924 -14.976 2.707 292 2HE MET 43 2HE MET 43 -16.665 -15.165 2.392 293 3HE MET 43 3HE MET 43 -15.484 -16.104 1.449 294 H GLY 44 H GLY 44 -11.555 -11.272 -2.208 295 1HA GLY 44 1HA GLY 44 -10.454 -11.031 -4.319 296 2HA GLY 44 2HA GLY 44 -11.221 -12.506 -4.870 297 H LYS 45 H LYS 45 -12.559 -9.624 -3.107 298 HA LYS 45 HA LYS 45 -14.612 -9.481 -5.184 299 2HB LYS 45 2HB LYS 45 -16.041 -8.557 -3.598 300 2HG LYS 45 2HG LYS 45 -15.698 -9.911 -1.472 301 2HD LYS 45 2HD LYS 45 -15.070 -11.817 -3.695 302 2HE LYS 45 2HE LYS 45 -16.918 -11.570 -1.357 303 1HZ LYS 45 1HZ LYS 45 -18.720 -12.392 -2.394 304 2HZ LYS 45 2HZ LYS 45 -18.030 -12.068 -3.834 305 H ALA 46 H ALA 46 -12.591 -7.263 -3.127 306 HA ALA 46 HA ALA 46 -12.847 -5.242 -5.200 307 1HB ALA 46 1HB ALA 46 -11.662 -5.244 -2.396 308 2HB ALA 46 2HB ALA 46 -11.686 -3.828 -3.474 309 3HB ALA 46 3HB ALA 46 -13.215 -4.540 -2.907 310 H VAL 47 H VAL 47 -10.569 -3.896 -5.336 311 HA VAL 47 HA VAL 47 -8.427 -5.851 -5.707 312 HB VAL 47 HB VAL 47 -7.914 -4.709 -7.885 313 1HG1 VAL 47 1HG1 VAL 47 -9.039 -6.324 -9.028 314 2HG1 VAL 47 2HG1 VAL 47 -9.382 -6.911 -7.383 315 3HG1 VAL 47 3HG1 VAL 47 -10.596 -5.946 -8.254 316 1HG2 VAL 47 1HG2 VAL 47 -10.765 -3.856 -8.108 317 2HG2 VAL 47 2HG2 VAL 47 -9.666 -2.810 -7.178 318 3HG2 VAL 47 3HG2 VAL 47 -9.303 -3.193 -8.878 319 H ARG 48 H ARG 48 -6.263 -4.809 -5.839 320 HA ARG 48 HA ARG 48 -6.251 -2.576 -4.046 321 2HB ARG 48 2HB ARG 48 -3.857 -4.023 -5.278 322 2HG ARG 48 2HG ARG 48 -3.833 -1.755 -3.781 323 2HD ARG 48 2HD ARG 48 -4.398 -4.013 -1.913 324 HE ARG 48 HE ARG 48 -1.979 -2.343 -1.579 325 1HH1 ARG 48 2HH2 ARG 48 -4.360 -4.460 -0.028 326 2HH1 ARG 48 1HH2 ARG 48 -3.350 -4.801 1.338 327 2HH2 ARG 48 1HH ARG 48 -1.172 -3.810 1.465 328 H ILE 49 H ILE 49 -5.453 -0.478 -4.549 329 HA ILE 49 HA ILE 49 -4.824 -0.065 -7.390 330 HB ILE 49 HB ILE 49 -6.495 1.545 -5.479 331 2HG1 ILE 49 2HG1 ILE 49 -8.095 1.473 -7.392 332 1HG2 ILE 49 1HG2 ILE 49 -6.500 3.396 -7.016 333 2HG2 ILE 49 2HG2 ILE 49 -4.821 3.041 -6.545 334 3HG2 ILE 49 3HG2 ILE 49 -5.427 2.527 -8.138 335 1HD1 ILE 49 1HD1 ILE 49 -7.674 0.307 -9.344 336 2HD1 ILE 49 2HD1 ILE 49 -6.007 0.808 -8.976 337 3HD1 ILE 49 3HD1 ILE 49 -6.560 -0.830 -8.549 338 H GLN 50 H GLN 50 -3.233 1.587 -7.871 339 HA GLN 50 HA GLN 50 -1.478 2.006 -5.580 340 2HB GLN 50 2HB GLN 50 -0.886 1.594 -8.532 341 2HG GLN 50 2HG GLN 50 0.867 2.769 -6.340 342 1HE2 GLN 50 1HE2 GLN 50 3.028 2.566 -6.429 343 2HE2 GLN 50 2HE2 GLN 50 3.889 1.475 -7.463 344 H GLU 51 H GLU 51 -0.289 4.084 -5.492 345 HA GLU 51 HA GLU 51 -1.879 6.167 -6.761 346 2HB GLU 51 2HB GLU 51 -0.340 7.412 -4.799 347 2HG GLU 51 2HG GLU 51 -2.791 6.455 -3.612 348 HE2 GLU 51 HE GLU 51 -3.441 9.077 -5.714 349 H GLU 52 H GLU 52 -0.574 8.267 -7.230 350 HA GLU 52 HA GLU 52 1.235 7.791 -9.156 351 2HB GLU 52 2HB GLU 52 2.035 10.220 -8.622 352 2HG GLU 52 2HG GLU 52 -0.749 10.730 -8.857 353 HE2 GLU 52 HE GLU 52 0.263 9.264 -11.628 354 HA PRO 53 HA PRO 53 4.644 6.470 -6.676 355 2HB PRO 53 2HB PRO 53 4.819 4.440 -7.749 356 2HG PRO 53 2HG PRO 53 3.636 4.289 -9.724 357 2HD PRO 53 2HD PRO 53 2.030 5.894 -9.360 358 H ASP 54 H ASP 54 7.262 6.342 -7.614 359 HA ASP 54 HA ASP 54 7.751 9.155 -7.596 360 2HB ASP 54 2HB ASP 54 9.936 7.119 -8.014 361 HD2 ASP 54 HD ASP 54 11.787 9.119 -5.705 362 H GLY 55 H GLY 55 9.475 10.042 -9.221 363 1HA GLY 55 1HA GLY 55 9.414 8.654 -11.813 364 2HA GLY 55 2HA GLY 55 8.799 10.292 -11.707 365 H CYS 56 H CYS 56 11.679 8.225 -11.572 366 HA CYS 56 HA CYS 56 13.328 10.288 -12.467 367 2HB CYS 56 2HB CYS 56 14.093 9.557 -9.648 368 HG CYS 56 HG CYS 56 16.076 10.756 -10.108 369 H LEU 57 H LEU 57 15.509 9.414 -12.921 370 HA LEU 57 HA LEU 57 15.502 6.765 -13.663 371 2HB LEU 57 2HB LEU 57 18.150 7.317 -13.418 372 HG LEU 57 HG LEU 57 18.145 8.257 -15.661 373 1HD1 LEU 57 1HD1 LEU 57 15.994 6.208 -15.883 374 2HD1 LEU 57 2HD1 LEU 57 17.558 6.334 -16.723 375 3HD1 LEU 57 3HD1 LEU 57 17.494 5.749 -15.044 376 1HD2 LEU 57 1HD2 LEU 57 15.759 9.440 -14.961 377 2HD2 LEU 57 2HD2 LEU 57 16.463 9.389 -16.596 378 3HD2 LEU 57 3HD2 LEU 57 15.252 8.177 -16.109 379 H SER 58 H SER 58 15.585 4.895 -12.548 380 HA SER 58 HA SER 58 16.705 5.073 -9.861 381 2HB SER 58 2HB SER 58 14.287 4.574 -9.866 382 HG SER 58 HG SER 58 13.448 2.774 -10.899 383 H GLY 59 H GLY 59 18.826 4.371 -10.110 384 1HA GLY 59 1HA GLY 59 20.521 2.933 -10.447 385 2HA GLY 59 2HA GLY 59 19.340 1.644 -10.569 386 H SER 60 H SER 60 21.764 1.874 -12.164 387 HA SER 60 HA SER 60 20.564 2.394 -14.772 388 2HB SER 60 2HB SER 60 23.250 2.336 -15.292 389 HG SER 60 HG SER 60 22.473 4.819 -14.265 390 H CYS 61 H CYS 61 20.040 0.518 -15.829 391 HA CYS 61 HA CYS 61 20.295 -1.479 -16.735 392 2HB CYS 61 2HB CYS 61 22.742 -2.492 -15.574 393 HG CYS 61 HG CYS 61 22.688 -1.154 -18.520 394 H LYS 62 H LYS 62 21.892 -1.604 -13.456 395 HA LYS 62 HA LYS 62 20.286 -3.913 -12.791 396 2HB LYS 62 2HB LYS 62 22.101 -2.604 -10.815 397 2HG LYS 62 2HG LYS 62 20.763 -4.920 -10.733 398 2HD LYS 62 2HD LYS 62 23.125 -5.421 -12.546 399 2HE LYS 62 2HE LYS 62 22.322 -7.944 -11.569 400 1HZ LYS 62 1HZ LYS 62 24.726 -6.928 -10.392 401 2HZ LYS 62 2HZ LYS 62 24.554 -8.118 -11.490 402 H SER 63 H SER 63 18.676 -3.995 -11.191 403 HA SER 63 HA SER 63 17.663 -1.355 -10.509 404 2HB SER 63 2HB SER 63 15.507 -2.701 -10.028 405 HG SER 63 HG SER 63 15.879 -1.493 -12.042 406 H CYS 64 H CYS 64 16.441 -1.300 -8.301 407 HA CYS 64 HA CYS 64 18.261 -2.361 -6.347 408 2HB CYS 64 2HB CYS 64 16.251 -1.086 -4.941 409 HG CYS 64 HG CYS 64 18.127 1.139 -5.991 410 HA PRO 65 HA PRO 65 15.647 -5.589 -5.030 411 2HB PRO 65 2HB PRO 65 17.096 -6.268 -3.375 412 2HG PRO 65 2HG PRO 65 18.482 -4.610 -2.568 413 2HD PRO 65 2HD PRO 65 18.496 -3.178 -4.368 414 H GLU 66 H GLU 66 14.058 -6.085 -2.797 415 HA GLU 66 HA GLU 66 12.115 -3.934 -3.116 416 2HB GLU 66 2HB GLU 66 11.310 -5.792 -4.446 417 2HG GLU 66 2HG GLU 66 10.859 -7.832 -2.486 418 HE2 GLU 66 HE GLU 66 11.332 -9.466 -5.457 419 H GLY 67 H GLY 67 12.084 -2.898 -1.161 420 1HA GLY 67 1HA GLY 67 11.114 -4.126 1.148 421 2HA GLY 67 2HA GLY 67 12.862 -4.106 1.267 422 H LYS 68 H LYS 68 10.012 -1.985 0.570 423 HA LYS 68 HA LYS 68 11.046 0.019 2.305 424 2HB LYS 68 2HB LYS 68 12.463 0.519 0.397 425 2HG LYS 68 2HG LYS 68 10.344 -0.361 -1.169 426 2HD LYS 68 2HD LYS 68 10.582 2.416 -2.162 427 2HE LYS 68 2HE LYS 68 7.877 1.534 -1.715 428 1HZ LYS 68 1HZ LYS 68 9.463 2.490 -3.786 429 2HZ LYS 68 2HZ LYS 68 8.840 1.092 -4.339 430 H ALA 69 H ALA 69 9.446 1.682 2.735 431 HA ALA 69 HA ALA 69 6.883 0.771 2.873 432 1HB ALA 69 1HB ALA 69 7.725 3.682 2.597 433 2HB ALA 69 2HB ALA 69 6.299 3.046 3.451 434 3HB ALA 69 3HB ALA 69 7.932 2.722 4.081 435 H CYS 70 H CYS 70 5.363 0.297 1.373 436 HA CYS 70 HA CYS 70 5.790 1.097 -1.328 437 2HB CYS 70 2HB CYS 70 3.602 -0.137 -1.697 438 HG CYS 70 HG CYS 70 5.275 -1.684 -2.420 439 H LEU 71 H LEU 71 4.277 2.424 -2.594 440 HA LEU 71 HA LEU 71 3.531 4.770 -1.337 441 2HB LEU 71 2HB LEU 71 2.049 4.919 -3.514 442 HG LEU 71 HG LEU 71 3.954 5.512 -4.897 443 1HD1 LEU 71 1HD1 LEU 71 5.170 6.761 -2.686 444 2HD1 LEU 71 2HD1 LEU 71 3.911 7.415 -3.761 445 3HD1 LEU 71 3HD1 LEU 71 3.452 6.566 -2.265 446 1HD2 LEU 71 1HD2 LEU 71 6.164 4.965 -4.498 447 2HD2 LEU 71 2HD2 LEU 71 5.884 4.629 -2.772 448 3HD2 LEU 71 3HD2 LEU 71 5.315 3.480 -4.006 449 H ARG 72 H ARG 72 1.288 5.698 -1.139 450 HA ARG 72 HA ARG 72 -0.189 4.064 0.531 451 2HB ARG 72 2HB ARG 72 -1.956 6.080 -0.310 452 2HG ARG 72 2HG ARG 72 -0.138 7.196 1.619 453 2HD ARG 72 2HD ARG 72 -2.195 5.998 3.059 454 HE ARG 72 HE ARG 72 -2.973 8.476 1.751 455 1HH1 ARG 72 2HH2 ARG 72 -0.697 7.104 4.094 456 2HH1 ARG 72 1HH2 ARG 72 -0.451 8.606 4.921 457 2HH2 ARG 72 1HH ARG 72 -1.610 10.564 4.169 458 H GLU 73 H GLU 73 -0.775 2.104 -0.575 459 HA GLU 73 HA GLU 73 -1.925 2.086 -3.097 460 2HB GLU 73 2HB GLU 73 -2.656 -0.254 -2.442 461 2HG GLU 73 2HG GLU 73 0.017 0.838 -2.607 462 HE2 GLU 73 HE GLU 73 0.423 -2.455 -0.478 463 H TRP 74 H TRP 74 -4.086 2.069 -3.828 464 HA TRP 74 HA TRP 74 -6.018 2.966 -1.815 465 2HB TRP 74 2HB TRP 74 -7.280 3.553 -4.041 466 HD1 TRP 74 HD TRP 74 -5.589 4.816 -1.227 467 HE1 TRP 74 1HE TRP 74 -5.203 7.427 -1.159 468 HE3 TRP 74 3HE TRP 74 -6.361 5.589 -6.194 469 HZ2 TRP 74 2HZ TRP 74 -5.262 9.475 -3.145 470 HZ3 TRP 74 3HZ TRP 74 -6.179 7.924 -7.048 471 HH2 TRP 74 HH TRP 74 -5.650 9.831 -5.612 472 H TRP 75 H TRP 75 -8.385 2.212 -2.497 473 HA TRP 75 HA TRP 75 -8.210 -0.616 -3.286 474 2HB TRP 75 2HB TRP 75 -10.133 -0.972 -1.703 475 HD1 TRP 75 HD TRP 75 -7.668 0.928 0.527 476 HE1 TRP 75 1HE TRP 75 -6.032 -0.714 1.787 477 HE3 TRP 75 3HE TRP 75 -9.040 -3.245 -2.035 478 HZ2 TRP 75 2HZ TRP 75 -5.506 -3.512 1.575 479 HZ3 TRP 75 3HZ TRP 75 -7.916 -5.390 -1.447 480 HH2 TRP 75 HH TRP 75 -6.205 -5.565 0.289 481 H ALA 76 H ALA 76 -10.037 -1.383 -4.533 482 HA ALA 76 HA ALA 76 -12.110 0.485 -5.219 483 1HB ALA 76 1HB ALA 76 -9.754 0.576 -6.722 484 2HB ALA 76 2HB ALA 76 -10.838 -0.460 -7.682 485 3HB ALA 76 3HB ALA 76 -11.351 1.182 -7.224 486 H LEU 77 H LEU 77 -13.517 -0.650 -7.069 487 HA LEU 77 HA LEU 77 -13.941 -3.335 -6.074 488 2HB LEU 77 2HB LEU 77 -16.056 -3.209 -7.171 489 HG LEU 77 HG LEU 77 -15.678 -0.387 -6.173 490 1HD1 LEU 77 1HD1 LEU 77 -18.047 -2.191 -5.720 491 2HD1 LEU 77 2HD1 LEU 77 -17.953 -0.413 -5.674 492 3HD1 LEU 77 3HD1 LEU 77 -17.858 -1.270 -7.232 493 1HD2 LEU 77 1HD2 LEU 77 -16.218 -1.318 -3.888 494 2HD2 LEU 77 2HD2 LEU 77 -15.836 -2.930 -4.542 495 3HD2 LEU 77 3HD2 LEU 77 -14.583 -1.665 -4.502 496 H ARG 78 H ARG 78 -14.292 -5.162 -7.591 497 HA ARG 78 HA ARG 78 -12.132 -5.296 -9.359 498 2HB ARG 78 2HB ARG 78 -14.524 -7.122 -8.843 499 2HG ARG 78 2HG ARG 78 -13.602 -7.390 -11.205 500 2HD ARG 78 2HD ARG 78 -11.158 -8.642 -9.948 501 HE ARG 78 HE ARG 78 -12.031 -7.891 -12.636 502 1HH1 ARG 78 2HH2 ARG 78 -9.197 -8.549 -10.615 503 2HH1 ARG 78 1HH2 ARG 78 -8.181 -8.958 -11.957 504 2HH2 ARG 78 1HH ARG 78 -9.081 -8.882 -14.177 Start of MODEL 4 1 1H MET 1 H MET 1 -26.362 3.938 10.251 2 HA MET 1 HA MET 1 -23.974 3.282 11.795 3 2HB MET 1 2HB MET 1 -24.956 0.844 11.067 4 2HG MET 1 2HG MET 1 -24.920 2.349 13.427 5 1HE MET 1 1HE MET 1 -28.234 0.192 12.308 6 2HE MET 1 2HE MET 1 -27.374 -0.269 13.796 7 3HE MET 1 3HE MET 1 -28.986 0.477 13.896 8 H ALA 2 H ALA 2 -22.381 1.812 10.746 9 HA ALA 2 HA ALA 2 -22.018 2.576 7.999 10 1HB ALA 2 1HB ALA 2 -20.422 1.050 10.073 11 2HB ALA 2 2HB ALA 2 -19.906 1.122 8.370 12 3HB ALA 2 3HB ALA 2 -20.059 2.620 9.318 13 H SER 3 H SER 3 -21.036 0.584 6.583 14 HA SER 3 HA SER 3 -22.211 -1.903 6.994 15 2HB SER 3 2HB SER 3 -24.352 -1.209 6.412 16 HG SER 3 HG SER 3 -23.108 0.972 5.465 17 H LEU 4 H LEU 4 -21.797 -3.374 5.065 18 HA LEU 4 HA LEU 4 -19.310 -2.631 3.870 19 2HB LEU 4 2HB LEU 4 -20.417 -5.028 2.771 20 HG LEU 4 HG LEU 4 -18.284 -4.592 4.879 21 1HD1 LEU 4 1HD1 LEU 4 -18.658 -7.132 3.302 22 2HD1 LEU 4 2HD1 LEU 4 -17.703 -6.849 4.778 23 3HD1 LEU 4 3HD1 LEU 4 -19.481 -6.871 4.858 24 1HD2 LEU 4 1HD2 LEU 4 -18.314 -4.356 1.982 25 2HD2 LEU 4 2HD2 LEU 4 -17.065 -3.883 3.159 26 3HD2 LEU 4 3HD2 LEU 4 -17.119 -5.551 2.539 27 H ILE 5 H ILE 5 -22.740 -2.811 2.909 28 HA ILE 5 HA ILE 5 -22.315 -2.671 0.145 29 HB ILE 5 HB ILE 5 -24.678 -1.620 1.698 30 2HG1 ILE 5 2HG1 ILE 5 -25.598 -3.955 1.347 31 1HG2 ILE 5 1HG2 ILE 5 -24.953 -0.982 -0.528 32 2HG2 ILE 5 2HG2 ILE 5 -24.232 -2.483 -1.153 33 3HG2 ILE 5 3HG2 ILE 5 -25.851 -2.514 -0.412 34 1HD1 ILE 5 1HD1 ILE 5 -24.113 -5.766 0.940 35 2HD1 ILE 5 2HD1 ILE 5 -23.645 -4.552 -0.273 36 3HD1 ILE 5 3HD1 ILE 5 -22.672 -4.756 1.202 37 H GLN 6 H GLN 6 -22.101 -0.300 2.745 38 HA GLN 6 HA GLN 6 -22.452 1.950 1.111 39 2HB GLN 6 2HB GLN 6 -20.932 2.861 3.221 40 2HG GLN 6 2HG GLN 6 -23.742 2.170 3.938 41 1HE2 GLN 6 1HE2 GLN 6 -21.351 3.293 5.125 42 2HE2 GLN 6 2HE2 GLN 6 -21.693 4.936 5.554 43 H VAL 7 H VAL 7 -19.494 0.345 2.492 44 HA VAL 7 HA VAL 7 -17.681 2.025 1.179 45 HB VAL 7 HB VAL 7 -17.108 0.725 3.128 46 1HG1 VAL 7 1HG1 VAL 7 -17.478 -1.736 1.386 47 2HG1 VAL 7 2HG1 VAL 7 -16.854 -1.718 3.052 48 3HG1 VAL 7 3HG1 VAL 7 -18.535 -1.232 2.725 49 1HG2 VAL 7 1HG2 VAL 7 -15.208 -0.720 1.597 50 2HG2 VAL 7 2HG2 VAL 7 -15.573 0.771 0.694 51 3HG2 VAL 7 3HG2 VAL 7 -15.012 0.867 2.380 52 H ARG 8 H ARG 8 -19.423 -0.943 0.218 53 HA ARG 8 HA ARG 8 -17.840 -1.453 -2.016 54 2HB ARG 8 2HB ARG 8 -20.163 -2.627 -2.731 55 2HG ARG 8 2HG ARG 8 -19.084 -3.824 -0.221 56 2HD ARG 8 2HD ARG 8 -20.214 -4.690 -2.698 57 HE ARG 8 HE ARG 8 -17.315 -5.049 -2.687 58 1HH1 ARG 8 2HH2 ARG 8 -20.376 -6.521 -3.693 59 2HH1 ARG 8 1HH2 ARG 8 -19.653 -7.462 -4.955 60 2HH2 ARG 8 1HH ARG 8 -17.289 -7.311 -5.322 61 H ASP 9 H ASP 9 -20.848 0.452 -1.449 62 HA ASP 9 HA ASP 9 -21.268 0.976 -4.178 63 2HB ASP 9 2HB ASP 9 -22.216 2.707 -1.860 64 HD2 ASP 9 HD ASP 9 -24.622 4.011 -3.872 65 H LEU 10 H LEU 10 -19.832 2.761 -1.363 66 HA LEU 10 HA LEU 10 -19.332 5.161 -2.660 67 2HB LEU 10 2HB LEU 10 -17.306 4.903 -0.814 68 HG LEU 10 HG LEU 10 -18.761 5.987 0.821 69 1HD1 LEU 10 1HD1 LEU 10 -19.624 7.368 -1.653 70 2HD1 LEU 10 2HD1 LEU 10 -18.737 7.979 -0.237 71 3HD1 LEU 10 3HD1 LEU 10 -17.879 7.055 -1.494 72 1HD2 LEU 10 1HD2 LEU 10 -20.809 4.814 0.634 73 2HD2 LEU 10 2HD2 LEU 10 -21.147 6.494 0.152 74 3HD2 LEU 10 3HD2 LEU 10 -20.977 5.229 -1.089 75 H LEU 11 H LEU 11 -17.251 2.220 -2.274 76 HA LEU 11 HA LEU 11 -15.042 3.221 -3.603 77 2HB LEU 11 2HB LEU 11 -14.865 0.615 -4.164 78 HG LEU 11 HG LEU 11 -14.605 1.804 -1.391 79 1HD1 LEU 11 1HD1 LEU 11 -14.602 -0.349 -0.727 80 2HD1 LEU 11 2HD1 LEU 11 -14.248 -0.971 -2.356 81 3HD1 LEU 11 3HD1 LEU 11 -12.934 -0.318 -1.348 82 1HD2 LEU 11 1HD2 LEU 11 -12.590 1.291 -3.593 83 2HD2 LEU 11 2HD2 LEU 11 -13.125 2.865 -2.957 84 3HD2 LEU 11 3HD2 LEU 11 -12.174 1.766 -1.929 85 H ALA 12 H ALA 12 -18.189 2.187 -4.795 86 HA ALA 12 HA ALA 12 -17.226 1.932 -7.509 87 1HB ALA 12 1HB ALA 12 -19.428 0.983 -5.980 88 2HB ALA 12 2HB ALA 12 -20.102 2.032 -7.250 89 3HB ALA 12 3HB ALA 12 -19.064 0.654 -7.691 90 H LEU 13 H LEU 13 -19.645 4.003 -5.744 91 HA LEU 13 HA LEU 13 -20.024 5.798 -7.811 92 2HB LEU 13 2HB LEU 13 -20.558 7.348 -5.745 93 HG LEU 13 HG LEU 13 -22.734 6.428 -5.473 94 1HD1 LEU 13 1HD1 LEU 13 -21.740 7.143 -7.898 95 2HD1 LEU 13 2HD1 LEU 13 -22.401 5.531 -8.265 96 3HD1 LEU 13 3HD1 LEU 13 -23.454 6.787 -7.572 97 1HD2 LEU 13 1HD2 LEU 13 -23.400 4.209 -6.020 98 2HD2 LEU 13 2HD2 LEU 13 -21.829 3.853 -6.777 99 3HD2 LEU 13 3HD2 LEU 13 -21.935 4.089 -5.016 100 H ARG 14 H ARG 14 -17.871 6.170 -4.902 101 HA ARG 14 HA ARG 14 -16.658 8.436 -6.043 102 2HB ARG 14 2HB ARG 14 -14.944 7.928 -4.089 103 2HG ARG 14 2HG ARG 14 -16.501 9.682 -3.698 104 2HD ARG 14 2HD ARG 14 -18.671 7.528 -3.664 105 HE ARG 14 HE ARG 14 -18.718 10.343 -2.769 106 1HH1 ARG 14 2HH2 ARG 14 -20.619 7.534 -3.792 107 2HH1 ARG 14 1HH2 ARG 14 -22.088 8.113 -3.079 108 2HH2 ARG 14 1HH ARG 14 -22.087 10.217 -1.931 109 H GLY 15 H GLY 15 -16.357 5.072 -6.594 110 1HA GLY 15 1HA GLY 15 -14.960 3.895 -7.914 111 2HA GLY 15 2HA GLY 15 -14.166 5.389 -8.370 112 H ARG 16 H ARG 16 -12.025 4.589 -8.222 113 HA ARG 16 HA ARG 16 -11.144 3.123 -6.038 114 2HB ARG 16 2HB ARG 16 -9.863 3.009 -8.070 115 2HG ARG 16 2HG ARG 16 -10.208 5.962 -8.011 116 2HD ARG 16 2HD ARG 16 -7.523 4.717 -8.349 117 HE ARG 16 HE ARG 16 -8.617 5.606 -10.719 118 1HH1 ARG 16 2HH2 ARG 16 -6.076 6.895 -8.611 119 2HH1 ARG 16 1HH2 ARG 16 -5.219 7.662 -9.907 120 2HH2 ARG 16 1HH ARG 16 -6.065 7.485 -12.141 121 H MET 17 H MET 17 -10.705 3.799 -3.960 122 HA MET 17 HA MET 17 -9.552 6.391 -3.577 123 2HB MET 17 2HB MET 17 -11.404 6.798 -1.724 124 2HG MET 17 2HG MET 17 -12.914 7.888 -3.384 125 1HE MET 17 1HE MET 17 -11.914 9.017 -5.845 126 2HE MET 17 2HE MET 17 -10.589 10.191 -5.664 127 3HE MET 17 3HE MET 17 -10.233 8.514 -6.145 128 H GLU 18 H GLU 18 -9.330 6.722 -0.984 129 HA GLU 18 HA GLU 18 -8.149 4.239 -0.112 130 2HB GLU 18 2HB GLU 18 -7.954 6.782 1.487 131 2HG GLU 18 2HG GLU 18 -5.432 5.613 0.928 132 HE2 GLU 18 HE GLU 18 -6.853 3.858 3.569 133 H ALA 19 H ALA 19 -8.362 3.687 2.317 134 HA ALA 19 HA ALA 19 -11.108 3.383 2.893 135 1HB ALA 19 1HB ALA 19 -8.573 2.894 4.506 136 2HB ALA 19 2HB ALA 19 -10.201 2.389 5.020 137 3HB ALA 19 3HB ALA 19 -9.483 1.706 3.542 138 H ALA 20 H ALA 20 -8.522 5.622 3.982 139 HA ALA 20 HA ALA 20 -9.696 6.717 6.186 140 1HB ALA 20 1HB ALA 20 -8.343 8.700 5.671 141 2HB ALA 20 2HB ALA 20 -7.425 7.218 5.312 142 3HB ALA 20 3HB ALA 20 -8.154 8.156 3.987 143 H GLN 21 H GLN 21 -10.432 7.265 2.715 144 HA GLN 21 HA GLN 21 -12.179 9.414 3.268 145 2HB GLN 21 2HB GLN 21 -12.933 8.592 0.780 146 2HG GLN 21 2HG GLN 21 -10.453 9.799 0.281 147 1HE2 GLN 21 1HE2 GLN 21 -13.531 10.552 1.906 148 2HE2 GLN 21 2HE2 GLN 21 -14.103 11.723 0.764 149 H ILE 22 H ILE 22 -12.638 5.928 2.356 150 HA ILE 22 HA ILE 22 -15.406 5.948 2.400 151 HB ILE 22 HB ILE 22 -13.478 3.714 3.040 152 2HG1 ILE 22 2HG1 ILE 22 -13.385 5.057 0.777 153 1HG2 ILE 22 1HG2 ILE 22 -16.372 3.819 3.063 154 2HG2 ILE 22 2HG2 ILE 22 -15.777 2.679 1.831 155 3HG2 ILE 22 3HG2 ILE 22 -15.271 2.498 3.528 156 1HD1 ILE 22 1HD1 ILE 22 -12.448 3.152 -0.221 157 2HD1 ILE 22 2HD1 ILE 22 -12.377 2.718 1.503 158 3HD1 ILE 22 3HD1 ILE 22 -13.673 2.063 0.474 159 H SER 23 H SER 23 -13.044 5.172 5.041 160 HA SER 23 HA SER 23 -14.874 4.563 6.957 161 2HB SER 23 2HB SER 23 -12.411 4.291 7.180 162 HG SER 23 HG SER 23 -11.747 6.386 6.384 163 H GLN 24 H GLN 24 -13.648 7.772 5.872 164 HA GLN 24 HA GLN 24 -14.803 9.250 7.909 165 2HB GLN 24 2HB GLN 24 -14.793 10.898 5.619 166 2HG GLN 24 2HG GLN 24 -12.188 10.973 6.697 167 1HE2 GLN 24 1HE2 GLN 24 -13.176 12.800 5.381 168 2HE2 GLN 24 2HE2 GLN 24 -13.868 14.123 6.260 169 H THR 25 H THR 25 -16.033 8.226 4.670 170 HA THR 25 HA THR 25 -18.339 9.666 4.515 171 HB THR 25 HB THR 25 -17.914 6.713 3.813 172 HG1 THR 25 1HG THR 25 -16.753 7.616 2.103 173 1HG2 THR 25 1HG2 THR 25 -20.207 8.298 3.468 174 2HG2 THR 25 2HG2 THR 25 -19.329 8.503 1.934 175 3HG2 THR 25 3HG2 THR 25 -19.782 6.874 2.489 176 H LEU 26 H LEU 26 -17.697 6.790 6.561 177 HA LEU 26 HA LEU 26 -20.363 7.214 7.719 178 2HB LEU 26 2HB LEU 26 -20.652 5.083 7.194 179 HG LEU 26 HG LEU 26 -17.670 4.891 6.836 180 1HD1 LEU 26 1HD1 LEU 26 -18.160 2.875 8.023 181 2HD1 LEU 26 2HD1 LEU 26 -19.607 2.574 7.032 182 3HD1 LEU 26 3HD1 LEU 26 -17.990 2.468 6.298 183 1HD2 LEU 26 1HD2 LEU 26 -19.486 3.802 4.802 184 2HD2 LEU 26 2HD2 LEU 26 -19.704 5.540 5.115 185 3HD2 LEU 26 3HD2 LEU 26 -18.105 4.914 4.642 186 H ASN 27 H ASN 27 -17.776 8.686 8.238 187 HA ASN 27 HA ASN 27 -16.415 9.200 9.883 188 2HB ASN 27 2HB ASN 27 -18.335 8.919 12.085 189 1HD2 ASN 27 1HD2 ASN 27 -18.728 10.951 13.059 190 2HD2 ASN 27 2HD2 ASN 27 -17.707 12.318 12.758 191 H THR 28 H THR 28 -16.512 6.285 9.343 192 HA THR 28 HA THR 28 -16.513 4.997 11.935 193 HB THR 28 HB THR 28 -17.026 4.252 9.258 194 HG1 THR 28 1HG THR 28 -17.834 3.357 11.319 195 1HG2 THR 28 1HG2 THR 28 -14.644 3.819 8.794 196 2HG2 THR 28 2HG2 THR 28 -14.466 2.967 10.347 197 3HG2 THR 28 3HG2 THR 28 -15.463 2.260 9.053 198 HA PRO 29 HA PRO 29 -12.293 5.162 12.682 199 2HB PRO 29 2HB PRO 29 -12.505 4.088 14.708 200 2HG PRO 29 2HG PRO 29 -14.357 2.724 14.885 201 2HD PRO 29 2HD PRO 29 -15.729 3.693 13.316 202 H GLN 30 H GLN 30 -10.363 5.084 11.661 203 HA GLN 30 HA GLN 30 -10.230 4.040 9.205 204 2HB GLN 30 2HB GLN 30 -7.650 3.822 10.634 205 2HG GLN 30 2HG GLN 30 -7.215 5.797 8.985 206 1HE2 GLN 30 1HE2 GLN 30 -9.032 3.988 6.839 207 2HE2 GLN 30 2HE2 GLN 30 -7.871 2.787 6.380 208 HA PRO 31 HA PRO 31 -8.522 -0.018 10.977 209 2HB PRO 31 2HB PRO 31 -7.201 0.134 12.856 210 2HG PRO 31 2HG PRO 31 -7.512 2.052 14.099 211 2HD PRO 31 2HD PRO 31 -8.345 3.456 12.482 212 H MET 32 H MET 32 -10.924 0.420 9.960 213 HA MET 32 HA MET 32 -12.388 -1.688 11.289 214 2HB MET 32 2HB MET 32 -13.939 0.737 10.343 215 2HG MET 32 2HG MET 32 -14.517 -0.593 12.946 216 1HE MET 32 1HE MET 32 -16.867 -2.046 12.185 217 2HE MET 32 2HE MET 32 -17.566 -0.776 13.217 218 3HE MET 32 3HE MET 32 -18.267 -1.106 11.615 219 H ILE 33 H ILE 33 -12.177 0.631 8.519 220 HA ILE 33 HA ILE 33 -13.744 -1.064 6.833 221 HB ILE 33 HB ILE 33 -12.068 1.383 6.265 222 2HG1 ILE 33 2HG1 ILE 33 -14.091 2.635 6.357 223 1HG2 ILE 33 1HG2 ILE 33 -12.209 0.593 4.149 224 2HG2 ILE 33 2HG2 ILE 33 -13.625 -0.427 4.499 225 3HG2 ILE 33 3HG2 ILE 33 -13.830 1.323 4.242 226 1HD1 ILE 33 1HD1 ILE 33 -15.989 0.736 7.364 227 2HD1 ILE 33 2HD1 ILE 33 -16.085 1.691 5.865 228 3HD1 ILE 33 3HD1 ILE 33 -15.329 0.080 5.847 229 H ASN 34 H ASN 34 -10.270 -0.431 7.455 230 HA ASN 34 HA ASN 34 -9.203 -1.646 5.283 231 2HB ASN 34 2HB ASN 34 -7.303 -2.302 6.976 232 1HD2 ASN 34 1HD2 ASN 34 -7.493 0.348 8.674 233 2HD2 ASN 34 2HD2 ASN 34 -6.961 1.572 7.567 234 H ALA 35 H ALA 35 -10.497 -3.040 8.350 235 HA ALA 35 HA ALA 35 -9.605 -5.651 8.018 236 1HB ALA 35 1HB ALA 35 -12.057 -5.820 9.330 237 2HB ALA 35 2HB ALA 35 -10.476 -5.526 10.095 238 3HB ALA 35 3HB ALA 35 -11.522 -4.154 9.659 239 H MET 36 H MET 36 -12.627 -3.996 6.913 240 HA MET 36 HA MET 36 -13.736 -6.298 5.804 241 2HB MET 36 2HB MET 36 -15.339 -4.743 4.818 242 2HG MET 36 2HG MET 36 -14.837 -2.817 6.912 243 1HE MET 36 1HE MET 36 -17.795 -3.704 9.005 244 2HE MET 36 2HE MET 36 -16.242 -2.858 8.804 245 3HE MET 36 3HE MET 36 -17.680 -2.301 7.916 246 H LEU 37 H LEU 37 -11.822 -3.579 4.354 247 HA LEU 37 HA LEU 37 -11.943 -4.440 1.729 248 2HB LEU 37 2HB LEU 37 -9.727 -3.162 1.572 249 HG LEU 37 HG LEU 37 -12.264 -1.904 2.600 250 1HD1 LEU 37 1HD1 LEU 37 -9.704 -0.440 1.904 251 2HD1 LEU 37 2HD1 LEU 37 -11.292 0.315 2.177 252 3HD1 LEU 37 3HD1 LEU 37 -10.471 -0.537 3.506 253 1HD2 LEU 37 1HD2 LEU 37 -11.445 -0.886 0.091 254 2HD2 LEU 37 2HD2 LEU 37 -11.224 -2.652 0.033 255 3HD2 LEU 37 3HD2 LEU 37 -12.813 -1.967 0.453 256 H GLN 38 H GLN 38 -9.842 -5.449 4.453 257 HA GLN 38 HA GLN 38 -8.058 -6.904 2.901 258 2HB GLN 38 2HB GLN 38 -8.524 -8.017 5.585 259 2HG GLN 38 2HG GLN 38 -6.170 -6.290 4.876 260 1HE2 GLN 38 1HE2 GLN 38 -4.216 -7.300 5.606 261 2HE2 GLN 38 2HE2 GLN 38 -4.236 -8.422 6.926 262 H GLN 39 H GLN 39 -11.123 -7.812 4.589 263 HA GLN 39 HA GLN 39 -10.966 -10.514 4.087 264 2HB GLN 39 2HB GLN 39 -13.692 -9.333 3.998 265 2HG GLN 39 2HG GLN 39 -12.172 -11.345 5.705 266 1HE2 GLN 39 1HE2 GLN 39 -12.611 -10.153 7.640 267 2HE2 GLN 39 2HE2 GLN 39 -14.174 -10.210 8.386 268 H LEU 40 H LEU 40 -12.507 -7.852 2.169 269 HA LEU 40 HA LEU 40 -13.565 -9.449 0.170 270 2HB LEU 40 2HB LEU 40 -13.616 -7.404 -1.157 271 HG LEU 40 HG LEU 40 -14.300 -7.028 1.762 272 1HD1 LEU 40 1HD1 LEU 40 -15.639 -5.035 0.970 273 2HD1 LEU 40 2HD1 LEU 40 -13.873 -4.817 1.033 274 3HD1 LEU 40 3HD1 LEU 40 -14.681 -5.093 -0.529 275 1HD2 LEU 40 1HD2 LEU 40 -16.145 -7.304 -0.617 276 2HD2 LEU 40 2HD2 LEU 40 -15.564 -8.691 0.337 277 3HD2 LEU 40 3HD2 LEU 40 -16.544 -7.424 1.113 278 H GLU 41 H GLU 41 -10.288 -7.994 0.552 279 HA GLU 41 HA GLU 41 -9.344 -8.647 -1.937 280 2HB GLU 41 2HB GLU 41 -7.838 -8.534 0.713 281 2HG GLU 41 2HG GLU 41 -6.414 -7.639 -1.680 282 HE2 GLU 41 HE GLU 41 -5.202 -10.106 1.251 283 H SER 42 H SER 42 -9.108 -10.530 1.163 284 HA SER 42 HA SER 42 -7.742 -12.660 0.161 285 2HB SER 42 2HB SER 42 -9.964 -12.968 2.208 286 HG SER 42 HG SER 42 -8.785 -14.870 1.908 287 H MET 43 H MET 43 -11.322 -12.101 0.315 288 HA MET 43 HA MET 43 -11.989 -14.561 -0.804 289 2HB MET 43 2HB MET 43 -14.189 -13.219 -1.337 290 2HG MET 43 2HG MET 43 -13.595 -12.722 1.537 291 1HE MET 43 1HE MET 43 -15.705 -15.773 2.194 292 2HE MET 43 2HE MET 43 -14.806 -14.452 2.977 293 3HE MET 43 3HE MET 43 -16.583 -14.391 2.891 294 H GLY 44 H GLY 44 -11.497 -11.275 -2.236 295 1HA GLY 44 1HA GLY 44 -10.479 -11.065 -4.369 296 2HA GLY 44 2HA GLY 44 -11.215 -12.576 -4.867 297 H LYS 45 H LYS 45 -12.677 -9.742 -3.138 298 HA LYS 45 HA LYS 45 -14.687 -9.663 -5.261 299 2HB LYS 45 2HB LYS 45 -16.193 -8.824 -3.697 300 2HG LYS 45 2HG LYS 45 -15.851 -10.203 -1.589 301 2HD LYS 45 2HD LYS 45 -15.085 -12.193 -3.600 302 2HE LYS 45 2HE LYS 45 -17.718 -11.483 -2.219 303 1HZ LYS 45 1HZ LYS 45 -18.395 -12.867 -3.918 304 2HZ LYS 45 2HZ LYS 45 -16.961 -13.622 -4.076 305 H ALA 46 H ALA 46 -12.672 -7.465 -3.184 306 HA ALA 46 HA ALA 46 -13.032 -5.384 -5.191 307 1HB ALA 46 1HB ALA 46 -12.556 -3.893 -3.499 308 2HB ALA 46 2HB ALA 46 -13.182 -5.242 -2.522 309 3HB ALA 46 3HB ALA 46 -11.426 -5.004 -2.688 310 H VAL 47 H VAL 47 -10.887 -4.004 -5.513 311 HA VAL 47 HA VAL 47 -8.673 -5.894 -5.903 312 HB VAL 47 HB VAL 47 -8.195 -4.675 -8.017 313 1HG1 VAL 47 1HG1 VAL 47 -9.976 -5.788 -9.341 314 2HG1 VAL 47 2HG1 VAL 47 -9.287 -6.845 -8.085 315 3HG1 VAL 47 3HG1 VAL 47 -10.878 -6.087 -7.835 316 1HG2 VAL 47 1HG2 VAL 47 -10.882 -3.399 -7.430 317 2HG2 VAL 47 2HG2 VAL 47 -9.319 -2.593 -7.711 318 3HG2 VAL 47 3HG2 VAL 47 -10.143 -3.429 -9.050 319 H ARG 48 H ARG 48 -6.528 -4.891 -5.879 320 HA ARG 48 HA ARG 48 -6.535 -2.713 -4.022 321 2HB ARG 48 2HB ARG 48 -4.065 -4.037 -5.213 322 2HG ARG 48 2HG ARG 48 -4.480 -2.075 -3.216 323 2HD ARG 48 2HD ARG 48 -3.652 -4.752 -1.990 324 HE ARG 48 HE ARG 48 -3.135 -2.047 -1.146 325 1HH1 ARG 48 2HH2 ARG 48 -4.180 -5.179 0.141 326 2HH1 ARG 48 1HH2 ARG 48 -3.592 -4.859 1.739 327 2HH2 ARG 48 1HH ARG 48 -2.525 -2.762 2.198 328 H ILE 49 H ILE 49 -5.687 -0.614 -4.434 329 HA ILE 49 HA ILE 49 -4.964 -0.123 -7.239 330 HB ILE 49 HB ILE 49 -6.591 1.555 -5.333 331 2HG1 ILE 49 2HG1 ILE 49 -8.388 1.266 -6.861 332 1HG2 ILE 49 1HG2 ILE 49 -5.370 2.284 -8.003 333 2HG2 ILE 49 2HG2 ILE 49 -6.722 3.171 -7.260 334 3HG2 ILE 49 3HG2 ILE 49 -5.148 3.091 -6.433 335 1HD1 ILE 49 1HD1 ILE 49 -6.576 -0.403 -8.649 336 2HD1 ILE 49 2HD1 ILE 49 -8.222 0.185 -8.994 337 3HD1 ILE 49 3HD1 ILE 49 -6.861 1.331 -8.938 338 H GLN 50 H GLN 50 -3.340 1.527 -7.615 339 HA GLN 50 HA GLN 50 -1.675 1.881 -5.245 340 2HB GLN 50 2HB GLN 50 -0.944 1.486 -8.170 341 2HG GLN 50 2HG GLN 50 0.695 2.613 -5.874 342 1HE2 GLN 50 1HE2 GLN 50 2.956 3.163 -7.146 343 2HE2 GLN 50 2HE2 GLN 50 3.821 1.737 -7.617 344 H GLU 51 H GLU 51 -0.474 3.939 -5.072 345 HA GLU 51 HA GLU 51 -2.014 6.061 -6.314 346 2HB GLU 51 2HB GLU 51 -0.192 7.115 -4.383 347 2HG GLU 51 2HG GLU 51 -2.686 6.853 -3.132 348 HE2 GLU 51 HE GLU 51 -2.012 10.220 -3.115 349 H GLU 52 H GLU 52 -0.602 8.175 -6.707 350 HA GLU 52 HA GLU 52 1.135 7.566 -8.751 351 2HB GLU 52 2HB GLU 52 1.866 10.124 -8.092 352 2HG GLU 52 2HG GLU 52 -0.695 10.443 -9.218 353 HE2 GLU 52 HE GLU 52 0.314 11.949 -11.223 354 HA PRO 53 HA PRO 53 4.701 6.637 -6.379 355 2HB PRO 53 2HB PRO 53 5.194 4.798 -7.674 356 2HG PRO 53 2HG PRO 53 4.102 4.727 -9.703 357 2HD PRO 53 2HD PRO 53 2.274 6.038 -9.229 358 H ASP 54 H ASP 54 7.336 6.989 -7.205 359 HA ASP 54 HA ASP 54 7.736 9.478 -8.312 360 2HB ASP 54 2HB ASP 54 8.361 9.716 -5.389 361 HD2 ASP 54 HD ASP 54 9.098 12.717 -5.928 362 H GLY 55 H GLY 55 10.139 10.203 -7.828 363 1HA GLY 55 1HA GLY 55 12.228 9.547 -6.806 364 2HA GLY 55 2HA GLY 55 11.752 7.870 -6.988 365 H CYS 56 H CYS 56 13.406 10.526 -8.424 366 HA CYS 56 HA CYS 56 13.239 9.389 -11.087 367 2HB CYS 56 2HB CYS 56 13.024 11.827 -10.862 368 HG CYS 56 HG CYS 56 16.236 11.890 -10.213 369 H LEU 57 H LEU 57 15.060 8.430 -12.125 370 HA LEU 57 HA LEU 57 17.055 7.442 -10.294 371 2HB LEU 57 2HB LEU 57 17.123 6.870 -13.213 372 HG LEU 57 HG LEU 57 17.455 4.570 -12.515 373 1HD1 LEU 57 1HD1 LEU 57 19.655 4.744 -11.695 374 2HD1 LEU 57 2HD1 LEU 57 19.368 6.245 -12.608 375 3HD1 LEU 57 3HD1 LEU 57 19.306 6.259 -10.830 376 1HD2 LEU 57 1HD2 LEU 57 17.286 5.537 -9.648 377 2HD2 LEU 57 2HD2 LEU 57 15.999 4.652 -10.505 378 3HD2 LEU 57 3HD2 LEU 57 17.573 3.872 -10.212 379 H SER 58 H SER 58 18.735 8.736 -9.765 380 HA SER 58 HA SER 58 20.169 9.919 -11.968 381 2HB SER 58 2HB SER 58 20.410 12.068 -10.517 382 HG SER 58 HG SER 58 18.960 11.693 -12.506 383 H GLY 59 H GLY 59 21.715 8.214 -11.451 384 1HA GLY 59 1HA GLY 59 23.955 8.470 -10.372 385 2HA GLY 59 2HA GLY 59 23.085 8.593 -8.857 386 H SER 60 H SER 60 25.038 6.519 -10.155 387 HA SER 60 HA SER 60 23.345 4.231 -9.523 388 2HB SER 60 2HB SER 60 25.254 3.118 -11.135 389 HG SER 60 HG SER 60 23.313 4.159 -12.765 390 H CYS 61 H CYS 61 24.019 3.721 -7.447 391 HA CYS 61 HA CYS 61 26.903 3.345 -7.124 392 2HB CYS 61 2HB CYS 61 25.481 4.071 -4.654 393 HG CYS 61 HG CYS 61 27.598 4.762 -3.822 394 H LYS 62 H LYS 62 27.394 1.278 -6.419 395 HA LYS 62 HA LYS 62 25.505 -0.705 -6.336 396 2HB LYS 62 2HB LYS 62 28.222 -0.620 -4.991 397 2HG LYS 62 2HG LYS 62 26.593 -2.518 -4.332 398 2HD LYS 62 2HD LYS 62 27.194 -3.413 -7.188 399 2HE LYS 62 2HE LYS 62 25.024 -4.614 -5.512 400 1HZ LYS 62 1HZ LYS 62 25.876 -6.591 -6.625 401 2HZ LYS 62 2HZ LYS 62 25.639 -5.430 -7.741 402 H SER 63 H SER 63 24.376 -1.817 -4.692 403 HA SER 63 HA SER 63 23.363 -2.107 -2.789 404 2HB SER 63 2HB SER 63 24.572 -0.415 -0.860 405 HG SER 63 HG SER 63 24.054 -2.880 -0.973 406 H CYS 64 H CYS 64 21.341 -1.257 -2.450 407 HA CYS 64 HA CYS 64 21.083 1.531 -1.824 408 2HB CYS 64 2HB CYS 64 19.549 0.547 -4.237 409 HG CYS 64 HG CYS 64 20.037 3.470 -4.559 410 HA PRO 65 HA PRO 65 18.148 -1.040 0.338 411 2HB PRO 65 2HB PRO 65 19.202 -0.858 2.378 412 2HG PRO 65 2HG PRO 65 20.838 0.764 2.474 413 2HD PRO 65 2HD PRO 65 21.391 0.920 0.248 414 H GLU 66 H GLU 66 16.247 0.021 2.076 415 HA GLU 66 HA GLU 66 14.900 1.829 0.224 416 2HB GLU 66 2HB GLU 66 12.797 0.706 0.627 417 2HG GLU 66 2HG GLU 66 14.151 -1.848 0.448 418 HE2 GLU 66 HE GLU 66 14.165 -0.563 -2.668 419 H GLY 67 H GLY 67 12.554 1.823 2.200 420 1HA GLY 67 1HA GLY 67 13.411 2.703 4.721 421 2HA GLY 67 2HA GLY 67 13.290 4.099 3.669 422 H LYS 68 H LYS 68 11.286 4.996 3.243 423 HA LYS 68 HA LYS 68 9.126 4.344 4.806 424 2HB LYS 68 2HB LYS 68 9.022 5.708 2.102 425 2HG LYS 68 2HG LYS 68 6.880 5.090 3.511 426 2HD LYS 68 2HD LYS 68 8.162 6.138 5.610 427 2HE LYS 68 2HE LYS 68 7.462 8.469 3.946 428 1HZ LYS 68 1HZ LYS 68 6.613 9.747 5.847 429 2HZ LYS 68 2HZ LYS 68 5.570 8.554 5.469 430 H ALA 69 H ALA 69 7.123 3.250 4.421 431 HA ALA 69 HA ALA 69 7.449 0.828 3.005 432 1HB ALA 69 1HB ALA 69 4.701 1.302 3.577 433 2HB ALA 69 2HB ALA 69 5.857 0.312 4.501 434 3HB ALA 69 3HB ALA 69 5.637 2.032 4.903 435 H CYS 70 H CYS 70 5.431 0.156 1.489 436 HA CYS 70 HA CYS 70 5.824 1.493 -0.886 437 2HB CYS 70 2HB CYS 70 3.738 0.242 -1.635 438 HG CYS 70 HG CYS 70 4.695 -2.291 -1.157 439 H LEU 71 H LEU 71 4.187 2.776 -2.165 440 HA LEU 71 HA LEU 71 3.314 4.992 -0.759 441 2HB LEU 71 2HB LEU 71 1.854 5.226 -2.939 442 HG LEU 71 HG LEU 71 3.740 5.992 -4.257 443 1HD1 LEU 71 1HD1 LEU 71 3.192 6.830 -1.556 444 2HD1 LEU 71 2HD1 LEU 71 4.901 7.125 -1.956 445 3HD1 LEU 71 3HD1 LEU 71 3.616 7.804 -2.984 446 1HD2 LEU 71 1HD2 LEU 71 6.006 5.582 -3.772 447 2HD2 LEU 71 2HD2 LEU 71 5.630 4.905 -2.170 448 3HD2 LEU 71 3HD2 LEU 71 5.201 4.000 -3.641 449 H ARG 72 H ARG 72 1.026 5.791 -0.526 450 HA ARG 72 HA ARG 72 -0.385 3.962 0.997 451 2HB ARG 72 2HB ARG 72 -2.255 5.923 0.385 452 2HG ARG 72 2HG ARG 72 -0.520 7.147 2.250 453 2HD ARG 72 2HD ARG 72 -2.287 5.120 3.438 454 HE ARG 72 HE ARG 72 -1.723 7.924 3.745 455 1HH1 ARG 72 2HH2 ARG 72 -4.360 5.597 4.177 456 2HH1 ARG 72 1HH2 ARG 72 -5.136 6.519 5.420 457 2HH2 ARG 72 1HH ARG 72 -4.171 8.600 6.115 458 H GLU 73 H GLU 73 -0.919 2.075 -0.233 459 HA GLU 73 HA GLU 73 -1.982 2.162 -2.778 460 2HB GLU 73 2HB GLU 73 -2.807 -0.204 -2.167 461 2HG GLU 73 2HG GLU 73 0.013 0.825 -2.032 462 HE2 GLU 73 HE GLU 73 -1.325 -2.373 -2.139 463 H TRP 74 H TRP 74 -4.109 2.163 -3.606 464 HA TRP 74 HA TRP 74 -6.127 3.000 -1.653 465 2HB TRP 74 2HB TRP 74 -7.304 3.639 -3.908 466 HD1 TRP 74 HD TRP 74 -5.728 4.847 -1.014 467 HE1 TRP 74 1HE TRP 74 -5.320 7.450 -0.888 468 HE3 TRP 74 3HE TRP 74 -6.264 5.702 -5.998 469 HZ2 TRP 74 2HZ TRP 74 -5.268 9.530 -2.844 470 HZ3 TRP 74 3HZ TRP 74 -6.020 8.047 -6.807 471 HH2 TRP 74 HH TRP 74 -5.539 9.926 -5.319 472 H TRP 75 H TRP 75 -8.457 2.245 -2.403 473 HA TRP 75 HA TRP 75 -8.240 -0.571 -3.229 474 2HB TRP 75 2HB TRP 75 -10.291 -0.892 -1.772 475 HD1 TRP 75 HD TRP 75 -7.919 0.843 0.664 476 HE1 TRP 75 1HE TRP 75 -6.395 -0.887 1.948 477 HE3 TRP 75 3HE TRP 75 -9.196 -3.182 -2.169 478 HZ2 TRP 75 2HZ TRP 75 -5.905 -3.682 1.641 479 HZ3 TRP 75 3HZ TRP 75 -8.149 -5.374 -1.610 480 HH2 TRP 75 HH TRP 75 -6.555 -5.662 0.220 481 H ALA 76 H ALA 76 -10.062 -1.353 -4.519 482 HA ALA 76 HA ALA 76 -12.029 0.564 -5.372 483 1HB ALA 76 1HB ALA 76 -9.724 -0.303 -7.130 484 2HB ALA 76 2HB ALA 76 -11.302 0.126 -7.833 485 3HB ALA 76 3HB ALA 76 -10.395 1.328 -6.883 486 H LEU 77 H LEU 77 -13.365 -0.596 -7.273 487 HA LEU 77 HA LEU 77 -13.882 -3.261 -6.229 488 2HB LEU 77 2HB LEU 77 -16.004 -3.085 -7.319 489 HG LEU 77 HG LEU 77 -15.357 -0.407 -6.055 490 1HD1 LEU 77 1HD1 LEU 77 -17.695 -0.044 -5.803 491 2HD1 LEU 77 2HD1 LEU 77 -17.406 -0.452 -7.511 492 3HD1 LEU 77 3HD1 LEU 77 -18.082 -1.672 -6.407 493 1HD2 LEU 77 1HD2 LEU 77 -16.647 -2.835 -4.785 494 2HD2 LEU 77 2HD2 LEU 77 -14.926 -2.410 -4.623 495 3HD2 LEU 77 3HD2 LEU 77 -16.177 -1.311 -3.995 496 H ARG 78 H ARG 78 -14.298 -5.066 -7.764 497 HA ARG 78 HA ARG 78 -12.151 -5.278 -9.515 498 2HB ARG 78 2HB ARG 78 -14.674 -6.962 -9.143 499 2HG ARG 78 2HG ARG 78 -13.559 -7.206 -11.455 500 2HD ARG 78 2HD ARG 78 -11.360 -8.452 -9.733 501 HE ARG 78 HE ARG 78 -12.058 -8.801 -12.527 502 1HH1 ARG 78 2HH2 ARG 78 -9.288 -8.527 -10.334 503 2HH1 ARG 78 1HH2 ARG 78 -8.220 -9.411 -11.374 504 2HH2 ARG 78 1HH ARG 78 -9.041 -10.248 -13.464 Start of MODEL 5 1 1H MET 1 H MET 1 -23.582 5.987 10.388 2 HA MET 1 HA MET 1 -24.502 3.311 11.094 3 2HB MET 1 2HB MET 1 -24.972 3.675 8.314 4 2HG MET 1 2HG MET 1 -26.965 3.990 10.612 5 1HE MET 1 1HE MET 1 -29.749 2.174 8.508 6 2HE MET 1 2HE MET 1 -28.816 2.119 10.021 7 3HE MET 1 3HE MET 1 -29.860 3.516 9.671 8 H ALA 2 H ALA 2 -23.681 1.609 9.454 9 HA ALA 2 HA ALA 2 -21.503 2.229 7.793 10 1HB ALA 2 1HB ALA 2 -20.202 0.634 9.786 11 2HB ALA 2 2HB ALA 2 -19.773 2.267 9.223 12 3HB ALA 2 3HB ALA 2 -20.890 2.063 10.592 13 H SER 3 H SER 3 -21.058 0.465 6.458 14 HA SER 3 HA SER 3 -21.654 -2.155 7.274 15 2HB SER 3 2HB SER 3 -23.948 -1.803 6.931 16 HG SER 3 HG SER 3 -23.638 -0.481 4.418 17 H LEU 4 H LEU 4 -21.425 -3.704 5.269 18 HA LEU 4 HA LEU 4 -19.078 -2.931 3.902 19 2HB LEU 4 2HB LEU 4 -20.336 -5.196 2.697 20 HG LEU 4 HG LEU 4 -17.997 -4.822 4.557 21 1HD1 LEU 4 1HD1 LEU 4 -17.523 -7.256 4.305 22 2HD1 LEU 4 2HD1 LEU 4 -18.951 -6.892 5.304 23 3HD1 LEU 4 3HD1 LEU 4 -19.158 -7.461 3.630 24 1HD2 LEU 4 1HD2 LEU 4 -18.020 -4.337 2.000 25 2HD2 LEU 4 2HD2 LEU 4 -16.664 -5.240 2.714 26 3HD2 LEU 4 3HD2 LEU 4 -17.949 -6.108 1.843 27 H ILE 5 H ILE 5 -22.565 -2.949 3.123 28 HA ILE 5 HA ILE 5 -22.262 -2.581 0.359 29 HB ILE 5 HB ILE 5 -24.547 -1.634 2.082 30 2HG1 ILE 5 2HG1 ILE 5 -25.493 -3.950 1.607 31 1HG2 ILE 5 1HG2 ILE 5 -25.243 -0.950 0.061 32 2HG2 ILE 5 2HG2 ILE 5 -24.086 -1.985 -0.808 33 3HG2 ILE 5 3HG2 ILE 5 -25.611 -2.671 -0.201 34 1HD1 ILE 5 1HD1 ILE 5 -24.008 -5.734 1.093 35 2HD1 ILE 5 2HD1 ILE 5 -23.559 -4.458 -0.065 36 3HD1 ILE 5 3HD1 ILE 5 -22.566 -4.732 1.387 37 H GLN 6 H GLN 6 -22.112 -0.397 3.165 38 HA GLN 6 HA GLN 6 -22.455 1.967 1.759 39 2HB GLN 6 2HB GLN 6 -20.849 2.722 3.841 40 2HG GLN 6 2HG GLN 6 -23.590 1.806 4.629 41 1HE2 GLN 6 1HE2 GLN 6 -21.861 4.746 3.593 42 2HE2 GLN 6 2HE2 GLN 6 -21.991 5.614 5.086 43 H VAL 7 H VAL 7 -19.434 0.226 2.784 44 HA VAL 7 HA VAL 7 -17.719 2.048 1.481 45 HB VAL 7 HB VAL 7 -16.966 0.730 3.328 46 1HG1 VAL 7 1HG1 VAL 7 -17.803 -1.629 1.635 47 2HG1 VAL 7 2HG1 VAL 7 -16.617 -1.798 2.953 48 3HG1 VAL 7 3HG1 VAL 7 -18.266 -1.227 3.306 49 1HG2 VAL 7 1HG2 VAL 7 -15.671 0.400 0.670 50 2HG2 VAL 7 2HG2 VAL 7 -15.051 1.130 2.170 51 3HG2 VAL 7 3HG2 VAL 7 -15.070 -0.640 1.984 52 H ARG 8 H ARG 8 -19.354 -1.004 0.536 53 HA ARG 8 HA ARG 8 -17.920 -1.373 -1.801 54 2HB ARG 8 2HB ARG 8 -20.211 -2.602 -2.450 55 2HG ARG 8 2HG ARG 8 -19.031 -3.743 0.057 56 2HD ARG 8 2HD ARG 8 -18.775 -5.090 -2.590 57 HE ARG 8 HE ARG 8 -18.849 -5.920 0.063 58 1HH1 ARG 8 2HH2 ARG 8 -20.744 -6.708 -2.826 59 2HH1 ARG 8 1HH2 ARG 8 -21.108 -8.318 -2.299 60 2HH2 ARG 8 1HH ARG 8 -20.264 -9.082 -0.190 61 H ASP 9 H ASP 9 -20.853 0.533 -0.990 62 HA ASP 9 HA ASP 9 -21.477 1.098 -3.678 63 2HB ASP 9 2HB ASP 9 -22.255 2.751 -1.240 64 HD2 ASP 9 HD ASP 9 -23.397 1.353 -4.206 65 H LEU 10 H LEU 10 -19.732 2.732 -0.966 66 HA LEU 10 HA LEU 10 -19.344 5.187 -2.261 67 2HB LEU 10 2HB LEU 10 -17.252 4.976 -0.527 68 HG LEU 10 HG LEU 10 -18.610 5.989 1.196 69 1HD1 LEU 10 1HD1 LEU 10 -19.534 7.024 -1.496 70 2HD1 LEU 10 2HD1 LEU 10 -19.395 7.934 0.028 71 3HD1 LEU 10 3HD1 LEU 10 -17.931 7.335 -0.788 72 1HD2 LEU 10 1HD2 LEU 10 -20.579 4.825 1.404 73 2HD2 LEU 10 2HD2 LEU 10 -21.141 6.297 0.575 74 3HD2 LEU 10 3HD2 LEU 10 -20.883 4.799 -0.350 75 H LEU 11 H LEU 11 -17.234 2.252 -1.946 76 HA LEU 11 HA LEU 11 -15.118 3.259 -3.427 77 2HB LEU 11 2HB LEU 11 -14.972 0.608 -3.906 78 HG LEU 11 HG LEU 11 -14.402 1.968 -1.261 79 1HD1 LEU 11 1HD1 LEU 11 -12.910 -0.485 -1.897 80 2HD1 LEU 11 2HD1 LEU 11 -13.621 0.071 -0.363 81 3HD1 LEU 11 3HD1 LEU 11 -14.643 -0.740 -1.575 82 1HD2 LEU 11 1HD2 LEU 11 -13.177 2.841 -3.230 83 2HD2 LEU 11 2HD2 LEU 11 -12.114 2.082 -2.021 84 3HD2 LEU 11 3HD2 LEU 11 -12.526 1.209 -3.516 85 H ALA 12 H ALA 12 -18.316 2.178 -4.387 86 HA ALA 12 HA ALA 12 -17.515 1.793 -7.140 87 1HB ALA 12 1HB ALA 12 -20.139 1.625 -5.618 88 2HB ALA 12 2HB ALA 12 -20.032 1.430 -7.384 89 3HB ALA 12 3HB ALA 12 -19.182 0.292 -6.310 90 H LEU 13 H LEU 13 -19.824 3.948 -5.326 91 HA LEU 13 HA LEU 13 -20.313 5.652 -7.452 92 2HB LEU 13 2HB LEU 13 -20.737 7.283 -5.411 93 HG LEU 13 HG LEU 13 -22.911 6.383 -5.017 94 1HD1 LEU 13 1HD1 LEU 13 -21.998 7.051 -7.503 95 2HD1 LEU 13 2HD1 LEU 13 -22.746 5.466 -7.809 96 3HD1 LEU 13 3HD1 LEU 13 -23.704 6.776 -7.077 97 1HD2 LEU 13 1HD2 LEU 13 -22.296 4.080 -4.512 98 2HD2 LEU 13 2HD2 LEU 13 -23.599 4.137 -5.723 99 3HD2 LEU 13 3HD2 LEU 13 -21.929 3.784 -6.228 100 H ARG 14 H ARG 14 -18.030 6.147 -4.662 101 HA ARG 14 HA ARG 14 -16.879 8.369 -5.935 102 2HB ARG 14 2HB ARG 14 -15.068 7.945 -4.065 103 2HG ARG 14 2HG ARG 14 -16.648 9.669 -3.626 104 2HD ARG 14 2HD ARG 14 -18.754 7.463 -3.411 105 HE ARG 14 HE ARG 14 -19.634 9.149 -2.000 106 1HH1 ARG 14 2HH2 ARG 14 -18.484 10.570 -5.035 107 2HH1 ARG 14 1HH2 ARG 14 -19.242 12.101 -4.748 108 2HH2 ARG 14 1HH ARG 14 -20.499 12.431 -2.735 109 H GLY 15 H GLY 15 -16.608 4.999 -6.424 110 1HA GLY 15 1HA GLY 15 -15.259 3.758 -7.728 111 2HA GLY 15 2HA GLY 15 -14.557 5.240 -8.346 112 H ARG 16 H ARG 16 -12.395 4.437 -8.337 113 HA ARG 16 HA ARG 16 -11.273 3.148 -6.181 114 2HB ARG 16 2HB ARG 16 -9.083 3.757 -7.252 115 2HG ARG 16 2HG ARG 16 -10.908 3.281 -9.594 116 2HD ARG 16 2HD ARG 16 -8.880 1.274 -8.764 117 HE ARG 16 HE ARG 16 -8.736 2.653 -11.351 118 1HH1 ARG 16 2HH2 ARG 16 -10.355 0.088 -9.518 119 2HH1 ARG 16 1HH2 ARG 16 -10.851 -0.781 -10.932 120 2HH2 ARG 16 1HH ARG 16 -10.272 0.072 -13.096 121 H MET 17 H MET 17 -10.520 3.880 -4.201 122 HA MET 17 HA MET 17 -9.343 6.377 -3.876 123 2HB MET 17 2HB MET 17 -12.228 6.079 -2.874 124 2HG MET 17 2HG MET 17 -10.649 7.217 -1.223 125 1HE MET 17 1HE MET 17 -7.800 8.642 -1.625 126 2HE MET 17 2HE MET 17 -8.690 10.051 -1.002 127 3HE MET 17 3HE MET 17 -9.166 8.407 -0.509 128 H GLU 18 H GLU 18 -8.530 6.681 -1.673 129 HA GLU 18 HA GLU 18 -7.904 4.291 -0.449 130 2HB GLU 18 2HB GLU 18 -7.863 6.975 0.973 131 2HG GLU 18 2HG GLU 18 -6.703 4.345 1.406 132 HE2 GLU 18 HE GLU 18 -4.319 4.527 2.474 133 H ALA 19 H ALA 19 -8.441 3.563 1.798 134 HA ALA 19 HA ALA 19 -11.241 3.481 2.150 135 1HB ALA 19 1HB ALA 19 -8.824 2.532 3.707 136 2HB ALA 19 2HB ALA 19 -10.470 2.349 4.358 137 3HB ALA 19 3HB ALA 19 -10.031 1.571 2.819 138 H ALA 20 H ALA 20 -8.553 5.352 3.622 139 HA ALA 20 HA ALA 20 -9.717 6.369 5.837 140 1HB ALA 20 1HB ALA 20 -7.647 7.173 3.916 141 2HB ALA 20 2HB ALA 20 -8.422 8.563 4.713 142 3HB ALA 20 3HB ALA 20 -7.660 7.288 5.692 143 H GLN 21 H GLN 21 -10.374 7.224 2.416 144 HA GLN 21 HA GLN 21 -11.997 9.425 3.102 145 2HB GLN 21 2HB GLN 21 -12.780 8.692 0.547 146 2HG GLN 21 2HG GLN 21 -10.466 10.075 0.037 147 1HE2 GLN 21 1HE2 GLN 21 -12.943 9.914 -0.950 148 2HE2 GLN 21 2HE2 GLN 21 -13.805 11.411 -0.806 149 H ILE 22 H ILE 22 -12.672 6.042 1.960 150 HA ILE 22 HA ILE 22 -15.435 6.240 2.025 151 HB ILE 22 HB ILE 22 -13.575 3.894 2.381 152 2HG1 ILE 22 2HG1 ILE 22 -14.099 5.485 0.161 153 1HG2 ILE 22 1HG2 ILE 22 -16.518 4.056 2.555 154 2HG2 ILE 22 2HG2 ILE 22 -15.885 2.803 1.460 155 3HG2 ILE 22 3HG2 ILE 22 -15.389 2.825 3.171 156 1HD1 ILE 22 1HD1 ILE 22 -13.182 2.578 0.344 157 2HD1 ILE 22 2HD1 ILE 22 -12.967 3.626 -1.078 158 3HD1 ILE 22 3HD1 ILE 22 -12.141 4.018 0.450 159 H SER 23 H SER 23 -13.079 5.254 4.586 160 HA SER 23 HA SER 23 -14.929 4.553 6.474 161 2HB SER 23 2HB SER 23 -12.487 4.153 6.662 162 HG SER 23 HG SER 23 -11.762 6.505 7.834 163 H GLN 24 H GLN 24 -13.619 7.769 5.543 164 HA GLN 24 HA GLN 24 -14.683 9.157 7.704 165 2HB GLN 24 2HB GLN 24 -14.604 10.953 5.531 166 2HG GLN 24 2HG GLN 24 -12.105 10.255 7.077 167 1HE2 GLN 24 1HE2 GLN 24 -12.446 12.735 8.536 168 2HE2 GLN 24 2HE2 GLN 24 -12.165 14.040 7.434 169 H THR 25 H THR 25 -15.955 8.418 4.403 170 HA THR 25 HA THR 25 -18.196 9.958 4.350 171 HB THR 25 HB THR 25 -17.896 7.041 3.460 172 HG1 THR 25 1HG THR 25 -17.239 8.383 1.469 173 1HG2 THR 25 1HG2 THR 25 -19.726 7.372 2.099 174 2HG2 THR 25 2HG2 THR 25 -20.148 8.663 3.249 175 3HG2 THR 25 3HG2 THR 25 -19.266 9.056 1.755 176 H LEU 26 H LEU 26 -17.816 6.778 6.023 177 HA LEU 26 HA LEU 26 -20.447 7.234 7.213 178 2HB LEU 26 2HB LEU 26 -20.603 5.120 6.506 179 HG LEU 26 HG LEU 26 -17.605 4.978 6.624 180 1HD1 LEU 26 1HD1 LEU 26 -17.587 2.601 6.353 181 2HD1 LEU 26 2HD1 LEU 26 -18.499 2.981 7.834 182 3HD1 LEU 26 3HD1 LEU 26 -19.366 2.530 6.347 183 1HD2 LEU 26 1HD2 LEU 26 -17.761 4.382 4.335 184 2HD2 LEU 26 2HD2 LEU 26 -19.510 4.073 4.457 185 3HD2 LEU 26 3HD2 LEU 26 -18.890 5.736 4.584 186 H ASN 27 H ASN 27 -17.880 8.723 7.862 187 HA ASN 27 HA ASN 27 -16.611 9.236 9.575 188 2HB ASN 27 2HB ASN 27 -18.833 8.756 11.538 189 1HD2 ASN 27 1HD2 ASN 27 -19.526 11.485 11.624 190 2HD2 ASN 27 2HD2 ASN 27 -18.181 12.399 12.221 191 H THR 28 H THR 28 -16.678 6.315 8.964 192 HA THR 28 HA THR 28 -16.706 4.991 11.540 193 HB THR 28 HB THR 28 -17.201 4.277 8.854 194 HG1 THR 28 1HG THR 28 -18.087 3.274 10.761 195 1HG2 THR 28 1HG2 THR 28 -14.639 2.990 9.936 196 2HG2 THR 28 2HG2 THR 28 -15.628 2.296 8.628 197 3HG2 THR 28 3HG2 THR 28 -14.814 3.862 8.394 198 HA PRO 29 HA PRO 29 -12.492 5.159 12.322 199 2HB PRO 29 2HB PRO 29 -12.718 4.069 14.337 200 2HG PRO 29 2HG PRO 29 -14.570 2.701 14.489 201 2HD PRO 29 2HD PRO 29 -15.930 3.681 12.916 202 H GLN 30 H GLN 30 -10.522 5.053 11.361 203 HA GLN 30 HA GLN 30 -10.381 4.036 8.879 204 2HB GLN 30 2HB GLN 30 -7.806 3.820 10.309 205 2HG GLN 30 2HG GLN 30 -7.388 5.833 8.702 206 1HE2 GLN 30 1HE2 GLN 30 -9.143 4.132 6.461 207 2HE2 GLN 30 2HE2 GLN 30 -7.992 2.925 5.994 208 HA PRO 31 HA PRO 31 -8.668 -0.018 10.654 209 2HB PRO 31 2HB PRO 31 -7.362 0.135 12.544 210 2HG PRO 31 2HG PRO 31 -7.692 2.048 13.790 211 2HD PRO 31 2HD PRO 31 -8.519 3.453 12.169 212 H MET 32 H MET 32 -11.068 0.419 9.625 213 HA MET 32 HA MET 32 -12.530 -1.704 10.932 214 2HB MET 32 2HB MET 32 -14.138 0.666 9.981 215 2HG MET 32 2HG MET 32 -15.239 0.037 12.319 216 1HE MET 32 1HE MET 32 -17.781 -1.769 11.945 217 2HE MET 32 2HE MET 32 -17.290 -0.061 12.054 218 3HE MET 32 3HE MET 32 -18.272 -0.618 10.678 219 H ILE 33 H ILE 33 -12.278 0.619 8.173 220 HA ILE 33 HA ILE 33 -13.833 -1.080 6.469 221 HB ILE 33 HB ILE 33 -12.197 1.400 5.933 222 2HG1 ILE 33 2HG1 ILE 33 -14.281 2.593 5.966 223 1HG2 ILE 33 1HG2 ILE 33 -12.495 1.102 3.757 224 2HG2 ILE 33 2HG2 ILE 33 -13.188 -0.503 4.089 225 3HG2 ILE 33 3HG2 ILE 33 -14.251 0.921 3.989 226 1HD1 ILE 33 1HD1 ILE 33 -15.408 -0.089 5.692 227 2HD1 ILE 33 2HD1 ILE 33 -16.135 0.769 7.073 228 3HD1 ILE 33 3HD1 ILE 33 -16.192 1.491 5.447 229 H ASN 34 H ASN 34 -10.377 -0.409 7.131 230 HA ASN 34 HA ASN 34 -9.297 -1.615 4.941 231 2HB ASN 34 2HB ASN 34 -7.356 -2.176 6.611 232 1HD2 ASN 34 1HD2 ASN 34 -7.463 0.431 8.294 233 2HD2 ASN 34 2HD2 ASN 34 -7.042 1.679 7.169 234 H ALA 35 H ALA 35 -10.526 -2.976 8.048 235 HA ALA 35 HA ALA 35 -9.567 -5.574 7.750 236 1HB ALA 35 1HB ALA 35 -12.137 -4.651 9.094 237 2HB ALA 35 2HB ALA 35 -11.204 -6.122 9.458 238 3HB ALA 35 3HB ALA 35 -10.519 -4.520 9.822 239 H MET 36 H MET 36 -12.654 -4.011 6.687 240 HA MET 36 HA MET 36 -13.752 -6.347 5.660 241 2HB MET 36 2HB MET 36 -15.381 -4.836 4.648 242 2HG MET 36 2HG MET 36 -14.827 -2.836 6.670 243 1HE MET 36 1HE MET 36 -16.526 -3.296 8.936 244 2HE MET 36 2HE MET 36 -16.949 -2.069 7.718 245 3HE MET 36 3HE MET 36 -18.197 -3.181 8.334 246 H LEU 37 H LEU 37 -11.840 -3.689 4.108 247 HA LEU 37 HA LEU 37 -12.008 -4.604 1.506 248 2HB LEU 37 2HB LEU 37 -9.764 -3.378 1.297 249 HG LEU 37 HG LEU 37 -12.263 -2.042 2.321 250 1HD1 LEU 37 1HD1 LEU 37 -10.353 -0.176 1.185 251 2HD1 LEU 37 2HD1 LEU 37 -11.282 -0.084 2.700 252 3HD1 LEU 37 3HD1 LEU 37 -9.723 -0.942 2.663 253 1HD2 LEU 37 1HD2 LEU 37 -11.705 -1.031 -0.157 254 2HD2 LEU 37 2HD2 LEU 37 -11.088 -2.695 -0.294 255 3HD2 LEU 37 3HD2 LEU 37 -12.782 -2.410 0.174 256 H GLN 38 H GLN 38 -9.803 -5.536 4.192 257 HA GLN 38 HA GLN 38 -8.110 -7.083 2.650 258 2HB GLN 38 2HB GLN 38 -8.558 -8.094 5.387 259 2HG GLN 38 2HG GLN 38 -6.105 -6.604 4.966 260 1HE2 GLN 38 1HE2 GLN 38 -4.921 -9.143 3.839 261 2HE2 GLN 38 2HE2 GLN 38 -4.861 -10.258 5.163 262 H GLN 39 H GLN 39 -11.151 -7.894 4.427 263 HA GLN 39 HA GLN 39 -11.037 -10.616 3.963 264 2HB GLN 39 2HB GLN 39 -13.749 -9.402 4.000 265 2HG GLN 39 2HG GLN 39 -12.176 -11.402 5.675 266 1HE2 GLN 39 1HE2 GLN 39 -12.960 -12.082 7.557 267 2HE2 GLN 39 2HE2 GLN 39 -14.372 -11.472 8.352 268 H LEU 40 H LEU 40 -12.672 -7.956 2.114 269 HA LEU 40 HA LEU 40 -13.800 -9.589 0.169 270 2HB LEU 40 2HB LEU 40 -13.935 -7.519 -1.157 271 HG LEU 40 HG LEU 40 -14.596 -7.137 1.774 272 1HD1 LEU 40 1HD1 LEU 40 -14.757 -5.282 -0.482 273 2HD1 LEU 40 2HD1 LEU 40 -16.314 -5.522 0.346 274 3HD1 LEU 40 3HD1 LEU 40 -14.889 -4.984 1.267 275 1HD2 LEU 40 1HD2 LEU 40 -16.376 -7.923 -0.548 276 2HD2 LEU 40 2HD2 LEU 40 -15.721 -9.041 0.673 277 3HD2 LEU 40 3HD2 LEU 40 -16.853 -7.755 1.158 278 H GLU 41 H GLU 41 -10.552 -8.055 0.424 279 HA GLU 41 HA GLU 41 -9.713 -8.644 -2.125 280 2HB GLU 41 2HB GLU 41 -8.108 -8.471 0.463 281 2HG GLU 41 2HG GLU 41 -6.780 -7.610 -2.002 282 HE2 GLU 41 HE GLU 41 -5.520 -10.343 -1.632 283 H SER 42 H SER 42 -9.367 -10.560 0.939 284 HA SER 42 HA SER 42 -7.929 -12.626 -0.097 285 2HB SER 42 2HB SER 42 -10.122 -13.171 1.907 286 HG SER 42 HG SER 42 -8.666 -14.864 1.688 287 H MET 43 H MET 43 -11.515 -12.139 0.008 288 HA MET 43 HA MET 43 -12.140 -14.615 -1.092 289 2HB MET 43 2HB MET 43 -14.327 -13.277 -1.719 290 2HG MET 43 2HG MET 43 -13.809 -12.782 1.175 291 1HE MET 43 1HE MET 43 -15.666 -14.687 2.619 292 2HE MET 43 2HE MET 43 -15.721 -12.909 2.568 293 3HE MET 43 3HE MET 43 -17.205 -13.854 2.301 294 H GLY 44 H GLY 44 -11.937 -11.318 -2.617 295 1HA GLY 44 1HA GLY 44 -10.686 -11.282 -4.742 296 2HA GLY 44 2HA GLY 44 -11.625 -12.678 -5.227 297 H LYS 45 H LYS 45 -12.761 -9.774 -3.397 298 HA LYS 45 HA LYS 45 -14.704 -9.352 -5.544 299 2HB LYS 45 2HB LYS 45 -16.160 -8.477 -3.959 300 2HG LYS 45 2HG LYS 45 -15.999 -10.005 -1.930 301 2HD LYS 45 2HD LYS 45 -15.418 -11.980 -3.985 302 2HE LYS 45 2HE LYS 45 -18.171 -11.015 -3.138 303 1HZ LYS 45 1HZ LYS 45 -17.979 -13.726 -3.035 304 2HZ LYS 45 2HZ LYS 45 -18.580 -12.895 -4.300 305 H ALA 46 H ALA 46 -12.804 -7.353 -3.170 306 HA ALA 46 HA ALA 46 -12.743 -5.227 -5.151 307 1HB ALA 46 1HB ALA 46 -11.648 -5.255 -2.315 308 2HB ALA 46 2HB ALA 46 -12.035 -3.838 -3.322 309 3HB ALA 46 3HB ALA 46 -13.343 -4.877 -2.707 310 H VAL 47 H VAL 47 -10.483 -3.983 -5.142 311 HA VAL 47 HA VAL 47 -8.321 -5.950 -5.194 312 HB VAL 47 HB VAL 47 -7.592 -5.168 -7.362 313 1HG1 VAL 47 1HG1 VAL 47 -10.409 -5.732 -8.053 314 2HG1 VAL 47 2HG1 VAL 47 -8.920 -6.604 -8.488 315 3HG1 VAL 47 3HG1 VAL 47 -9.677 -6.873 -6.901 316 1HG2 VAL 47 1HG2 VAL 47 -8.671 -2.846 -7.023 317 2HG2 VAL 47 2HG2 VAL 47 -8.661 -3.537 -8.664 318 3HG2 VAL 47 3HG2 VAL 47 -10.147 -3.590 -7.683 319 H ARG 48 H ARG 48 -6.154 -4.914 -5.142 320 HA ARG 48 HA ARG 48 -6.328 -2.580 -3.488 321 2HB ARG 48 2HB ARG 48 -3.689 -3.809 -4.295 322 2HG ARG 48 2HG ARG 48 -4.574 -2.008 -2.310 323 2HD ARG 48 2HD ARG 48 -4.853 -4.689 -1.306 324 HE ARG 48 HE ARG 48 -2.692 -4.946 -0.425 325 1HH1 ARG 48 2HH2 ARG 48 -3.772 -1.615 0.110 326 2HH1 ARG 48 1HH2 ARG 48 -2.433 -1.214 1.131 327 2HH2 ARG 48 1HH ARG 48 -0.771 -2.877 1.597 328 H ILE 49 H ILE 49 -5.441 -0.521 -4.014 329 HA ILE 49 HA ILE 49 -4.459 -0.285 -6.773 330 HB ILE 49 HB ILE 49 -6.262 1.583 -5.231 331 2HG1 ILE 49 2HG1 ILE 49 -7.896 1.088 -6.986 332 1HG2 ILE 49 1HG2 ILE 49 -4.946 3.064 -6.422 333 2HG2 ILE 49 2HG2 ILE 49 -4.715 1.939 -7.781 334 3HG2 ILE 49 3HG2 ILE 49 -6.282 2.752 -7.555 335 1HD1 ILE 49 1HD1 ILE 49 -7.338 0.016 -8.899 336 2HD1 ILE 49 2HD1 ILE 49 -5.641 0.034 -8.362 337 3HD1 ILE 49 3HD1 ILE 49 -6.682 -1.359 -7.980 338 H GLN 50 H GLN 50 -2.844 1.384 -7.140 339 HA GLN 50 HA GLN 50 -1.452 2.021 -4.656 340 2HB GLN 50 2HB GLN 50 0.298 2.200 -6.944 341 2HG GLN 50 2HG GLN 50 1.395 0.230 -5.699 342 1HE2 GLN 50 1HE2 GLN 50 -0.118 2.072 -3.176 343 2HE2 GLN 50 2HE2 GLN 50 1.154 3.214 -2.891 344 H GLU 51 H GLU 51 -0.092 4.079 -4.774 345 HA GLU 51 HA GLU 51 -1.500 6.005 -6.455 346 2HB GLU 51 2HB GLU 51 -0.370 7.506 -4.419 347 2HG GLU 51 2HG GLU 51 -3.034 6.331 -3.786 348 HE2 GLU 51 HE GLU 51 -2.778 9.118 -5.581 349 H GLU 52 H GLU 52 -0.056 8.116 -6.751 350 HA GLU 52 HA GLU 52 1.971 7.556 -8.373 351 2HB GLU 52 2HB GLU 52 2.888 9.919 -7.427 352 2HG GLU 52 2HG GLU 52 0.311 10.499 -8.594 353 HE2 GLU 52 HE GLU 52 1.094 10.515 -11.138 354 HA PRO 53 HA PRO 53 4.866 5.904 -5.451 355 2HB PRO 53 2HB PRO 53 4.895 3.812 -6.413 356 2HG PRO 53 2HG PRO 53 3.911 3.696 -8.495 357 2HD PRO 53 2HD PRO 53 2.491 5.500 -8.377 358 H ASP 54 H ASP 54 7.530 5.413 -6.091 359 HA ASP 54 HA ASP 54 8.306 8.184 -6.433 360 2HB ASP 54 2HB ASP 54 10.614 6.911 -5.726 361 HD2 ASP 54 HD ASP 54 7.967 6.704 -3.498 362 H GLY 55 H GLY 55 10.617 8.374 -7.586 363 1HA GLY 55 1HA GLY 55 10.365 7.169 -10.184 364 2HA GLY 55 2HA GLY 55 11.575 8.314 -9.644 365 H CYS 56 H CYS 56 12.935 6.726 -11.025 366 HA CYS 56 HA CYS 56 13.600 4.329 -9.513 367 2HB CYS 56 2HB CYS 56 14.459 5.152 -12.307 368 HG CYS 56 HG CYS 56 14.980 2.534 -12.689 369 H LEU 57 H LEU 57 15.591 4.137 -8.456 370 HA LEU 57 HA LEU 57 17.275 6.530 -8.547 371 2HB LEU 57 2HB LEU 57 18.186 5.196 -6.417 372 HG LEU 57 HG LEU 57 16.626 6.406 -4.951 373 1HD1 LEU 57 1HD1 LEU 57 17.143 8.708 -5.757 374 2HD1 LEU 57 2HD1 LEU 57 18.544 7.610 -5.744 375 3HD1 LEU 57 3HD1 LEU 57 17.730 7.996 -7.279 376 1HD2 LEU 57 1HD2 LEU 57 15.192 7.908 -6.961 377 2HD2 LEU 57 2HD2 LEU 57 14.841 6.169 -7.100 378 3HD2 LEU 57 3HD2 LEU 57 14.576 7.009 -5.554 379 H SER 58 H SER 58 19.714 5.754 -7.844 380 HA SER 58 HA SER 58 20.498 3.327 -9.030 381 2HB SER 58 2HB SER 58 21.912 5.373 -10.562 382 HG SER 58 HG SER 58 21.734 3.852 -12.086 383 H GLY 59 H GLY 59 22.846 2.955 -8.729 384 1HA GLY 59 1HA GLY 59 24.196 5.019 -7.114 385 2HA GLY 59 2HA GLY 59 24.039 3.383 -6.506 386 H SER 60 H SER 60 26.523 4.862 -7.155 387 HA SER 60 HA SER 60 27.429 3.331 -9.456 388 2HB SER 60 2HB SER 60 28.890 5.609 -8.060 389 HG SER 60 HG SER 60 29.535 3.943 -10.098 390 H CYS 61 H CYS 61 28.486 1.442 -8.984 391 HA CYS 61 HA CYS 61 29.817 -0.007 -8.010 392 2HB CYS 61 2HB CYS 61 31.245 1.431 -6.004 393 HG CYS 61 HG CYS 61 32.378 -0.519 -7.090 394 H LYS 62 H LYS 62 28.409 -1.346 -6.883 395 HA LYS 62 HA LYS 62 27.175 -2.162 -5.245 396 2HB LYS 62 2HB LYS 62 28.005 -1.624 -2.873 397 2HG LYS 62 2HG LYS 62 30.157 -2.552 -4.819 398 2HD LYS 62 2HD LYS 62 29.569 -2.843 -1.909 399 2HE LYS 62 2HE LYS 62 29.454 -5.184 -3.488 400 1HZ LYS 62 1HZ LYS 62 31.490 -6.303 -2.960 401 2HZ LYS 62 2HZ LYS 62 31.927 -4.916 -3.694 402 H SER 63 H SER 63 25.855 -1.438 -3.080 403 HA SER 63 HA SER 63 25.088 1.211 -2.911 404 2HB SER 63 2HB SER 63 24.124 0.716 -5.196 405 HG SER 63 HG SER 63 22.412 -1.031 -3.642 406 H CYS 64 H CYS 64 22.989 1.401 -1.522 407 HA CYS 64 HA CYS 64 22.842 -0.993 0.162 408 2HB CYS 64 2HB CYS 64 21.853 1.130 1.673 409 HG CYS 64 HG CYS 64 24.506 1.154 2.738 410 HA PRO 65 HA PRO 65 18.590 -1.063 -0.778 411 2HB PRO 65 2HB PRO 65 18.330 -3.163 0.131 412 2HG PRO 65 2HG PRO 65 19.913 -3.731 1.710 413 2HD PRO 65 2HD PRO 65 21.636 -2.346 1.077 414 H GLU 66 H GLU 66 16.297 -0.921 0.797 415 HA GLU 66 HA GLU 66 16.617 1.758 1.896 416 2HB GLU 66 2HB GLU 66 14.565 2.497 0.857 417 2HG GLU 66 2HG GLU 66 16.792 2.068 -0.595 418 HE2 GLU 66 HE GLU 66 14.936 0.943 -3.417 419 H GLY 67 H GLY 67 13.602 1.771 2.381 420 1HA GLY 67 1HA GLY 67 12.511 -0.248 3.743 421 2HA GLY 67 2HA GLY 67 13.704 0.316 4.896 422 H LYS 68 H LYS 68 10.552 0.807 3.589 423 HA LYS 68 HA LYS 68 9.934 2.765 5.497 424 2HB LYS 68 2HB LYS 68 11.165 4.322 4.146 425 2HG LYS 68 2HG LYS 68 10.611 2.736 1.993 426 2HD LYS 68 2HD LYS 68 9.183 5.005 0.901 427 2HE LYS 68 2HE LYS 68 7.494 2.721 0.983 428 1HZ LYS 68 1HZ LYS 68 9.106 4.141 -0.924 429 2HZ LYS 68 2HZ LYS 68 8.964 2.564 -1.305 430 H ALA 69 H ALA 69 7.633 3.215 5.529 431 HA ALA 69 HA ALA 69 6.090 1.051 4.750 432 1HB ALA 69 1HB ALA 69 5.637 3.811 5.809 433 2HB ALA 69 2HB ALA 69 4.234 2.974 5.101 434 3HB ALA 69 3HB ALA 69 5.119 2.237 6.460 435 H CYS 70 H CYS 70 4.893 0.543 2.937 436 HA CYS 70 HA CYS 70 5.605 1.700 0.527 437 2HB CYS 70 2HB CYS 70 4.796 -0.546 0.549 438 HG CYS 70 HG CYS 70 2.062 0.921 1.708 439 H LEU 71 H LEU 71 4.210 2.965 -0.989 440 HA LEU 71 HA LEU 71 3.207 5.258 0.159 441 2HB LEU 71 2HB LEU 71 2.001 5.354 -2.191 442 HG LEU 71 HG LEU 71 4.041 6.036 -3.319 443 1HD1 LEU 71 1HD1 LEU 71 3.117 7.078 -0.812 444 2HD1 LEU 71 2HD1 LEU 71 4.874 7.329 -0.946 445 3HD1 LEU 71 3HD1 LEU 71 3.789 7.942 -2.217 446 1HD2 LEU 71 1HD2 LEU 71 6.224 5.893 -1.975 447 2HD2 LEU 71 2HD2 LEU 71 5.411 4.615 -1.041 448 3HD2 LEU 71 3HD2 LEU 71 5.648 4.422 -2.795 449 H ARG 72 H ARG 72 0.925 6.107 0.072 450 HA ARG 72 HA ARG 72 -0.691 4.413 1.544 451 2HB ARG 72 2HB ARG 72 -2.434 6.346 0.555 452 2HG ARG 72 2HG ARG 72 -0.586 7.420 2.593 453 2HD ARG 72 2HD ARG 72 -3.300 6.430 3.329 454 HE ARG 72 HE ARG 72 -1.582 8.468 4.196 455 1HH1 ARG 72 2HH2 ARG 72 -4.974 8.268 3.193 456 2HH1 ARG 72 1HH2 ARG 72 -5.476 9.593 4.189 457 2HH2 ARG 72 1HH ARG 72 -3.854 10.725 5.542 458 H GLU 73 H GLU 73 -1.099 2.441 0.396 459 HA GLU 73 HA GLU 73 -1.884 2.365 -2.255 460 2HB GLU 73 2HB GLU 73 -2.690 0.030 -1.659 461 2HG GLU 73 2HG GLU 73 0.015 1.161 -1.214 462 HE2 GLU 73 HE GLU 73 0.454 -2.475 -0.101 463 H TRP 74 H TRP 74 -3.893 2.406 -3.297 464 HA TRP 74 HA TRP 74 -6.088 3.378 -1.640 465 2HB TRP 74 2HB TRP 74 -7.070 3.708 -4.043 466 HD1 TRP 74 HD TRP 74 -5.506 5.266 -1.246 467 HE1 TRP 74 1HE TRP 74 -5.140 7.872 -1.442 468 HE3 TRP 74 3HE TRP 74 -6.108 5.501 -6.290 469 HZ2 TRP 74 2HZ TRP 74 -5.143 9.698 -3.636 470 HZ3 TRP 74 3HZ TRP 74 -5.911 7.734 -7.381 471 HH2 TRP 74 HH TRP 74 -5.445 9.787 -6.137 472 H TRP 75 H TRP 75 -8.351 2.515 -2.449 473 HA TRP 75 HA TRP 75 -8.095 -0.373 -2.945 474 2HB TRP 75 2HB TRP 75 -10.162 -0.590 -1.515 475 HD1 TRP 75 HD TRP 75 -7.895 1.478 0.767 476 HE1 TRP 75 1HE TRP 75 -6.380 -0.058 2.287 477 HE3 TRP 75 3HE TRP 75 -9.037 -2.882 -1.588 478 HZ2 TRP 75 2HZ TRP 75 -5.841 -2.860 2.334 479 HZ3 TRP 75 3HZ TRP 75 -7.975 -4.972 -0.742 480 HH2 TRP 75 HH TRP 75 -6.425 -5.008 1.148 481 H ALA 76 H ALA 76 -9.817 -1.278 -4.256 482 HA ALA 76 HA ALA 76 -11.808 0.511 -5.309 483 1HB ALA 76 1HB ALA 76 -9.542 -0.560 -7.034 484 2HB ALA 76 2HB ALA 76 -11.056 0.118 -7.680 485 3HB ALA 76 3HB ALA 76 -9.953 1.145 -6.732 486 H LEU 77 H LEU 77 -13.192 -0.762 -6.986 487 HA LEU 77 HA LEU 77 -13.424 -3.483 -5.936 488 2HB LEU 77 2HB LEU 77 -15.696 -3.393 -6.440 489 HG LEU 77 HG LEU 77 -14.681 -0.864 -5.268 490 1HD1 LEU 77 1HD1 LEU 77 -16.250 0.133 -6.762 491 2HD1 LEU 77 2HD1 LEU 77 -17.480 -1.101 -6.394 492 3HD1 LEU 77 3HD1 LEU 77 -17.003 0.080 -5.150 493 1HD2 LEU 77 1HD2 LEU 77 -17.031 -2.138 -4.089 494 2HD2 LEU 77 2HD2 LEU 77 -15.665 -3.258 -4.307 495 3HD2 LEU 77 3HD2 LEU 77 -15.446 -1.758 -3.375 496 H ARG 78 H ARG 78 -14.089 -5.204 -7.526 497 HA ARG 78 HA ARG 78 -12.350 -4.967 -9.778 498 2HB ARG 78 2HB ARG 78 -14.146 -7.314 -8.990 499 2HG ARG 78 2HG ARG 78 -12.994 -7.257 -11.304 500 2HD ARG 78 2HD ARG 78 -10.470 -8.072 -9.895 501 HE ARG 78 HE ARG 78 -11.240 -7.043 -12.553 502 1HH1 ARG 78 2HH2 ARG 78 -8.578 -7.875 -10.368 503 2HH1 ARG 78 1HH2 ARG 78 -7.413 -8.017 -11.642 504 2HH2 ARG 78 1HH ARG 78 -8.097 -7.635 -13.907 Start of MODEL 6 1 1H MET 1 H MET 1 -24.419 1.601 11.043 2 HA MET 1 HA MET 1 -22.132 3.397 11.271 3 2HB MET 1 2HB MET 1 -20.876 1.103 11.744 4 2HG MET 1 2HG MET 1 -22.309 1.411 14.206 5 1HE MET 1 1HE MET 1 -20.654 2.638 16.220 6 2HE MET 1 2HE MET 1 -20.813 0.904 15.856 7 3HE MET 1 3HE MET 1 -19.203 1.611 16.134 8 H ALA 2 H ALA 2 -20.186 2.513 9.915 9 HA ALA 2 HA ALA 2 -20.879 2.449 7.275 10 1HB ALA 2 1HB ALA 2 -18.559 2.517 8.756 11 2HB ALA 2 2HB ALA 2 -18.437 0.927 7.963 12 3HB ALA 2 3HB ALA 2 -18.629 2.400 6.981 13 H SER 3 H SER 3 -20.196 0.502 5.733 14 HA SER 3 HA SER 3 -20.686 -2.069 6.767 15 2HB SER 3 2HB SER 3 -22.994 -1.665 6.812 16 HG SER 3 HG SER 3 -23.894 -0.034 5.763 17 H LEU 4 H LEU 4 -20.682 -3.733 4.921 18 HA LEU 4 HA LEU 4 -18.644 -3.096 3.118 19 2HB LEU 4 2HB LEU 4 -19.880 -5.332 2.092 20 HG LEU 4 HG LEU 4 -17.564 -4.804 3.718 21 1HD1 LEU 4 1HD1 LEU 4 -19.172 -6.185 5.302 22 2HD1 LEU 4 2HD1 LEU 4 -18.575 -7.548 4.324 23 3HD1 LEU 4 3HD1 LEU 4 -17.426 -6.521 5.216 24 1HD2 LEU 4 1HD2 LEU 4 -18.109 -5.967 1.325 25 2HD2 LEU 4 2HD2 LEU 4 -16.566 -6.122 2.196 26 3HD2 LEU 4 3HD2 LEU 4 -17.796 -7.400 2.333 27 H ILE 5 H ILE 5 -22.216 -3.043 2.886 28 HA ILE 5 HA ILE 5 -22.244 -2.674 0.075 29 HB ILE 5 HB ILE 5 -24.392 -1.928 2.054 30 2HG1 ILE 5 2HG1 ILE 5 -25.230 -4.271 1.707 31 1HG2 ILE 5 1HG2 ILE 5 -24.199 -1.991 -0.832 32 2HG2 ILE 5 2HG2 ILE 5 -25.474 -3.090 -0.253 33 3HG2 ILE 5 3HG2 ILE 5 -25.500 -1.372 0.212 34 1HD1 ILE 5 1HD1 ILE 5 -23.754 -4.745 -0.304 35 2HD1 ILE 5 2HD1 ILE 5 -22.362 -4.784 0.805 36 3HD1 ILE 5 3HD1 ILE 5 -23.669 -5.981 0.974 37 H GLN 6 H GLN 6 -21.747 -0.599 2.883 38 HA GLN 6 HA GLN 6 -22.390 1.784 1.495 39 2HB GLN 6 2HB GLN 6 -20.852 2.607 3.616 40 2HG GLN 6 2HG GLN 6 -23.499 1.699 4.523 41 1HE2 GLN 6 1HE2 GLN 6 -21.192 3.095 5.466 42 2HE2 GLN 6 2HE2 GLN 6 -21.646 4.726 5.830 43 H VAL 7 H VAL 7 -19.296 0.225 2.599 44 HA VAL 7 HA VAL 7 -17.631 2.125 1.392 45 HB VAL 7 HB VAL 7 -16.878 0.704 3.170 46 1HG1 VAL 7 1HG1 VAL 7 -18.310 -1.308 1.951 47 2HG1 VAL 7 2HG1 VAL 7 -16.627 -1.789 1.629 48 3HG1 VAL 7 3HG1 VAL 7 -17.170 -1.521 3.303 49 1HG2 VAL 7 1HG2 VAL 7 -15.136 -0.525 1.180 50 2HG2 VAL 7 2HG2 VAL 7 -15.455 1.189 0.820 51 3HG2 VAL 7 3HG2 VAL 7 -14.778 0.723 2.398 52 H ARG 8 H ARG 8 -19.260 -0.825 0.208 53 HA ARG 8 HA ARG 8 -17.751 -1.056 -2.112 54 2HB ARG 8 2HB ARG 8 -20.117 -2.192 -2.847 55 2HG ARG 8 2HG ARG 8 -18.580 -3.518 -0.599 56 2HD ARG 8 2HD ARG 8 -20.473 -4.600 -2.065 57 HE ARG 8 HE ARG 8 -18.312 -5.051 -4.056 58 1HH1 ARG 8 2HH2 ARG 8 -21.431 -3.553 -3.293 59 2HH1 ARG 8 1HH2 ARG 8 -21.839 -3.264 -4.951 60 2HH2 ARG 8 1HH ARG 8 -20.306 -3.929 -6.669 61 H ASP 9 H ASP 9 -21.034 0.384 -1.473 62 HA ASP 9 HA ASP 9 -21.557 1.207 -4.012 63 2HB ASP 9 2HB ASP 9 -22.237 2.817 -1.514 64 HD2 ASP 9 HD ASP 9 -23.551 4.669 -2.551 65 H LEU 10 H LEU 10 -19.849 2.902 -1.291 66 HA LEU 10 HA LEU 10 -19.418 5.309 -2.647 67 2HB LEU 10 2HB LEU 10 -17.339 5.042 -0.843 68 HG LEU 10 HG LEU 10 -18.591 6.351 0.698 69 1HD1 LEU 10 1HD1 LEU 10 -18.398 8.081 -0.671 70 2HD1 LEU 10 2HD1 LEU 10 -18.469 6.997 -2.081 71 3HD1 LEU 10 3HD1 LEU 10 -19.968 7.677 -1.404 72 1HD2 LEU 10 1HD2 LEU 10 -21.101 5.519 -0.781 73 2HD2 LEU 10 2HD2 LEU 10 -20.596 4.964 0.832 74 3HD2 LEU 10 3HD2 LEU 10 -21.014 6.674 0.571 75 H LEU 11 H LEU 11 -17.325 2.379 -2.221 76 HA LEU 11 HA LEU 11 -15.166 3.340 -3.663 77 2HB LEU 11 2HB LEU 11 -14.984 0.710 -4.108 78 HG LEU 11 HG LEU 11 -14.672 1.955 -1.362 79 1HD1 LEU 11 1HD1 LEU 11 -14.492 -0.773 -2.173 80 2HD1 LEU 11 2HD1 LEU 11 -12.850 -0.189 -1.805 81 3HD1 LEU 11 3HD1 LEU 11 -14.139 -0.050 -0.586 82 1HD2 LEU 11 1HD2 LEU 11 -13.297 3.179 -2.832 83 2HD2 LEU 11 2HD2 LEU 11 -12.224 1.986 -2.061 84 3HD2 LEU 11 3HD2 LEU 11 -12.803 1.719 -3.723 85 H ALA 12 H ALA 12 -18.349 2.275 -4.699 86 HA ALA 12 HA ALA 12 -17.474 1.877 -7.429 87 1HB ALA 12 1HB ALA 12 -19.530 0.888 -7.737 88 2HB ALA 12 2HB ALA 12 -19.387 0.682 -5.975 89 3HB ALA 12 3HB ALA 12 -20.361 2.016 -6.639 90 H LEU 13 H LEU 13 -19.846 4.024 -5.691 91 HA LEU 13 HA LEU 13 -20.245 5.730 -7.848 92 2HB LEU 13 2HB LEU 13 -20.828 7.341 -5.838 93 HG LEU 13 HG LEU 13 -22.620 6.426 -7.138 94 1HD1 LEU 13 1HD1 LEU 13 -23.463 4.055 -6.483 95 2HD1 LEU 13 2HD1 LEU 13 -22.103 4.224 -7.617 96 3HD1 LEU 13 3HD1 LEU 13 -21.795 3.810 -5.914 97 1HD2 LEU 13 1HD2 LEU 13 -23.367 7.355 -5.083 98 2HD2 LEU 13 2HD2 LEU 13 -24.278 5.846 -5.333 99 3HD2 LEU 13 3HD2 LEU 13 -22.925 5.887 -4.178 100 H ARG 14 H ARG 14 -18.155 6.239 -4.913 101 HA ARG 14 HA ARG 14 -16.939 8.468 -6.133 102 2HB ARG 14 2HB ARG 14 -15.290 8.116 -4.107 103 2HG ARG 14 2HG ARG 14 -16.880 9.823 -3.772 104 2HD ARG 14 2HD ARG 14 -19.048 7.668 -3.874 105 HE ARG 14 HE ARG 14 -20.184 9.360 -2.720 106 1HH1 ARG 14 2HH2 ARG 14 -18.135 10.848 -5.199 107 2HH1 ARG 14 1HH2 ARG 14 -18.780 12.437 -4.954 108 2HH2 ARG 14 1HH ARG 14 -20.483 12.772 -3.302 109 H GLY 15 H GLY 15 -16.651 5.149 -6.665 110 1HA GLY 15 1HA GLY 15 -15.196 3.933 -7.880 111 2HA GLY 15 2HA GLY 15 -14.345 5.409 -8.289 112 H ARG 16 H ARG 16 -12.257 4.431 -8.041 113 HA ARG 16 HA ARG 16 -11.551 3.018 -5.767 114 2HB ARG 16 2HB ARG 16 -10.347 3.125 -8.048 115 2HG ARG 16 2HG ARG 16 -8.482 4.826 -8.129 116 2HD ARG 16 2HD ARG 16 -11.124 6.310 -7.921 117 HE ARG 16 HE ARG 16 -8.738 7.132 -8.931 118 1HH1 ARG 16 2HH2 ARG 16 -11.724 6.187 -10.589 119 2HH1 ARG 16 1HH2 ARG 16 -11.438 7.217 -11.953 120 2HH2 ARG 16 1HH ARG 16 -9.455 8.562 -12.014 121 H MET 17 H MET 17 -10.519 3.655 -3.810 122 HA MET 17 HA MET 17 -9.417 6.153 -3.402 123 2HB MET 17 2HB MET 17 -12.195 5.850 -2.144 124 2HG MET 17 2HG MET 17 -10.125 7.460 -1.340 125 1HE MET 17 1HE MET 17 -8.940 10.480 -2.715 126 2HE MET 17 2HE MET 17 -8.806 9.010 -1.720 127 3HE MET 17 3HE MET 17 -8.525 8.925 -3.475 128 H GLU 18 H GLU 18 -8.530 6.364 -1.241 129 HA GLU 18 HA GLU 18 -8.010 3.905 -0.057 130 2HB GLU 18 2HB GLU 18 -7.650 6.620 1.271 131 2HG GLU 18 2HG GLU 18 -6.926 3.983 2.014 132 HE2 GLU 18 HE GLU 18 -4.580 2.942 0.596 133 H ALA 19 H ALA 19 -8.634 3.052 2.036 134 HA ALA 19 HA ALA 19 -11.351 3.285 2.586 135 1HB ALA 19 1HB ALA 19 -10.746 1.365 3.587 136 2HB ALA 19 2HB ALA 19 -9.027 1.827 3.536 137 3HB ALA 19 3HB ALA 19 -10.045 2.333 4.906 138 H ALA 20 H ALA 20 -8.454 4.880 4.009 139 HA ALA 20 HA ALA 20 -9.473 6.009 6.235 140 1HB ALA 20 1HB ALA 20 -7.541 7.183 6.169 141 2HB ALA 20 2HB ALA 20 -7.208 6.293 4.664 142 3HB ALA 20 3HB ALA 20 -7.939 7.915 4.596 143 H GLN 21 H GLN 21 -10.117 6.914 2.827 144 HA GLN 21 HA GLN 21 -11.534 9.251 3.584 145 2HB GLN 21 2HB GLN 21 -12.325 8.800 1.010 146 2HG GLN 21 2HG GLN 21 -9.790 9.767 0.573 147 1HE2 GLN 21 1HE2 GLN 21 -12.608 10.579 2.585 148 2HE2 GLN 21 2HE2 GLN 21 -13.065 12.029 1.754 149 H ILE 22 H ILE 22 -12.434 5.968 2.321 150 HA ILE 22 HA ILE 22 -15.167 6.346 2.286 151 HB ILE 22 HB ILE 22 -13.527 3.863 2.794 152 2HG1 ILE 22 2HG1 ILE 22 -13.603 5.446 0.548 153 1HG2 ILE 22 1HG2 ILE 22 -16.214 3.583 1.613 154 2HG2 ILE 22 2HG2 ILE 22 -15.368 2.579 2.815 155 3HG2 ILE 22 3HG2 ILE 22 -16.192 4.072 3.325 156 1HD1 ILE 22 1HD1 ILE 22 -12.842 2.670 1.255 157 2HD1 ILE 22 2HD1 ILE 22 -13.158 2.915 -0.479 158 3HD1 ILE 22 3HD1 ILE 22 -11.932 3.903 0.351 159 H SER 23 H SER 23 -13.050 5.107 4.957 160 HA SER 23 HA SER 23 -14.986 4.576 6.763 161 2HB SER 23 2HB SER 23 -12.460 4.231 6.960 162 HG SER 23 HG SER 23 -11.223 5.947 7.229 163 H GLN 24 H GLN 24 -13.472 7.745 5.943 164 HA GLN 24 HA GLN 24 -14.683 9.166 8.004 165 2HB GLN 24 2HB GLN 24 -14.313 10.968 5.867 166 2HG GLN 24 2HG GLN 24 -11.918 10.273 7.507 167 1HE2 GLN 24 1HE2 GLN 24 -11.542 11.827 5.623 168 2HE2 GLN 24 2HE2 GLN 24 -11.711 13.517 5.959 169 H THR 25 H THR 25 -15.649 8.519 4.581 170 HA THR 25 HA THR 25 -17.930 10.147 4.590 171 HB THR 25 HB THR 25 -17.361 7.582 3.015 172 HG1 THR 25 1HG THR 25 -15.884 8.896 1.988 173 1HG2 THR 25 1HG2 THR 25 -19.475 8.238 2.236 174 2HG2 THR 25 2HG2 THR 25 -19.228 9.938 2.706 175 3HG2 THR 25 3HG2 THR 25 -18.447 9.297 1.241 176 H LEU 26 H LEU 26 -17.445 6.698 5.512 177 HA LEU 26 HA LEU 26 -20.251 6.454 6.126 178 2HB LEU 26 2HB LEU 26 -19.803 4.186 6.523 179 HG LEU 26 HG LEU 26 -17.685 4.805 4.459 180 1HD1 LEU 26 1HD1 LEU 26 -17.651 2.524 4.812 181 2HD1 LEU 26 2HD1 LEU 26 -19.398 2.436 5.141 182 3HD1 LEU 26 3HD1 LEU 26 -18.817 2.669 3.474 183 1HD2 LEU 26 1HD2 LEU 26 -20.500 5.505 4.381 184 2HD2 LEU 26 2HD2 LEU 26 -19.190 5.896 3.242 185 3HD2 LEU 26 3HD2 LEU 26 -20.073 4.360 3.087 186 H ASN 27 H ASN 27 -17.944 8.226 7.536 187 HA ASN 27 HA ASN 27 -17.463 8.902 9.545 188 2HB ASN 27 2HB ASN 27 -20.277 7.949 10.290 189 1HD2 ASN 27 1HD2 ASN 27 -18.942 11.162 10.411 190 2HD2 ASN 27 2HD2 ASN 27 -18.813 11.319 12.131 191 H THR 28 H THR 28 -16.340 6.433 9.197 192 HA THR 28 HA THR 28 -16.875 5.058 11.746 193 HB THR 28 HB THR 28 -17.369 4.070 9.153 194 HG1 THR 28 1HG THR 28 -18.225 2.745 10.703 195 1HG2 THR 28 1HG2 THR 28 -15.750 2.115 9.094 196 2HG2 THR 28 2HG2 THR 28 -14.978 3.671 8.705 197 3HG2 THR 28 3HG2 THR 28 -14.766 2.953 10.319 198 HA PRO 29 HA PRO 29 -12.662 5.349 12.498 199 2HB PRO 29 2HB PRO 29 -12.862 4.411 14.592 200 2HG PRO 29 2HG PRO 29 -14.683 3.021 14.854 201 2HD PRO 29 2HD PRO 29 -16.068 3.848 13.216 202 H GLN 30 H GLN 30 -10.767 5.289 11.432 203 HA GLN 30 HA GLN 30 -10.580 4.083 9.075 204 2HB GLN 30 2HB GLN 30 -8.013 3.998 10.557 205 2HG GLN 30 2HG GLN 30 -7.588 5.851 8.755 206 1HE2 GLN 30 1HE2 GLN 30 -9.145 3.949 6.585 207 2HE2 GLN 30 2HE2 GLN 30 -7.974 2.699 6.323 208 HA PRO 31 HA PRO 31 -8.827 0.160 11.091 209 2HB PRO 31 2HB PRO 31 -7.529 0.440 12.973 210 2HG PRO 31 2HG PRO 31 -7.883 2.420 14.102 211 2HD PRO 31 2HD PRO 31 -8.720 3.716 12.397 212 H MET 32 H MET 32 -11.214 0.486 10.019 213 HA MET 32 HA MET 32 -12.651 -1.582 11.423 214 2HB MET 32 2HB MET 32 -14.232 0.811 10.433 215 2HG MET 32 2HG MET 32 -15.277 -0.008 12.859 216 1HE MET 32 1HE MET 32 -17.265 -1.559 12.863 217 2HE MET 32 2HE MET 32 -18.432 -1.631 11.521 218 3HE MET 32 3HE MET 32 -17.110 -2.820 11.617 219 H ILE 33 H ILE 33 -12.497 0.675 8.599 220 HA ILE 33 HA ILE 33 -14.053 -1.069 6.960 221 HB ILE 33 HB ILE 33 -12.381 1.367 6.339 222 2HG1 ILE 33 2HG1 ILE 33 -14.536 2.530 6.231 223 1HG2 ILE 33 1HG2 ILE 33 -12.512 0.673 4.218 224 2HG2 ILE 33 2HG2 ILE 33 -13.752 -0.550 4.588 225 3HG2 ILE 33 3HG2 ILE 33 -14.225 1.145 4.322 226 1HD1 ILE 33 1HD1 ILE 33 -15.782 0.234 5.791 227 2HD1 ILE 33 2HD1 ILE 33 -15.843 0.156 7.568 228 3HD1 ILE 33 3HD1 ILE 33 -16.597 1.521 6.712 229 H ASN 34 H ASN 34 -10.589 -0.476 7.617 230 HA ASN 34 HA ASN 34 -9.484 -1.692 5.472 231 2HB ASN 34 2HB ASN 34 -7.685 -2.457 7.275 232 1HD2 ASN 34 1HD2 ASN 34 -7.987 0.369 8.791 233 2HD2 ASN 34 2HD2 ASN 34 -7.252 1.468 7.672 234 H ALA 35 H ALA 35 -10.965 -3.097 8.438 235 HA ALA 35 HA ALA 35 -10.097 -5.713 8.174 236 1HB ALA 35 1HB ALA 35 -11.117 -5.258 10.202 237 2HB ALA 35 2HB ALA 35 -12.419 -4.300 9.456 238 3HB ALA 35 3HB ALA 35 -12.454 -6.077 9.359 239 H MET 36 H MET 36 -12.989 -4.032 6.788 240 HA MET 36 HA MET 36 -14.041 -6.297 5.590 241 2HB MET 36 2HB MET 36 -15.436 -4.694 4.367 242 2HG MET 36 2HG MET 36 -15.157 -2.772 6.497 243 1HE MET 36 1HE MET 36 -16.924 -4.826 8.592 244 2HE MET 36 2HE MET 36 -18.226 -5.692 7.742 245 3HE MET 36 3HE MET 36 -16.530 -6.169 7.493 246 H LEU 37 H LEU 37 -11.942 -3.659 4.233 247 HA LEU 37 HA LEU 37 -11.787 -4.628 1.659 248 2HB LEU 37 2HB LEU 37 -9.530 -3.409 1.694 249 HG LEU 37 HG LEU 37 -12.152 -2.091 2.340 250 1HD1 LEU 37 1HD1 LEU 37 -10.582 -0.706 3.525 251 2HD1 LEU 37 2HD1 LEU 37 -9.481 -0.679 2.127 252 3HD1 LEU 37 3HD1 LEU 37 -11.067 0.123 2.026 253 1HD2 LEU 37 1HD2 LEU 37 -11.175 -1.008 0.021 254 2HD2 LEU 37 2HD2 LEU 37 -10.532 -2.667 -0.042 255 3HD2 LEU 37 3HD2 LEU 37 -12.283 -2.399 0.127 256 H GLN 38 H GLN 38 -9.935 -5.530 4.606 257 HA GLN 38 HA GLN 38 -8.068 -7.100 3.304 258 2HB GLN 38 2HB GLN 38 -8.815 -8.111 5.960 259 2HG GLN 38 2HG GLN 38 -6.400 -6.464 5.770 260 1HE2 GLN 38 1HE2 GLN 38 -6.069 -7.163 7.815 261 2HE2 GLN 38 2HE2 GLN 38 -5.730 -8.803 8.256 262 H GLN 39 H GLN 39 -11.354 -7.824 4.589 263 HA GLN 39 HA GLN 39 -11.168 -10.579 4.177 264 2HB GLN 39 2HB GLN 39 -13.876 -9.399 3.951 265 2HG GLN 39 2HG GLN 39 -12.426 -11.351 5.781 266 1HE2 GLN 39 1HE2 GLN 39 -12.968 -11.105 7.813 267 2HE2 GLN 39 2HE2 GLN 39 -14.553 -10.801 8.442 268 H LEU 40 H LEU 40 -12.629 -7.899 2.213 269 HA LEU 40 HA LEU 40 -13.563 -9.491 0.147 270 2HB LEU 40 2HB LEU 40 -13.427 -7.369 -1.181 271 HG LEU 40 HG LEU 40 -14.652 -7.151 1.581 272 1HD1 LEU 40 1HD1 LEU 40 -14.200 -5.076 -0.280 273 2HD1 LEU 40 2HD1 LEU 40 -15.931 -5.481 -0.376 274 3HD1 LEU 40 3HD1 LEU 40 -15.207 -5.041 1.189 275 1HD2 LEU 40 1HD2 LEU 40 -16.609 -7.361 -0.446 276 2HD2 LEU 40 2HD2 LEU 40 -15.388 -8.614 -0.777 277 3HD2 LEU 40 3HD2 LEU 40 -16.190 -8.550 0.811 278 H GLU 41 H GLU 41 -10.351 -7.910 0.647 279 HA GLU 41 HA GLU 41 -9.292 -8.574 -1.793 280 2HB GLU 41 2HB GLU 41 -7.913 -8.308 0.914 281 2HG GLU 41 2HG GLU 41 -6.391 -7.503 -1.455 282 HE2 GLU 41 HE GLU 41 -3.787 -8.301 0.548 283 H SER 42 H SER 42 -9.196 -10.399 1.342 284 HA SER 42 HA SER 42 -7.653 -12.477 0.490 285 2HB SER 42 2HB SER 42 -10.025 -12.794 2.371 286 HG SER 42 HG SER 42 -7.946 -13.907 3.450 287 H MET 43 H MET 43 -11.236 -12.016 0.270 288 HA MET 43 HA MET 43 -11.683 -14.543 -0.864 289 2HB MET 43 2HB MET 43 -13.926 -13.358 -1.520 290 2HG MET 43 2HG MET 43 -13.515 -12.794 1.381 291 1HE MET 43 1HE MET 43 -14.212 -16.061 0.818 292 2HE MET 43 2HE MET 43 -15.889 -16.186 1.400 293 3HE MET 43 3HE MET 43 -15.549 -16.209 -0.346 294 H GLY 44 H GLY 44 -11.312 -11.211 -2.224 295 1HA GLY 44 1HA GLY 44 -10.160 -10.907 -4.279 296 2HA GLY 44 2HA GLY 44 -10.767 -12.450 -4.844 297 H LYS 45 H LYS 45 -12.464 -9.683 -3.216 298 HA LYS 45 HA LYS 45 -14.341 -9.704 -5.464 299 2HB LYS 45 2HB LYS 45 -16.005 -9.000 -4.004 300 2HG LYS 45 2HG LYS 45 -15.702 -10.365 -1.871 301 2HD LYS 45 2HD LYS 45 -14.714 -12.281 -3.864 302 2HE LYS 45 2HE LYS 45 -16.724 -12.091 -1.863 303 1HZ LYS 45 1HZ LYS 45 -18.337 -11.362 -3.446 304 2HZ LYS 45 2HZ LYS 45 -17.849 -12.417 -4.588 305 H ALA 46 H ALA 46 -12.293 -7.593 -3.377 306 HA ALA 46 HA ALA 46 -12.807 -5.388 -5.224 307 1HB ALA 46 1HB ALA 46 -11.712 -4.030 -3.460 308 2HB ALA 46 2HB ALA 46 -13.090 -4.958 -2.821 309 3HB ALA 46 3HB ALA 46 -11.425 -5.509 -2.512 310 H VAL 47 H VAL 47 -10.709 -3.967 -5.586 311 HA VAL 47 HA VAL 47 -8.475 -5.792 -6.138 312 HB VAL 47 HB VAL 47 -8.118 -4.561 -8.242 313 1HG1 VAL 47 1HG1 VAL 47 -9.733 -5.742 -9.516 314 2HG1 VAL 47 2HG1 VAL 47 -9.471 -6.713 -8.048 315 3HG1 VAL 47 3HG1 VAL 47 -10.924 -5.697 -8.195 316 1HG2 VAL 47 1HG2 VAL 47 -9.614 -2.575 -7.275 317 2HG2 VAL 47 2HG2 VAL 47 -9.441 -2.865 -9.022 318 3HG2 VAL 47 3HG2 VAL 47 -10.888 -3.442 -8.163 319 H ARG 48 H ARG 48 -6.356 -4.660 -6.299 320 HA ARG 48 HA ARG 48 -6.320 -2.579 -4.322 321 2HB ARG 48 2HB ARG 48 -3.919 -3.834 -5.730 322 2HG ARG 48 2HG ARG 48 -3.780 -1.761 -4.116 323 2HD ARG 48 2HD ARG 48 -4.878 -3.884 -2.369 324 HE ARG 48 HE ARG 48 -2.764 -2.353 -1.001 325 1HH1 ARG 48 2HH2 ARG 48 -3.649 -5.443 -2.494 326 2HH1 ARG 48 1HH2 ARG 48 -2.425 -6.338 -1.658 327 2HH2 ARG 48 1HH ARG 48 -0.967 -5.196 -0.137 328 H ILE 49 H ILE 49 -5.575 -0.435 -4.700 329 HA ILE 49 HA ILE 49 -5.039 0.188 -7.522 330 HB ILE 49 HB ILE 49 -6.564 1.799 -5.472 331 2HG1 ILE 49 2HG1 ILE 49 -8.516 1.269 -6.585 332 1HG2 ILE 49 1HG2 ILE 49 -5.851 3.576 -6.620 333 2HG2 ILE 49 2HG2 ILE 49 -5.201 2.579 -7.942 334 3HG2 ILE 49 3HG2 ILE 49 -6.928 3.011 -7.920 335 1HD1 ILE 49 1HD1 ILE 49 -8.473 1.513 -8.846 336 2HD1 ILE 49 2HD1 ILE 49 -6.741 1.115 -8.933 337 3HD1 ILE 49 3HD1 ILE 49 -7.951 -0.189 -8.898 338 H GLN 50 H GLN 50 -3.426 1.780 -7.953 339 HA GLN 50 HA GLN 50 -1.689 2.189 -5.647 340 2HB GLN 50 2HB GLN 50 -1.059 1.902 -8.612 341 2HG GLN 50 2HG GLN 50 0.584 2.996 -6.323 342 1HE2 GLN 50 1HE2 GLN 50 2.924 3.375 -7.212 343 2HE2 GLN 50 2HE2 GLN 50 3.768 1.946 -7.709 344 H GLU 51 H GLU 51 -0.592 4.278 -5.443 345 HA GLU 51 HA GLU 51 -2.249 6.372 -6.544 346 2HB GLU 51 2HB GLU 51 -0.113 7.236 -4.726 347 2HG GLU 51 2HG GLU 51 -2.695 7.425 -3.538 348 HE2 GLU 51 HE GLU 51 -2.534 9.711 -5.893 349 H GLU 52 H GLU 52 -0.926 8.535 -7.028 350 HA GLU 52 HA GLU 52 0.410 8.212 -9.314 351 2HB GLU 52 2HB GLU 52 1.599 10.482 -8.531 352 2HG GLU 52 2HG GLU 52 -1.144 11.223 -8.530 353 HE2 GLU 52 HE GLU 52 0.849 11.345 -12.005 354 HA PRO 53 HA PRO 53 4.302 6.584 -8.254 355 2HB PRO 53 2HB PRO 53 4.525 5.593 -10.320 356 2HG PRO 53 2HG PRO 53 3.188 6.495 -11.970 357 2HD PRO 53 2HD PRO 53 1.513 7.404 -10.686 358 H ASP 54 H ASP 54 6.831 7.309 -9.162 359 HA ASP 54 HA ASP 54 7.254 10.018 -9.017 360 2HB ASP 54 2HB ASP 54 7.459 8.544 -6.357 361 HD2 ASP 54 HD ASP 54 9.829 9.165 -5.720 362 H GLY 55 H GLY 55 9.511 10.393 -9.444 363 1HA GLY 55 1HA GLY 55 11.724 9.113 -8.721 364 2HA GLY 55 2HA GLY 55 11.089 7.989 -9.906 365 H CYS 56 H CYS 56 13.571 9.368 -10.245 366 HA CYS 56 HA CYS 56 13.042 10.569 -12.774 367 2HB CYS 56 2HB CYS 56 14.342 12.337 -10.679 368 HG CYS 56 HG CYS 56 15.180 13.785 -12.347 369 H LEU 57 H LEU 57 14.829 10.170 -14.106 370 HA LEU 57 HA LEU 57 16.767 8.396 -13.269 371 2HB LEU 57 2HB LEU 57 17.929 9.558 -15.415 372 HG LEU 57 HG LEU 57 16.693 8.070 -16.892 373 1HD1 LEU 57 1HD1 LEU 57 18.277 7.308 -14.758 374 2HD1 LEU 57 2HD1 LEU 57 16.875 6.218 -14.642 375 3HD1 LEU 57 3HD1 LEU 57 17.819 6.296 -16.148 376 1HD2 LEU 57 1HD2 LEU 57 14.639 7.239 -16.525 377 2HD2 LEU 57 2HD2 LEU 57 14.946 6.943 -14.797 378 3HD2 LEU 57 3HD2 LEU 57 14.508 8.574 -15.356 379 H SER 58 H SER 58 18.762 8.550 -12.318 380 HA SER 58 HA SER 58 20.032 11.111 -12.217 381 2HB SER 58 2HB SER 58 20.289 10.718 -9.600 382 HG SER 58 HG SER 58 17.725 11.633 -9.857 383 H GLY 59 H GLY 59 22.312 10.919 -11.747 384 1HA GLY 59 1HA GLY 59 23.259 8.118 -11.681 385 2HA GLY 59 2HA GLY 59 24.055 9.431 -12.525 386 H SER 60 H SER 60 22.834 8.632 -9.190 387 HA SER 60 HA SER 60 25.313 9.819 -8.213 388 2HB SER 60 2HB SER 60 23.767 10.140 -6.052 389 HG SER 60 HG SER 60 24.008 11.758 -8.400 390 H CYS 61 H CYS 61 25.781 8.950 -5.840 391 HA CYS 61 HA CYS 61 24.716 6.379 -5.260 392 2HB CYS 61 2HB CYS 61 26.250 5.718 -7.060 393 HG CYS 61 HG CYS 61 27.930 7.529 -7.354 394 H LYS 62 H LYS 62 25.853 5.516 -3.204 395 HA LYS 62 HA LYS 62 26.652 5.809 -1.165 396 2HB LYS 62 2HB LYS 62 28.146 8.221 -1.248 397 2HG LYS 62 2HG LYS 62 30.021 6.329 -1.574 398 2HD LYS 62 2HD LYS 62 29.028 5.610 0.953 399 2HE LYS 62 2HE LYS 62 30.664 8.085 0.220 400 1HZ LYS 62 1HZ LYS 62 30.108 6.669 2.716 401 2HZ LYS 62 2HZ LYS 62 31.638 7.183 2.501 402 H SER 63 H SER 63 26.255 7.054 0.822 403 HA SER 63 HA SER 63 25.047 8.321 2.105 404 2HB SER 63 2HB SER 63 24.266 10.353 0.067 405 HG SER 63 HG SER 63 24.111 10.920 2.259 406 H CYS 64 H CYS 64 22.964 7.927 2.804 407 HA CYS 64 HA CYS 64 20.726 8.312 1.164 408 2HB CYS 64 2HB CYS 64 21.459 6.267 0.034 409 HG CYS 64 HG CYS 64 22.837 5.547 2.391 410 HA PRO 65 HA PRO 65 19.192 8.256 5.243 411 2HB PRO 65 2HB PRO 65 17.503 9.728 4.709 412 2HG PRO 65 2HG PRO 65 16.959 9.796 2.468 413 2HD PRO 65 2HD PRO 65 18.930 9.055 1.547 414 H GLU 66 H GLU 66 16.870 7.155 6.317 415 HA GLU 66 HA GLU 66 17.280 4.340 5.728 416 2HB GLU 66 2HB GLU 66 17.315 5.614 8.497 417 2HG GLU 66 2HG GLU 66 16.404 2.991 7.682 418 HE2 GLU 66 HE GLU 66 19.643 1.531 7.888 419 H GLY 67 H GLY 67 15.310 3.725 4.930 420 1HA GLY 67 1HA GLY 67 13.074 3.254 6.245 421 2HA GLY 67 2HA GLY 67 12.891 4.977 5.987 422 H LYS 68 H LYS 68 11.228 2.807 4.878 423 HA LYS 68 HA LYS 68 11.094 3.735 2.226 424 2HB LYS 68 2HB LYS 68 13.075 2.300 1.940 425 2HG LYS 68 2HG LYS 68 12.038 0.614 3.774 426 2HD LYS 68 2HD LYS 68 11.575 -1.270 1.609 427 2HE LYS 68 2HE LYS 68 9.279 -0.509 3.315 428 1HZ LYS 68 1HZ LYS 68 9.380 -2.669 2.340 429 2HZ LYS 68 2HZ LYS 68 10.890 -2.960 2.876 430 H ALA 69 H ALA 69 9.235 2.727 1.065 431 HA ALA 69 HA ALA 69 7.618 0.789 2.190 432 1HB ALA 69 1HB ALA 69 7.000 3.625 3.085 433 2HB ALA 69 2HB ALA 69 5.781 2.328 3.076 434 3HB ALA 69 3HB ALA 69 7.232 2.180 4.097 435 H CYS 70 H CYS 70 5.554 0.598 0.999 436 HA CYS 70 HA CYS 70 5.887 1.630 -1.647 437 2HB CYS 70 2HB CYS 70 3.812 0.270 -2.109 438 HG CYS 70 HG CYS 70 5.400 -1.303 -2.880 439 H LEU 71 H LEU 71 4.284 2.978 -2.755 440 HA LEU 71 HA LEU 71 3.413 5.144 -1.307 441 2HB LEU 71 2HB LEU 71 1.798 5.281 -3.422 442 HG LEU 71 HG LEU 71 3.610 6.171 -4.813 443 1HD1 LEU 71 1HD1 LEU 71 3.783 7.010 -1.905 444 2HD1 LEU 71 2HD1 LEU 71 4.370 7.954 -3.294 445 3HD1 LEU 71 3HD1 LEU 71 2.632 7.614 -3.121 446 1HD2 LEU 71 1HD2 LEU 71 5.370 4.603 -4.431 447 2HD2 LEU 71 2HD2 LEU 71 5.941 6.202 -3.898 448 3HD2 LEU 71 3HD2 LEU 71 5.426 4.995 -2.696 449 H ARG 72 H ARG 72 1.111 5.900 -0.978 450 HA ARG 72 HA ARG 72 -0.171 4.068 0.650 451 2HB ARG 72 2HB ARG 72 -2.113 5.993 -0.004 452 2HG ARG 72 2HG ARG 72 -0.248 7.085 1.926 453 2HD ARG 72 2HD ARG 72 -2.692 5.419 2.601 454 HE ARG 72 HE ARG 72 -1.113 7.152 4.102 455 1HH1 ARG 72 2HH2 ARG 72 -4.522 7.111 3.135 456 2HH1 ARG 72 1HH2 ARG 72 -5.059 7.970 4.540 457 2HH2 ARG 72 1HH ARG 72 -3.454 8.651 6.185 458 H GLU 73 H GLU 73 -0.722 2.135 -0.488 459 HA GLU 73 HA GLU 73 -1.896 2.113 -2.984 460 2HB GLU 73 2HB GLU 73 -2.561 -0.249 -2.364 461 2HG GLU 73 2HG GLU 73 0.175 0.914 -2.132 462 HE2 GLU 73 HE GLU 73 1.927 -1.422 -1.732 463 H TRP 74 H TRP 74 -4.027 2.189 -3.726 464 HA TRP 74 HA TRP 74 -5.989 2.976 -1.703 465 2HB TRP 74 2HB TRP 74 -7.275 3.624 -3.854 466 HD1 TRP 74 HD TRP 74 -5.310 4.837 -1.184 467 HE1 TRP 74 1HE TRP 74 -4.823 7.430 -1.174 468 HE3 TRP 74 3HE TRP 74 -6.469 5.603 -6.074 469 HZ2 TRP 74 2HZ TRP 74 -4.974 9.466 -3.168 470 HZ3 TRP 74 3HZ TRP 74 -6.273 7.924 -6.964 471 HH2 TRP 74 HH TRP 74 -5.555 9.819 -5.597 472 H TRP 75 H TRP 75 -8.343 2.191 -2.400 473 HA TRP 75 HA TRP 75 -8.125 -0.620 -3.235 474 2HB TRP 75 2HB TRP 75 -10.001 -1.063 -1.634 475 HD1 TRP 75 HD TRP 75 -7.656 0.893 0.657 476 HE1 TRP 75 1HE TRP 75 -5.927 -0.689 1.870 477 HE3 TRP 75 3HE TRP 75 -8.745 -3.261 -2.067 478 HZ2 TRP 75 2HZ TRP 75 -5.225 -3.437 1.561 479 HZ3 TRP 75 3HZ TRP 75 -7.492 -5.352 -1.547 480 HH2 TRP 75 HH TRP 75 -5.784 -5.483 0.196 481 H ALA 76 H ALA 76 -9.928 -1.387 -4.502 482 HA ALA 76 HA ALA 76 -12.040 0.474 -5.122 483 1HB ALA 76 1HB ALA 76 -11.464 0.178 -7.638 484 2HB ALA 76 2HB ALA 76 -10.524 1.360 -6.695 485 3HB ALA 76 3HB ALA 76 -9.831 -0.237 -7.065 486 H LEU 77 H LEU 77 -13.378 -0.688 -7.078 487 HA LEU 77 HA LEU 77 -13.726 -3.418 -6.102 488 2HB LEU 77 2HB LEU 77 -15.941 -3.277 -6.764 489 HG LEU 77 HG LEU 77 -15.257 -0.416 -6.033 490 1HD1 LEU 77 1HD1 LEU 77 -17.775 -0.782 -5.124 491 2HD1 LEU 77 2HD1 LEU 77 -17.380 -0.068 -6.706 492 3HD1 LEU 77 3HD1 LEU 77 -17.819 -1.789 -6.591 493 1HD2 LEU 77 1HD2 LEU 77 -16.287 -1.380 -3.781 494 2HD2 LEU 77 2HD2 LEU 77 -15.638 -2.903 -4.431 495 3HD2 LEU 77 3HD2 LEU 77 -14.555 -1.516 -4.166 496 H ARG 78 H ARG 78 -14.209 -5.140 -7.721 497 HA ARG 78 HA ARG 78 -12.204 -5.166 -9.636 498 2HB ARG 78 2HB ARG 78 -14.686 -6.945 -9.413 499 2HG ARG 78 2HG ARG 78 -13.333 -7.094 -11.582 500 2HD ARG 78 2HD ARG 78 -11.215 -8.042 -9.594 501 HE ARG 78 HE ARG 78 -11.648 -8.883 -12.335 502 1HH1 ARG 78 2HH2 ARG 78 -9.093 -8.025 -10.035 503 2HH1 ARG 78 1HH2 ARG 78 -7.881 -8.963 -10.842 504 2HH2 ARG 78 1HH ARG 78 -8.466 -10.188 -12.817 Start of MODEL 7 1 1H MET 1 H MET 1 -25.539 5.576 10.301 2 HA MET 1 HA MET 1 -25.536 3.198 9.307 3 2HB MET 1 2HB MET 1 -24.866 4.781 7.015 4 2HG MET 1 2HG MET 1 -27.509 4.273 8.458 5 1HE MET 1 1HE MET 1 -29.597 4.139 6.914 6 2HE MET 1 2HE MET 1 -29.879 5.185 5.501 7 3HE MET 1 3HE MET 1 -28.888 3.716 5.337 8 H ALA 2 H ALA 2 -24.196 1.608 8.506 9 HA ALA 2 HA ALA 2 -21.774 2.190 7.184 10 1HB ALA 2 1HB ALA 2 -21.567 1.185 10.052 11 2HB ALA 2 2HB ALA 2 -20.222 1.287 8.890 12 3HB ALA 2 3HB ALA 2 -21.024 2.772 9.455 13 H SER 3 H SER 3 -20.971 0.317 6.144 14 HA SER 3 HA SER 3 -21.401 -2.242 6.867 15 2HB SER 3 2HB SER 3 -23.758 -2.151 6.772 16 HG SER 3 HG SER 3 -23.303 -0.184 4.873 17 H LEU 4 H LEU 4 -21.030 -3.799 4.956 18 HA LEU 4 HA LEU 4 -18.969 -2.848 3.369 19 2HB LEU 4 2HB LEU 4 -19.857 -5.057 2.039 20 HG LEU 4 HG LEU 4 -18.208 -4.896 4.565 21 1HD1 LEU 4 1HD1 LEU 4 -19.556 -7.174 3.835 22 2HD1 LEU 4 2HD1 LEU 4 -17.984 -7.386 3.028 23 3HD1 LEU 4 3HD1 LEU 4 -18.052 -7.117 4.786 24 1HD2 LEU 4 1HD2 LEU 4 -16.848 -4.033 2.967 25 2HD2 LEU 4 2HD2 LEU 4 -16.515 -5.758 2.689 26 3HD2 LEU 4 3HD2 LEU 4 -17.663 -4.894 1.639 27 H ILE 5 H ILE 5 -22.499 -3.075 2.789 28 HA ILE 5 HA ILE 5 -22.467 -2.609 0.059 29 HB ILE 5 HB ILE 5 -24.552 -1.633 2.005 30 2HG1 ILE 5 2HG1 ILE 5 -25.567 -3.953 1.569 31 1HG2 ILE 5 1HG2 ILE 5 -24.458 -2.184 -0.932 32 2HG2 ILE 5 2HG2 ILE 5 -25.968 -2.504 -0.047 33 3HG2 ILE 5 3HG2 ILE 5 -25.259 -0.872 -0.033 34 1HD1 ILE 5 1HD1 ILE 5 -24.090 -5.741 1.017 35 2HD1 ILE 5 2HD1 ILE 5 -23.731 -4.483 -0.190 36 3HD1 ILE 5 3HD1 ILE 5 -22.648 -4.715 1.202 37 H GLN 6 H GLN 6 -22.301 -0.350 2.854 38 HA GLN 6 HA GLN 6 -22.616 1.970 1.407 39 2HB GLN 6 2HB GLN 6 -20.866 2.644 3.480 40 2HG GLN 6 2HG GLN 6 -23.699 2.190 4.273 41 1HE2 GLN 6 1HE2 GLN 6 -21.314 4.566 3.101 42 2HE2 GLN 6 2HE2 GLN 6 -21.423 5.664 4.436 43 H VAL 7 H VAL 7 -19.573 0.247 2.399 44 HA VAL 7 HA VAL 7 -17.879 2.041 1.043 45 HB VAL 7 HB VAL 7 -17.527 -0.794 2.029 46 1HG1 VAL 7 1HG1 VAL 7 -15.689 0.995 0.529 47 2HG1 VAL 7 2HG1 VAL 7 -15.004 0.170 1.949 48 3HG1 VAL 7 3HG1 VAL 7 -15.735 -0.781 0.634 49 1HG2 VAL 7 1HG2 VAL 7 -17.172 1.928 3.220 50 2HG2 VAL 7 2HG2 VAL 7 -17.774 0.424 3.957 51 3HG2 VAL 7 3HG2 VAL 7 -16.028 0.647 3.689 52 H ARG 8 H ARG 8 -19.270 -1.194 0.194 53 HA ARG 8 HA ARG 8 -17.991 -1.538 -2.164 54 2HB ARG 8 2HB ARG 8 -20.273 -2.732 -2.817 55 2HG ARG 8 2HG ARG 8 -19.280 -3.803 -0.207 56 2HD ARG 8 2HD ARG 8 -20.642 -5.130 -1.875 57 HE ARG 8 HE ARG 8 -18.600 -4.217 -3.716 58 1HH1 ARG 8 2HH2 ARG 8 -20.692 -6.989 -3.011 59 2HH1 ARG 8 1HH2 ARG 8 -20.696 -7.560 -4.645 60 2HH2 ARG 8 1HH ARG 8 -19.463 -6.357 -6.312 61 H ASP 9 H ASP 9 -20.907 0.432 -1.410 62 HA ASP 9 HA ASP 9 -21.458 1.000 -4.113 63 2HB ASP 9 2HB ASP 9 -22.276 2.766 -1.784 64 HD2 ASP 9 HD ASP 9 -23.650 0.884 -4.373 65 H LEU 10 H LEU 10 -19.893 2.731 -1.328 66 HA LEU 10 HA LEU 10 -19.397 5.132 -2.628 67 2HB LEU 10 2HB LEU 10 -17.323 4.830 -0.840 68 HG LEU 10 HG LEU 10 -18.569 6.071 0.744 69 1HD1 LEU 10 1HD1 LEU 10 -18.091 7.076 -1.601 70 2HD1 LEU 10 2HD1 LEU 10 -19.857 6.998 -1.808 71 3HD1 LEU 10 3HD1 LEU 10 -19.159 7.949 -0.477 72 1HD2 LEU 10 1HD2 LEU 10 -21.049 5.025 -0.638 73 2HD2 LEU 10 2HD2 LEU 10 -20.515 4.731 1.035 74 3HD2 LEU 10 3HD2 LEU 10 -21.058 6.355 0.547 75 H LEU 11 H LEU 11 -17.326 2.174 -2.291 76 HA LEU 11 HA LEU 11 -15.150 3.147 -3.685 77 2HB LEU 11 2HB LEU 11 -15.036 0.535 -4.265 78 HG LEU 11 HG LEU 11 -14.755 1.415 -1.386 79 1HD1 LEU 11 1HD1 LEU 11 -12.819 -0.428 -2.659 80 2HD1 LEU 11 2HD1 LEU 11 -13.539 -0.451 -1.032 81 3HD1 LEU 11 3HD1 LEU 11 -14.466 -1.060 -2.424 82 1HD2 LEU 11 1HD2 LEU 11 -13.427 3.045 -2.195 83 2HD2 LEU 11 2HD2 LEU 11 -12.255 1.717 -2.371 84 3HD2 LEU 11 3HD2 LEU 11 -13.216 2.246 -3.772 85 H ALA 12 H ALA 12 -18.344 2.172 -4.795 86 HA ALA 12 HA ALA 12 -17.458 1.913 -7.536 87 1HB ALA 12 1HB ALA 12 -20.182 1.881 -7.619 88 2HB ALA 12 2HB ALA 12 -19.186 0.448 -7.270 89 3HB ALA 12 3HB ALA 12 -19.907 1.378 -5.934 90 H LEU 13 H LEU 13 -19.797 4.011 -5.696 91 HA LEU 13 HA LEU 13 -20.191 5.824 -7.752 92 2HB LEU 13 2HB LEU 13 -20.696 7.365 -5.685 93 HG LEU 13 HG LEU 13 -22.862 6.439 -5.358 94 1HD1 LEU 13 1HD1 LEU 13 -23.555 6.921 -7.418 95 2HD1 LEU 13 2HD1 LEU 13 -21.837 7.014 -7.875 96 3HD1 LEU 13 3HD1 LEU 13 -22.741 5.499 -8.112 97 1HD2 LEU 13 1HD2 LEU 13 -21.848 3.849 -6.564 98 2HD2 LEU 13 2HD2 LEU 13 -22.187 4.138 -4.841 99 3HD2 LEU 13 3HD2 LEU 13 -23.511 4.188 -6.029 100 H ARG 14 H ARG 14 -17.997 6.146 -4.866 101 HA ARG 14 HA ARG 14 -16.771 8.406 -6.003 102 2HB ARG 14 2HB ARG 14 -15.022 7.795 -4.076 103 2HG ARG 14 2HG ARG 14 -16.419 9.661 -3.661 104 2HD ARG 14 2HD ARG 14 -18.783 7.720 -3.670 105 HE ARG 14 HE ARG 14 -18.743 10.030 -2.246 106 1HH1 ARG 14 2HH2 ARG 14 -20.250 9.302 -5.368 107 2HH1 ARG 14 1HH2 ARG 14 -21.525 10.456 -5.162 108 2HH2 ARG 14 1HH ARG 14 -21.608 11.769 -3.159 109 H GLY 15 H GLY 15 -16.516 5.042 -6.583 110 1HA GLY 15 1HA GLY 15 -15.159 3.876 -7.958 111 2HA GLY 15 2HA GLY 15 -14.325 5.361 -8.372 112 H ARG 16 H ARG 16 -12.184 4.641 -8.205 113 HA ARG 16 HA ARG 16 -11.388 3.111 -5.969 114 2HB ARG 16 2HB ARG 16 -10.186 2.741 -8.023 115 2HG ARG 16 2HG ARG 16 -10.289 5.705 -8.178 116 2HD ARG 16 2HD ARG 16 -7.722 4.198 -8.552 117 HE ARG 16 HE ARG 16 -7.581 4.861 -10.780 118 1HH1 ARG 16 2HH2 ARG 16 -9.468 7.295 -9.027 119 2HH1 ARG 16 1HH2 ARG 16 -9.628 8.338 -10.401 120 2HH2 ARG 16 1HH ARG 16 -8.637 7.696 -12.486 121 H MET 17 H MET 17 -10.779 3.893 -3.970 122 HA MET 17 HA MET 17 -9.456 6.428 -3.831 123 2HB MET 17 2HB MET 17 -11.172 7.099 -1.940 124 2HG MET 17 2HG MET 17 -12.744 8.099 -3.608 125 1HE MET 17 1HE MET 17 -11.404 10.740 -5.238 126 2HE MET 17 2HE MET 17 -10.610 9.679 -6.426 127 3HE MET 17 3HE MET 17 -12.234 9.276 -5.818 128 H GLU 18 H GLU 18 -9.075 6.924 -1.284 129 HA GLU 18 HA GLU 18 -7.863 4.516 -0.335 130 2HB GLU 18 2HB GLU 18 -6.538 6.521 -0.181 131 2HG GLU 18 2HG GLU 18 -7.653 8.219 1.682 132 HE2 GLU 18 HE GLU 18 -7.561 8.674 -2.286 133 H ALA 19 H ALA 19 -8.080 3.881 2.044 134 HA ALA 19 HA ALA 19 -10.813 3.475 2.623 135 1HB ALA 19 1HB ALA 19 -9.071 3.014 4.887 136 2HB ALA 19 2HB ALA 19 -9.897 1.828 3.847 137 3HB ALA 19 3HB ALA 19 -8.286 2.438 3.397 138 H ALA 20 H ALA 20 -8.266 5.709 3.838 139 HA ALA 20 HA ALA 20 -9.449 6.711 6.057 140 1HB ALA 20 1HB ALA 20 -8.364 8.868 4.448 141 2HB ALA 20 2HB ALA 20 -7.681 8.090 5.897 142 3HB ALA 20 3HB ALA 20 -7.357 7.409 4.284 143 H GLN 21 H GLN 21 -10.265 7.360 2.621 144 HA GLN 21 HA GLN 21 -12.090 9.412 3.290 145 2HB GLN 21 2HB GLN 21 -12.812 8.534 0.754 146 2HG GLN 21 2HG GLN 21 -10.525 10.173 0.396 147 1HE2 GLN 21 1HE2 GLN 21 -12.756 9.417 -0.984 148 2HE2 GLN 21 2HE2 GLN 21 -13.807 10.767 -1.255 149 H ILE 22 H ILE 22 -12.389 5.937 2.289 150 HA ILE 22 HA ILE 22 -15.135 5.788 2.270 151 HB ILE 22 HB ILE 22 -13.019 3.750 2.945 152 2HG1 ILE 22 2HG1 ILE 22 -13.368 4.962 0.598 153 1HG2 ILE 22 1HG2 ILE 22 -15.993 3.508 2.901 154 2HG2 ILE 22 2HG2 ILE 22 -15.030 2.187 2.197 155 3HG2 ILE 22 3HG2 ILE 22 -14.782 2.661 3.895 156 1HD1 ILE 22 1HD1 ILE 22 -13.110 2.157 -0.026 157 2HD1 ILE 22 2HD1 ILE 22 -11.833 3.394 0.055 158 3HD1 ILE 22 3HD1 ILE 22 -12.275 2.474 1.513 159 H SER 23 H SER 23 -12.849 5.227 5.029 160 HA SER 23 HA SER 23 -14.750 4.588 6.880 161 2HB SER 23 2HB SER 23 -12.221 4.469 7.118 162 HG SER 23 HG SER 23 -11.875 6.802 8.432 163 H GLN 24 H GLN 24 -13.541 7.805 5.788 164 HA GLN 24 HA GLN 24 -14.788 9.315 7.722 165 2HB GLN 24 2HB GLN 24 -14.810 10.870 5.367 166 2HG GLN 24 2HG GLN 24 -12.382 10.454 7.156 167 1HE2 GLN 24 1HE2 GLN 24 -11.658 11.214 4.907 168 2HE2 GLN 24 2HE2 GLN 24 -11.563 12.926 4.662 169 H THR 25 H THR 25 -15.957 8.137 4.513 170 HA THR 25 HA THR 25 -18.303 9.494 4.281 171 HB THR 25 HB THR 25 -17.836 6.517 3.724 172 HG1 THR 25 1HG THR 25 -17.182 9.054 2.403 173 1HG2 THR 25 1HG2 THR 25 -19.139 8.147 1.664 174 2HG2 THR 25 2HG2 THR 25 -19.704 6.632 2.409 175 3HG2 THR 25 3HG2 THR 25 -20.068 8.193 3.182 176 H LEU 26 H LEU 26 -17.726 6.538 6.279 177 HA LEU 26 HA LEU 26 -20.359 7.026 7.472 178 2HB LEU 26 2HB LEU 26 -20.614 4.886 6.949 179 HG LEU 26 HG LEU 26 -17.613 4.663 6.759 180 1HD1 LEU 26 1HD1 LEU 26 -18.448 2.660 7.942 181 2HD1 LEU 26 2HD1 LEU 26 -19.560 2.347 6.587 182 3HD1 LEU 26 3HD1 LEU 26 -17.800 2.290 6.326 183 1HD2 LEU 26 1HD2 LEU 26 -17.894 4.662 4.531 184 2HD2 LEU 26 2HD2 LEU 26 -19.367 3.665 4.608 185 3HD2 LEU 26 3HD2 LEU 26 -19.461 5.417 4.911 186 H ASN 27 H ASN 27 -17.799 8.535 7.989 187 HA ASN 27 HA ASN 27 -16.448 9.082 9.633 188 2HB ASN 27 2HB ASN 27 -18.640 8.716 11.663 189 1HD2 ASN 27 1HD2 ASN 27 -16.905 9.313 13.011 190 2HD2 ASN 27 2HD2 ASN 27 -16.334 10.945 13.107 191 H THR 28 H THR 28 -16.453 6.183 9.144 192 HA THR 28 HA THR 28 -16.493 4.934 11.762 193 HB THR 28 HB THR 28 -16.981 4.132 9.098 194 HG1 THR 28 1HG THR 28 -17.885 3.149 10.986 195 1HG2 THR 28 1HG2 THR 28 -15.400 2.170 8.907 196 2HG2 THR 28 2HG2 THR 28 -14.573 3.730 8.681 197 3HG2 THR 28 3HG2 THR 28 -14.430 2.863 10.229 198 HA PRO 29 HA PRO 29 -12.280 5.157 12.537 199 2HB PRO 29 2HB PRO 29 -12.501 4.134 14.589 200 2HG PRO 29 2HG PRO 29 -14.343 2.761 14.786 201 2HD PRO 29 2HD PRO 29 -15.710 3.678 13.182 202 H GLN 30 H GLN 30 -10.335 5.061 11.543 203 HA GLN 30 HA GLN 30 -10.162 3.988 9.111 204 2HB GLN 30 2HB GLN 30 -7.608 3.733 10.571 205 2HG GLN 30 2HG GLN 30 -7.143 5.735 8.952 206 1HE2 GLN 30 1HE2 GLN 30 -8.827 4.065 6.661 207 2HE2 GLN 30 2HE2 GLN 30 -7.690 2.826 6.247 208 HA PRO 31 HA PRO 31 -8.543 -0.086 10.927 209 2HB PRO 31 2HB PRO 31 -7.231 0.058 12.813 210 2HG PRO 31 2HG PRO 31 -7.518 1.989 14.042 211 2HD PRO 31 2HD PRO 31 -8.319 3.396 12.409 212 H MET 32 H MET 32 -10.926 0.375 9.887 213 HA MET 32 HA MET 32 -12.439 -1.685 11.240 214 2HB MET 32 2HB MET 32 -13.775 0.888 10.265 215 2HG MET 32 2HG MET 32 -14.915 -1.496 10.933 216 1HE MET 32 1HE MET 32 -16.741 -0.597 14.625 217 2HE MET 32 2HE MET 32 -17.035 -0.002 12.973 218 3HE MET 32 3HE MET 32 -17.033 -1.751 13.302 219 H ILE 33 H ILE 33 -12.097 0.539 8.413 220 HA ILE 33 HA ILE 33 -13.686 -1.162 6.745 221 HB ILE 33 HB ILE 33 -11.967 1.253 6.174 222 2HG1 ILE 33 2HG1 ILE 33 -13.981 2.513 6.151 223 1HG2 ILE 33 1HG2 ILE 33 -12.899 -0.683 4.347 224 2HG2 ILE 33 2HG2 ILE 33 -13.965 0.732 4.171 225 3HG2 ILE 33 3HG2 ILE 33 -12.204 0.918 3.996 226 1HD1 ILE 33 1HD1 ILE 33 -15.208 -0.085 5.675 227 2HD1 ILE 33 2HD1 ILE 33 -15.989 0.724 7.054 228 3HD1 ILE 33 3HD1 ILE 33 -15.908 1.539 5.473 229 H ASN 34 H ASN 34 -10.231 -0.646 7.491 230 HA ASN 34 HA ASN 34 -9.146 -1.928 5.343 231 2HB ASN 34 2HB ASN 34 -7.291 -2.564 7.100 232 1HD2 ASN 34 1HD2 ASN 34 -7.829 0.313 8.573 233 2HD2 ASN 34 2HD2 ASN 34 -7.106 1.415 7.450 234 H ALA 35 H ALA 35 -10.563 -3.174 8.411 235 HA ALA 35 HA ALA 35 -9.702 -5.819 8.195 236 1HB ALA 35 1HB ALA 35 -12.365 -5.062 9.388 237 2HB ALA 35 2HB ALA 35 -11.137 -6.199 9.992 238 3HB ALA 35 3HB ALA 35 -10.866 -4.444 10.121 239 H MET 36 H MET 36 -12.597 -4.088 6.909 240 HA MET 36 HA MET 36 -13.713 -6.455 5.854 241 2HB MET 36 2HB MET 36 -15.330 -4.890 4.821 242 2HG MET 36 2HG MET 36 -14.365 -4.312 7.619 243 1HE MET 36 1HE MET 36 -18.095 -2.206 6.210 244 2HE MET 36 2HE MET 36 -17.691 -3.940 6.256 245 3HE MET 36 3HE MET 36 -18.026 -3.064 7.769 246 H LEU 37 H LEU 37 -11.689 -3.771 4.558 247 HA LEU 37 HA LEU 37 -11.866 -4.504 1.870 248 2HB LEU 37 2HB LEU 37 -9.668 -3.222 1.738 249 HG LEU 37 HG LEU 37 -12.159 -1.995 2.909 250 1HD1 LEU 37 1HD1 LEU 37 -10.744 -0.451 3.813 251 2HD1 LEU 37 2HD1 LEU 37 -9.464 -0.747 2.611 252 3HD1 LEU 37 3HD1 LEU 37 -10.895 0.216 2.170 253 1HD2 LEU 37 1HD2 LEU 37 -11.486 -0.831 0.453 254 2HD2 LEU 37 2HD2 LEU 37 -11.148 -2.567 0.259 255 3HD2 LEU 37 3HD2 LEU 37 -12.764 -2.026 0.773 256 H GLN 38 H GLN 38 -9.913 -5.717 4.593 257 HA GLN 38 HA GLN 38 -8.098 -7.113 2.974 258 2HB GLN 38 2HB GLN 38 -8.545 -8.277 5.638 259 2HG GLN 38 2HG GLN 38 -6.189 -6.551 4.901 260 1HE2 GLN 38 1HE2 GLN 38 -4.978 -9.409 4.724 261 2HE2 GLN 38 2HE2 GLN 38 -4.721 -9.861 6.376 262 H GLN 39 H GLN 39 -11.167 -7.996 4.665 263 HA GLN 39 HA GLN 39 -11.044 -10.697 4.083 264 2HB GLN 39 2HB GLN 39 -13.757 -9.484 4.142 265 2HG GLN 39 2HG GLN 39 -12.197 -11.594 5.676 266 1HE2 GLN 39 1HE2 GLN 39 -13.768 -12.978 6.967 267 2HE2 GLN 39 2HE2 GLN 39 -14.820 -12.158 8.071 268 H LEU 40 H LEU 40 -12.543 -7.924 2.305 269 HA LEU 40 HA LEU 40 -13.719 -9.440 0.289 270 2HB LEU 40 2HB LEU 40 -13.831 -7.356 -0.939 271 HG LEU 40 HG LEU 40 -14.410 -7.232 1.997 272 1HD1 LEU 40 1HD1 LEU 40 -14.545 -5.019 2.165 273 2HD1 LEU 40 2HD1 LEU 40 -13.619 -4.930 0.647 274 3HD1 LEU 40 3HD1 LEU 40 -15.399 -4.877 0.610 275 1HD2 LEU 40 1HD2 LEU 40 -16.383 -6.597 -0.147 276 2HD2 LEU 40 2HD2 LEU 40 -15.819 -8.279 0.004 277 3HD2 LEU 40 3HD2 LEU 40 -16.593 -7.472 1.389 278 H GLU 41 H GLU 41 -10.417 -8.028 0.616 279 HA GLU 41 HA GLU 41 -9.568 -8.608 -1.929 280 2HB GLU 41 2HB GLU 41 -7.982 -8.542 0.675 281 2HG GLU 41 2HG GLU 41 -6.609 -7.660 -1.756 282 HE2 GLU 41 HE GLU 41 -5.199 -10.177 -1.652 283 H SER 42 H SER 42 -9.294 -10.580 1.108 284 HA SER 42 HA SER 42 -7.932 -12.680 0.039 285 2HB SER 42 2HB SER 42 -10.142 -13.141 2.052 286 HG SER 42 HG SER 42 -7.801 -13.987 2.952 287 H MET 43 H MET 43 -11.518 -12.161 0.260 288 HA MET 43 HA MET 43 -12.197 -14.570 -0.930 289 2HB MET 43 2HB MET 43 -14.376 -13.171 -1.468 290 2HG MET 43 2HG MET 43 -13.802 -12.821 1.436 291 1HE MET 43 1HE MET 43 -15.601 -13.187 2.918 292 2HE MET 43 2HE MET 43 -17.170 -13.961 2.587 293 3HE MET 43 3HE MET 43 -15.700 -14.954 2.730 294 H GLY 44 H GLY 44 -11.921 -11.230 -2.338 295 1HA GLY 44 1HA GLY 44 -10.764 -11.083 -4.478 296 2HA GLY 44 2HA GLY 44 -11.646 -12.506 -4.994 297 H LYS 45 H LYS 45 -12.787 -9.597 -3.148 298 HA LYS 45 HA LYS 45 -14.853 -9.282 -5.196 299 2HB LYS 45 2HB LYS 45 -16.236 -8.400 -3.566 300 2HG LYS 45 2HG LYS 45 -15.895 -9.777 -1.465 301 2HD LYS 45 2HD LYS 45 -15.265 -11.614 -3.765 302 2HE LYS 45 2HE LYS 45 -16.217 -12.130 -1.312 303 1HZ LYS 45 1HZ LYS 45 -18.651 -12.228 -1.432 304 2HZ LYS 45 2HZ LYS 45 -18.158 -10.681 -1.561 305 H ALA 46 H ALA 46 -12.901 -7.129 -3.007 306 HA ALA 46 HA ALA 46 -12.963 -5.107 -5.090 307 1HB ALA 46 1HB ALA 46 -11.643 -4.898 -2.372 308 2HB ALA 46 2HB ALA 46 -12.328 -3.603 -3.384 309 3HB ALA 46 3HB ALA 46 -13.408 -4.754 -2.560 310 H VAL 47 H VAL 47 -10.706 -3.810 -5.182 311 HA VAL 47 HA VAL 47 -8.535 -5.767 -5.315 312 HB VAL 47 HB VAL 47 -7.890 -4.774 -7.511 313 1HG1 VAL 47 1HG1 VAL 47 -10.626 -5.995 -7.797 314 2HG1 VAL 47 2HG1 VAL 47 -9.145 -6.297 -8.737 315 3HG1 VAL 47 3HG1 VAL 47 -9.295 -6.937 -7.083 316 1HG2 VAL 47 1HG2 VAL 47 -9.074 -3.177 -8.576 317 2HG2 VAL 47 2HG2 VAL 47 -10.641 -3.867 -8.086 318 3HG2 VAL 47 3HG2 VAL 47 -9.733 -2.830 -6.959 319 H ARG 48 H ARG 48 -6.380 -4.747 -5.299 320 HA ARG 48 HA ARG 48 -6.498 -2.393 -3.672 321 2HB ARG 48 2HB ARG 48 -4.044 -3.978 -4.576 322 2HG ARG 48 2HG ARG 48 -4.272 -1.565 -3.130 323 2HD ARG 48 2HD ARG 48 -4.712 -3.746 -1.317 324 HE ARG 48 HE ARG 48 -2.185 -2.486 -0.464 325 1HH1 ARG 48 2HH2 ARG 48 -3.715 -5.353 -1.874 326 2HH1 ARG 48 1HH2 ARG 48 -2.394 -6.403 -1.484 327 2HH2 ARG 48 1HH ARG 48 -0.480 -5.509 -0.351 328 H ILE 49 H ILE 49 -5.797 -0.326 -4.303 329 HA ILE 49 HA ILE 49 -4.896 -0.122 -7.091 330 HB ILE 49 HB ILE 49 -6.564 1.709 -5.377 331 2HG1 ILE 49 2HG1 ILE 49 -8.150 1.474 -7.299 332 1HG2 ILE 49 1HG2 ILE 49 -4.820 2.994 -6.610 333 2HG2 ILE 49 2HG2 ILE 49 -5.469 2.334 -8.130 334 3HG2 ILE 49 3HG2 ILE 49 -6.488 3.372 -7.104 335 1HD1 ILE 49 1HD1 ILE 49 -6.672 -1.020 -8.101 336 2HD1 ILE 49 2HD1 ILE 49 -7.780 -0.004 -9.052 337 3HD1 ILE 49 3HD1 ILE 49 -6.106 0.531 -8.767 338 H GLN 50 H GLN 50 -3.224 1.438 -7.585 339 HA GLN 50 HA GLN 50 -1.610 2.006 -5.221 340 2HB GLN 50 2HB GLN 50 -0.805 1.270 -8.059 341 2HG GLN 50 2HG GLN 50 0.788 2.606 -5.848 342 1HE2 GLN 50 1HE2 GLN 50 2.391 2.397 -8.719 343 2HE2 GLN 50 2HE2 GLN 50 3.476 1.086 -8.402 344 H GLU 51 H GLU 51 -0.370 4.042 -5.234 345 HA GLU 51 HA GLU 51 -1.737 6.021 -6.873 346 2HB GLU 51 2HB GLU 51 -0.393 7.460 -4.933 347 2HG GLU 51 2HG GLU 51 -3.032 6.341 -4.094 348 HE2 GLU 51 HE GLU 51 -2.338 8.443 -2.228 349 H GLU 52 H GLU 52 -0.235 8.076 -7.267 350 HA GLU 52 HA GLU 52 1.643 7.427 -9.046 351 2HB GLU 52 2HB GLU 52 2.686 9.782 -8.160 352 2HG GLU 52 2HG GLU 52 0.066 10.355 -9.276 353 HE2 GLU 52 HE GLU 52 2.741 12.414 -10.270 354 HA PRO 53 HA PRO 53 4.811 5.766 -6.492 355 2HB PRO 53 2HB PRO 53 5.013 3.874 -7.789 356 2HG PRO 53 2HG PRO 53 4.023 4.020 -9.867 357 2HD PRO 53 2HD PRO 53 2.452 5.647 -9.455 358 H ASP 54 H ASP 54 7.501 5.624 -7.189 359 HA ASP 54 HA ASP 54 8.020 8.485 -7.161 360 2HB ASP 54 2HB ASP 54 10.230 7.824 -6.161 361 HD2 ASP 54 HD ASP 54 9.726 8.079 -3.377 362 H GLY 55 H GLY 55 10.159 9.133 -8.296 363 1HA GLY 55 1HA GLY 55 11.296 7.331 -10.212 364 2HA GLY 55 2HA GLY 55 10.203 8.484 -10.952 365 H CYS 56 H CYS 56 13.406 7.948 -10.061 366 HA CYS 56 HA CYS 56 13.981 10.766 -10.418 367 2HB CYS 56 2HB CYS 56 15.828 10.115 -8.470 368 HG CYS 56 HG CYS 56 13.357 11.263 -6.994 369 H LEU 57 H LEU 57 16.185 11.078 -11.256 370 HA LEU 57 HA LEU 57 17.011 8.966 -12.919 371 2HB LEU 57 2HB LEU 57 19.052 10.571 -13.158 372 HG LEU 57 HG LEU 57 17.886 12.099 -14.615 373 1HD1 LEU 57 1HD1 LEU 57 18.047 9.453 -15.013 374 2HD1 LEU 57 2HD1 LEU 57 16.280 9.648 -15.109 375 3HD1 LEU 57 3HD1 LEU 57 17.340 10.575 -16.198 376 1HD2 LEU 57 1HD2 LEU 57 15.498 12.313 -14.732 377 2HD2 LEU 57 2HD2 LEU 57 15.273 11.046 -13.502 378 3HD2 LEU 57 3HD2 LEU 57 16.011 12.601 -13.053 379 H SER 58 H SER 58 18.340 7.264 -12.556 380 HA SER 58 HA SER 58 19.436 7.036 -9.927 381 2HB SER 58 2HB SER 58 20.282 4.877 -11.622 382 HG SER 58 HG SER 58 18.469 5.296 -9.471 383 H GLY 59 H GLY 59 21.802 5.955 -9.867 384 1HA GLY 59 1HA GLY 59 23.697 6.455 -11.820 385 2HA GLY 59 2HA GLY 59 23.596 7.920 -10.864 386 H SER 60 H SER 60 25.841 5.973 -11.070 387 HA SER 60 HA SER 60 27.152 4.710 -9.842 388 2HB SER 60 2HB SER 60 27.745 5.752 -7.612 389 HG SER 60 HG SER 60 27.307 7.806 -9.593 390 H CYS 61 H CYS 61 25.729 2.793 -9.847 391 HA CYS 61 HA CYS 61 25.114 1.990 -7.175 392 2HB CYS 61 2HB CYS 61 22.748 1.590 -8.916 393 HG CYS 61 HG CYS 61 21.771 2.850 -6.420 394 H LYS 62 H LYS 62 24.836 -0.375 -7.092 395 HA LYS 62 HA LYS 62 25.697 -1.649 -9.595 396 2HB LYS 62 2HB LYS 62 26.180 -2.828 -6.870 397 2HG LYS 62 2HG LYS 62 28.373 -3.214 -8.545 398 2HD LYS 62 2HD LYS 62 26.260 -4.779 -7.356 399 2HE LYS 62 2HE LYS 62 26.632 -5.151 -10.292 400 1HZ LYS 62 1HZ LYS 62 26.103 -7.682 -9.300 401 2HZ LYS 62 2HZ LYS 62 27.437 -7.227 -10.115 402 H SER 63 H SER 63 24.041 -2.509 -6.470 403 HA SER 63 HA SER 63 21.641 -3.114 -7.656 404 2HB SER 63 2HB SER 63 23.432 -5.554 -7.270 405 HG SER 63 HG SER 63 20.663 -5.403 -8.111 406 H CYS 64 H CYS 64 20.665 -2.304 -5.797 407 HA CYS 64 HA CYS 64 21.322 -3.725 -3.319 408 2HB CYS 64 2HB CYS 64 22.060 -1.312 -3.374 409 HG CYS 64 HG CYS 64 20.069 -0.502 -4.984 410 HA PRO 65 HA PRO 65 17.075 -4.706 -3.345 411 2HB PRO 65 2HB PRO 65 17.394 -6.465 -1.893 412 2HG PRO 65 2HG PRO 65 19.311 -6.325 -0.619 413 2HD PRO 65 2HD PRO 65 20.592 -4.962 -1.955 414 H GLU 66 H GLU 66 15.114 -4.428 -1.391 415 HA GLU 66 HA GLU 66 15.046 -1.514 -1.253 416 2HB GLU 66 2HB GLU 66 13.476 -2.483 -2.965 417 2HG GLU 66 2HG GLU 66 11.352 -3.379 -1.363 418 HE2 GLU 66 HE GLU 66 11.732 -6.467 -2.490 419 H GLY 67 H GLY 67 12.342 -1.817 0.167 420 1HA GLY 67 1HA GLY 67 11.763 -2.988 2.262 421 2HA GLY 67 2HA GLY 67 13.413 -2.705 2.781 422 H LYS 68 H LYS 68 10.728 -0.743 1.288 423 HA LYS 68 HA LYS 68 11.078 1.157 3.485 424 2HB LYS 68 2HB LYS 68 12.357 1.925 1.472 425 2HG LYS 68 2HG LYS 68 9.708 2.610 0.202 426 2HD LYS 68 2HD LYS 68 11.166 2.359 -1.871 427 2HE LYS 68 2HE LYS 68 12.595 4.258 -0.014 428 1HZ LYS 68 1HZ LYS 68 11.316 5.266 -2.357 429 2HZ LYS 68 2HZ LYS 68 12.896 5.311 -1.966 430 H ALA 69 H ALA 69 9.121 2.880 3.211 431 HA ALA 69 HA ALA 69 6.793 1.297 3.544 432 1HB ALA 69 1HB ALA 69 7.678 4.072 3.933 433 2HB ALA 69 2HB ALA 69 5.992 3.957 3.371 434 3HB ALA 69 3HB ALA 69 6.496 3.113 4.854 435 H CYS 70 H CYS 70 5.020 1.003 2.184 436 HA CYS 70 HA CYS 70 5.564 1.514 -0.591 437 2HB CYS 70 2HB CYS 70 3.410 0.230 -0.923 438 HG CYS 70 HG CYS 70 6.287 -0.496 -0.066 439 H LEU 71 H LEU 71 4.115 2.765 -1.979 440 HA LEU 71 HA LEU 71 3.295 5.171 -0.892 441 2HB LEU 71 2HB LEU 71 1.911 5.168 -3.145 442 HG LEU 71 HG LEU 71 3.876 5.723 -4.464 443 1HD1 LEU 71 1HD1 LEU 71 2.922 7.242 -2.593 444 2HD1 LEU 71 2HD1 LEU 71 4.438 6.865 -1.739 445 3HD1 LEU 71 3HD1 LEU 71 4.488 7.655 -3.333 446 1HD2 LEU 71 1HD2 LEU 71 6.063 5.241 -3.930 447 2HD2 LEU 71 2HD2 LEU 71 5.720 5.063 -2.194 448 3HD2 LEU 71 3HD2 LEU 71 5.227 3.787 -3.334 449 H ARG 72 H ARG 72 1.035 6.085 -0.863 450 HA ARG 72 HA ARG 72 -0.504 4.555 0.840 451 2HB ARG 72 2HB ARG 72 -2.263 6.459 -0.236 452 2HG ARG 72 2HG ARG 72 -0.555 7.773 1.668 453 2HD ARG 72 2HD ARG 72 -3.256 6.394 1.711 454 HE ARG 72 HE ARG 72 -1.647 7.059 4.079 455 1HH1 ARG 72 2HH2 ARG 72 -4.929 6.671 2.803 456 2HH1 ARG 72 1HH2 ARG 72 -5.637 6.409 4.362 457 2HH2 ARG 72 1HH ARG 72 -4.237 6.438 6.307 458 H GLU 73 H GLU 73 -1.007 2.503 -0.128 459 HA GLU 73 HA GLU 73 -2.012 2.247 -2.692 460 2HB GLU 73 2HB GLU 73 -2.709 -0.035 -1.934 461 2HG GLU 73 2HG GLU 73 0.000 1.121 -1.298 462 HE2 GLU 73 HE GLU 73 -0.365 -1.300 1.318 463 H TRP 74 H TRP 74 -4.076 2.350 -3.574 464 HA TRP 74 HA TRP 74 -6.145 3.329 -1.757 465 2HB TRP 74 2HB TRP 74 -7.271 3.755 -4.077 466 HD1 TRP 74 HD TRP 74 -5.555 5.208 -1.334 467 HE1 TRP 74 1HE TRP 74 -5.133 7.809 -1.479 468 HE3 TRP 74 3HE TRP 74 -6.347 5.589 -6.343 469 HZ2 TRP 74 2HZ TRP 74 -5.177 9.692 -3.624 470 HZ3 TRP 74 3HZ TRP 74 -6.137 7.844 -7.384 471 HH2 TRP 74 HH TRP 74 -5.575 9.852 -6.109 472 H TRP 75 H TRP 75 -8.467 2.518 -2.489 473 HA TRP 75 HA TRP 75 -8.268 -0.357 -3.073 474 2HB TRP 75 2HB TRP 75 -10.202 -0.655 -1.534 475 HD1 TRP 75 HD TRP 75 -7.950 1.569 0.627 476 HE1 TRP 75 1HE TRP 75 -6.306 0.135 2.111 477 HE3 TRP 75 3HE TRP 75 -8.994 -2.887 -1.591 478 HZ2 TRP 75 2HZ TRP 75 -5.641 -2.640 2.190 479 HZ3 TRP 75 3HZ TRP 75 -7.803 -4.909 -0.750 480 HH2 TRP 75 HH TRP 75 -6.177 -4.837 1.073 481 H ALA 76 H ALA 76 -9.997 -1.194 -4.384 482 HA ALA 76 HA ALA 76 -12.078 0.598 -5.232 483 1HB ALA 76 1HB ALA 76 -11.456 0.678 -7.559 484 2HB ALA 76 2HB ALA 76 -10.054 1.237 -6.615 485 3HB ALA 76 3HB ALA 76 -10.074 -0.412 -7.286 486 H LEU 77 H LEU 77 -13.344 -0.654 -7.133 487 HA LEU 77 HA LEU 77 -13.701 -3.337 -6.066 488 2HB LEU 77 2HB LEU 77 -15.840 -3.293 -7.097 489 HG LEU 77 HG LEU 77 -15.274 -0.554 -5.932 490 1HD1 LEU 77 1HD1 LEU 77 -17.559 -1.426 -7.380 491 2HD1 LEU 77 2HD1 LEU 77 -18.015 -1.316 -5.663 492 3HD1 LEU 77 3HD1 LEU 77 -17.317 0.098 -6.491 493 1HD2 LEU 77 1HD2 LEU 77 -16.603 -1.642 -3.989 494 2HD2 LEU 77 2HD2 LEU 77 -16.153 -3.182 -4.762 495 3HD2 LEU 77 3HD2 LEU 77 -14.886 -2.059 -4.211 496 H ARG 78 H ARG 78 -13.968 -5.184 -7.557 497 HA ARG 78 HA ARG 78 -11.830 -5.320 -9.291 498 2HB ARG 78 2HB ARG 78 -14.334 -7.056 -9.040 499 2HG ARG 78 2HG ARG 78 -13.076 -7.260 -11.285 500 2HD ARG 78 2HD ARG 78 -10.967 -8.479 -9.435 501 HE ARG 78 HE ARG 78 -10.696 -9.676 -11.454 502 1HH1 ARG 78 2HH2 ARG 78 -11.022 -6.214 -12.136 503 2HH1 ARG 78 1HH2 ARG 78 -10.543 -6.369 -13.793 504 2HH2 ARG 78 1HH ARG 78 -9.984 -8.535 -14.656 Start of MODEL 8 1 1H MET 1 H MET 1 -27.265 2.371 11.100 2 HA MET 1 HA MET 1 -25.055 3.411 10.955 3 2HB MET 1 2HB MET 1 -23.870 1.355 12.081 4 2HG MET 1 2HG MET 1 -26.642 2.137 13.107 5 1HE MET 1 1HE MET 1 -22.786 0.663 14.716 6 2HE MET 1 2HE MET 1 -23.142 2.276 14.050 7 3HE MET 1 3HE MET 1 -23.257 1.991 15.803 8 H ALA 2 H ALA 2 -22.625 2.367 10.681 9 HA ALA 2 HA ALA 2 -22.042 2.426 8.035 10 1HB ALA 2 1HB ALA 2 -20.688 1.194 10.439 11 2HB ALA 2 2HB ALA 2 -19.956 1.059 8.823 12 3HB ALA 2 3HB ALA 2 -20.253 2.663 9.532 13 H SER 3 H SER 3 -20.973 0.519 6.742 14 HA SER 3 HA SER 3 -21.807 -2.067 7.207 15 2HB SER 3 2HB SER 3 -24.058 -1.680 6.750 16 HG SER 3 HG SER 3 -23.466 0.642 5.993 17 H LEU 4 H LEU 4 -21.440 -3.469 5.146 18 HA LEU 4 HA LEU 4 -19.053 -2.535 3.912 19 2HB LEU 4 2HB LEU 4 -19.950 -4.846 2.604 20 HG LEU 4 HG LEU 4 -18.059 -4.426 4.917 21 1HD1 LEU 4 1HD1 LEU 4 -17.955 -7.060 3.611 22 2HD1 LEU 4 2HD1 LEU 4 -17.779 -6.611 5.325 23 3HD1 LEU 4 3HD1 LEU 4 -19.401 -6.786 4.612 24 1HD2 LEU 4 1HD2 LEU 4 -17.555 -5.314 2.065 25 2HD2 LEU 4 2HD2 LEU 4 -17.406 -3.641 2.654 26 3HD2 LEU 4 3HD2 LEU 4 -16.340 -4.911 3.302 27 H ILE 5 H ILE 5 -22.499 -2.855 2.994 28 HA ILE 5 HA ILE 5 -22.196 -2.484 0.261 29 HB ILE 5 HB ILE 5 -24.496 -1.495 1.938 30 2HG1 ILE 5 2HG1 ILE 5 -23.495 -4.241 1.542 31 1HG2 ILE 5 1HG2 ILE 5 -25.753 -2.344 -0.128 32 2HG2 ILE 5 2HG2 ILE 5 -24.827 -0.832 -0.282 33 3HG2 ILE 5 3HG2 ILE 5 -24.166 -2.351 -0.934 34 1HD1 ILE 5 1HD1 ILE 5 -24.623 -2.579 3.593 35 2HD1 ILE 5 2HD1 ILE 5 -25.724 -3.956 3.348 36 3HD1 ILE 5 3HD1 ILE 5 -24.012 -4.244 3.743 37 H GLN 6 H GLN 6 -21.993 -0.229 2.991 38 HA GLN 6 HA GLN 6 -22.395 2.099 1.533 39 2HB GLN 6 2HB GLN 6 -20.781 2.954 3.542 40 2HG GLN 6 2HG GLN 6 -23.442 1.902 4.445 41 1HE2 GLN 6 1HE2 GLN 6 -21.854 4.906 3.368 42 2HE2 GLN 6 2HE2 GLN 6 -21.989 5.773 4.861 43 H VAL 7 H VAL 7 -19.337 0.408 2.535 44 HA VAL 7 HA VAL 7 -17.676 2.203 1.125 45 HB VAL 7 HB VAL 7 -16.872 0.967 3.013 46 1HG1 VAL 7 1HG1 VAL 7 -18.131 -1.016 3.077 47 2HG1 VAL 7 2HG1 VAL 7 -17.681 -1.465 1.414 48 3HG1 VAL 7 3HG1 VAL 7 -16.476 -1.562 2.720 49 1HG2 VAL 7 1HG2 VAL 7 -14.885 1.166 2.015 50 2HG2 VAL 7 2HG2 VAL 7 -15.084 -0.501 1.422 51 3HG2 VAL 7 3HG2 VAL 7 -15.596 0.871 0.410 52 H ARG 8 H ARG 8 -19.297 -0.900 0.347 53 HA ARG 8 HA ARG 8 -17.912 -1.403 -1.980 54 2HB ARG 8 2HB ARG 8 -20.224 -2.595 -2.577 55 2HG ARG 8 2HG ARG 8 -18.972 -3.499 0.030 56 2HD ARG 8 2HD ARG 8 -19.332 -5.185 -2.446 57 HE ARG 8 HE ARG 8 -18.585 -6.479 -0.592 58 1HH1 ARG 8 2HH2 ARG 8 -21.558 -4.723 0.206 59 2HH1 ARG 8 1HH2 ARG 8 -21.861 -5.641 1.643 60 2HH2 ARG 8 1HH ARG 8 -20.335 -7.380 2.270 61 H ASP 9 H ASP 9 -20.811 0.607 -1.275 62 HA ASP 9 HA ASP 9 -21.385 1.082 -3.991 63 2HB ASP 9 2HB ASP 9 -22.167 2.932 -1.713 64 HD2 ASP 9 HD ASP 9 -24.339 1.538 -4.627 65 H LEU 10 H LEU 10 -19.805 2.920 -1.282 66 HA LEU 10 HA LEU 10 -19.296 5.260 -2.681 67 2HB LEU 10 2HB LEU 10 -17.267 5.196 -0.924 68 HG LEU 10 HG LEU 10 -18.772 6.005 0.856 69 1HD1 LEU 10 1HD1 LEU 10 -17.989 7.592 -0.779 70 2HD1 LEU 10 2HD1 LEU 10 -19.288 7.135 -1.907 71 3HD1 LEU 10 3HD1 LEU 10 -19.685 7.956 -0.379 72 1HD2 LEU 10 1HD2 LEU 10 -20.868 4.848 -0.940 73 2HD2 LEU 10 2HD2 LEU 10 -20.726 4.808 0.834 74 3HD2 LEU 10 3HD2 LEU 10 -21.251 6.300 0.017 75 H LEU 11 H LEU 11 -17.353 2.232 -2.340 76 HA LEU 11 HA LEU 11 -15.099 3.100 -3.671 77 2HB LEU 11 2HB LEU 11 -15.207 0.482 -4.343 78 HG LEU 11 HG LEU 11 -14.597 1.611 -1.600 79 1HD1 LEU 11 1HD1 LEU 11 -15.184 -0.775 -1.436 80 2HD1 LEU 11 2HD1 LEU 11 -13.947 -1.154 -2.659 81 3HD1 LEU 11 3HD1 LEU 11 -13.464 -0.474 -1.086 82 1HD2 LEU 11 1HD2 LEU 11 -12.486 0.593 -3.431 83 2HD2 LEU 11 2HD2 LEU 11 -13.267 2.134 -3.861 84 3HD2 LEU 11 3HD2 LEU 11 -12.462 1.954 -2.284 85 H ALA 12 H ALA 12 -18.307 2.182 -4.886 86 HA ALA 12 HA ALA 12 -17.352 2.105 -7.616 87 1HB ALA 12 1HB ALA 12 -19.111 0.715 -7.749 88 2HB ALA 12 2HB ALA 12 -19.630 1.154 -6.105 89 3HB ALA 12 3HB ALA 12 -20.186 2.111 -7.499 90 H LEU 13 H LEU 13 -19.714 4.053 -5.651 91 HA LEU 13 HA LEU 13 -20.239 5.946 -7.581 92 2HB LEU 13 2HB LEU 13 -20.934 7.369 -5.705 93 HG LEU 13 HG LEU 13 -21.718 4.542 -4.990 94 1HD1 LEU 13 1HD1 LEU 13 -22.852 5.763 -3.474 95 2HD1 LEU 13 2HD1 LEU 13 -22.744 7.261 -4.431 96 3HD1 LEU 13 3HD1 LEU 13 -23.969 6.033 -4.833 97 1HD2 LEU 13 1HD2 LEU 13 -23.565 4.820 -6.681 98 2HD2 LEU 13 2HD2 LEU 13 -22.653 6.198 -7.342 99 3HD2 LEU 13 3HD2 LEU 13 -21.938 4.569 -7.356 100 H ARG 14 H ARG 14 -17.840 6.186 -4.857 101 HA ARG 14 HA ARG 14 -16.682 8.448 -6.135 102 2HB ARG 14 2HB ARG 14 -15.395 8.690 -4.149 103 2HG ARG 14 2HG ARG 14 -16.909 8.313 -2.296 104 2HD ARG 14 2HD ARG 14 -19.229 8.741 -3.505 105 HE ARG 14 HE ARG 14 -17.165 10.466 -2.810 106 1HH1 ARG 14 2HH2 ARG 14 -19.553 10.410 -5.426 107 2HH1 ARG 14 1HH2 ARG 14 -19.602 12.134 -5.586 108 2HH2 ARG 14 1HH ARG 14 -18.227 13.484 -4.161 109 H GLY 15 H GLY 15 -16.585 5.258 -6.894 110 1HA GLY 15 1HA GLY 15 -15.172 3.927 -8.025 111 2HA GLY 15 2HA GLY 15 -14.324 5.381 -8.510 112 H ARG 16 H ARG 16 -12.218 4.488 -8.342 113 HA ARG 16 HA ARG 16 -11.406 3.065 -6.094 114 2HB ARG 16 2HB ARG 16 -10.171 2.809 -8.162 115 2HG ARG 16 2HG ARG 16 -10.364 5.744 -8.200 116 2HD ARG 16 2HD ARG 16 -7.684 4.545 -8.092 117 HE ARG 16 HE ARG 16 -8.548 5.263 -10.724 118 1HH1 ARG 16 2HH2 ARG 16 -5.861 5.889 -8.501 119 2HH1 ARG 16 1HH2 ARG 16 -4.719 6.188 -9.769 120 2HH2 ARG 16 1HH ARG 16 -5.435 6.047 -12.052 121 H MET 17 H MET 17 -10.858 3.804 -4.062 122 HA MET 17 HA MET 17 -9.599 6.360 -3.818 123 2HB MET 17 2HB MET 17 -11.340 7.082 -2.057 124 2HG MET 17 2HG MET 17 -13.052 7.801 -3.733 125 1HE MET 17 1HE MET 17 -10.983 9.827 -6.531 126 2HE MET 17 2HE MET 17 -11.627 8.187 -6.780 127 3HE MET 17 3HE MET 17 -12.617 9.416 -5.957 128 H GLU 18 H GLU 18 -9.314 6.799 -1.245 129 HA GLU 18 HA GLU 18 -8.129 4.359 -0.308 130 2HB GLU 18 2HB GLU 18 -8.104 7.137 0.952 131 2HG GLU 18 2HG GLU 18 -7.429 5.159 2.411 132 HE2 GLU 18 HE GLU 18 -4.200 5.181 1.743 133 H ALA 19 H ALA 19 -8.487 3.524 1.908 134 HA ALA 19 HA ALA 19 -11.220 3.305 2.495 135 1HB ALA 19 1HB ALA 19 -8.793 2.668 4.222 136 2HB ALA 19 2HB ALA 19 -10.435 2.007 4.418 137 3HB ALA 19 3HB ALA 19 -9.475 1.594 2.978 138 H ALA 20 H ALA 20 -8.520 5.175 4.021 139 HA ALA 20 HA ALA 20 -9.760 6.183 6.194 140 1HB ALA 20 1HB ALA 20 -7.970 7.680 4.236 141 2HB ALA 20 2HB ALA 20 -8.251 8.119 5.938 142 3HB ALA 20 3HB ALA 20 -7.414 6.600 5.537 143 H GLN 21 H GLN 21 -10.235 7.125 2.763 144 HA GLN 21 HA GLN 21 -11.831 9.351 3.408 145 2HB GLN 21 2HB GLN 21 -12.547 8.859 0.858 146 2HG GLN 21 2HG GLN 21 -9.656 9.616 1.392 147 1HE2 GLN 21 1HE2 GLN 21 -10.321 8.659 -0.948 148 2HE2 GLN 21 2HE2 GLN 21 -10.616 9.884 -2.136 149 H ILE 22 H ILE 22 -12.553 5.989 2.241 150 HA ILE 22 HA ILE 22 -15.318 6.279 2.217 151 HB ILE 22 HB ILE 22 -13.548 3.863 2.576 152 2HG1 ILE 22 2HG1 ILE 22 -13.684 5.457 0.417 153 1HG2 ILE 22 1HG2 ILE 22 -15.434 2.854 3.274 154 2HG2 ILE 22 2HG2 ILE 22 -16.491 4.132 2.625 155 3HG2 ILE 22 3HG2 ILE 22 -15.850 2.872 1.543 156 1HD1 ILE 22 1HD1 ILE 22 -13.740 2.436 0.089 157 2HD1 ILE 22 2HD1 ILE 22 -12.791 3.630 -0.829 158 3HD1 ILE 22 3HD1 ILE 22 -12.367 3.265 0.861 159 H SER 23 H SER 23 -13.028 5.302 4.824 160 HA SER 23 HA SER 23 -14.925 4.545 6.655 161 2HB SER 23 2HB SER 23 -12.544 4.104 6.978 162 HG SER 23 HG SER 23 -12.130 6.862 7.671 163 H GLN 24 H GLN 24 -13.576 7.781 5.832 164 HA GLN 24 HA GLN 24 -14.755 9.122 7.966 165 2HB GLN 24 2HB GLN 24 -14.541 10.968 5.845 166 2HG GLN 24 2HG GLN 24 -12.012 10.877 7.042 167 1HE2 GLN 24 1HE2 GLN 24 -12.895 11.890 9.655 168 2HE2 GLN 24 2HE2 GLN 24 -13.629 13.435 9.379 169 H THR 25 H THR 25 -15.833 8.469 4.580 170 HA THR 25 HA THR 25 -18.068 10.022 4.450 171 HB THR 25 HB THR 25 -17.430 7.219 3.418 172 HG1 THR 25 1HG THR 25 -16.291 8.642 2.157 173 1HG2 THR 25 1HG2 THR 25 -19.205 7.772 1.670 174 2HG2 THR 25 2HG2 THR 25 -19.874 7.411 3.280 175 3HG2 THR 25 3HG2 THR 25 -19.747 9.098 2.726 176 H LEU 26 H LEU 26 -17.753 6.807 6.056 177 HA LEU 26 HA LEU 26 -20.465 7.194 7.080 178 2HB LEU 26 2HB LEU 26 -20.556 5.097 6.320 179 HG LEU 26 HG LEU 26 -17.565 4.984 6.592 180 1HD1 LEU 26 1HD1 LEU 26 -17.555 2.847 7.185 181 2HD1 LEU 26 2HD1 LEU 26 -19.334 2.785 7.158 182 3HD1 LEU 26 3HD1 LEU 26 -18.409 2.458 5.673 183 1HD2 LEU 26 1HD2 LEU 26 -17.796 4.137 4.233 184 2HD2 LEU 26 2HD2 LEU 26 -19.533 4.504 4.347 185 3HD2 LEU 26 3HD2 LEU 26 -18.336 5.812 4.501 186 H ASN 27 H ASN 27 -17.950 8.682 7.930 187 HA ASN 27 HA ASN 27 -16.806 9.165 9.736 188 2HB ASN 27 2HB ASN 27 -18.755 8.830 11.809 189 1HD2 ASN 27 1HD2 ASN 27 -19.753 10.948 12.352 190 2HD2 ASN 27 2HD2 ASN 27 -18.873 12.394 11.990 191 H THR 28 H THR 28 -16.821 6.253 9.036 192 HA THR 28 HA THR 28 -16.955 4.875 11.584 193 HB THR 28 HB THR 28 -17.377 4.209 8.881 194 HG1 THR 28 1HG THR 28 -17.930 2.278 9.978 195 1HG2 THR 28 1HG2 THR 28 -14.719 3.909 8.952 196 2HG2 THR 28 2HG2 THR 28 -15.123 2.452 9.891 197 3HG2 THR 28 3HG2 THR 28 -15.738 2.640 8.230 198 HA PRO 29 HA PRO 29 -12.772 5.022 12.514 199 2HB PRO 29 2HB PRO 29 -13.071 3.905 14.505 200 2HG PRO 29 2HG PRO 29 -14.931 2.543 14.575 201 2HD PRO 29 2HD PRO 29 -16.234 3.549 12.970 202 H GLN 30 H GLN 30 -10.769 4.921 11.620 203 HA GLN 30 HA GLN 30 -10.564 3.902 9.131 204 2HB GLN 30 2HB GLN 30 -7.998 3.737 10.535 205 2HG GLN 30 2HG GLN 30 -7.761 5.935 9.067 206 1HE2 GLN 30 1HE2 GLN 30 -9.168 4.215 6.654 207 2HE2 GLN 30 2HE2 GLN 30 -7.883 3.145 6.203 208 HA PRO 31 HA PRO 31 -8.818 -0.095 11.007 209 2HB PRO 31 2HB PRO 31 -7.609 0.103 12.956 210 2HG PRO 31 2HG PRO 31 -8.043 2.016 14.170 211 2HD PRO 31 2HD PRO 31 -8.825 3.389 12.500 212 H MET 32 H MET 32 -11.186 0.295 9.872 213 HA MET 32 HA MET 32 -12.641 -1.880 11.091 214 2HB MET 32 2HB MET 32 -14.345 0.397 10.141 215 2HG MET 32 2HG MET 32 -15.296 -1.645 11.219 216 1HE MET 32 1HE MET 32 -15.983 -2.948 13.235 217 2HE MET 32 2HE MET 32 -14.556 -3.781 12.573 218 3HE MET 32 3HE MET 32 -14.727 -3.569 14.332 219 H ILE 33 H ILE 33 -12.346 0.510 8.397 220 HA ILE 33 HA ILE 33 -13.807 -1.189 6.605 221 HB ILE 33 HB ILE 33 -12.245 1.362 6.194 222 2HG1 ILE 33 2HG1 ILE 33 -14.337 2.493 6.222 223 1HG2 ILE 33 1HG2 ILE 33 -13.449 -0.512 4.282 224 2HG2 ILE 33 2HG2 ILE 33 -14.001 1.170 4.098 225 3HG2 ILE 33 3HG2 ILE 33 -12.264 0.792 4.031 226 1HD1 ILE 33 1HD1 ILE 33 -16.453 1.483 6.193 227 2HD1 ILE 33 2HD1 ILE 33 -15.527 0.386 5.140 228 3HD1 ILE 33 3HD1 ILE 33 -15.836 -0.058 6.837 229 H ASN 34 H ASN 34 -10.408 -0.478 7.445 230 HA ASN 34 HA ASN 34 -9.225 -1.585 5.239 231 2HB ASN 34 2HB ASN 34 -7.318 -2.117 6.974 232 1HD2 ASN 34 1HD2 ASN 34 -7.499 0.491 8.628 233 2HD2 ASN 34 2HD2 ASN 34 -7.078 1.741 7.506 234 H ALA 35 H ALA 35 -10.368 -3.035 8.354 235 HA ALA 35 HA ALA 35 -9.355 -5.596 7.982 236 1HB ALA 35 1HB ALA 35 -10.377 -4.501 10.064 237 2HB ALA 35 2HB ALA 35 -11.964 -4.903 9.367 238 3HB ALA 35 3HB ALA 35 -10.814 -6.200 9.766 239 H MET 36 H MET 36 -12.510 -4.108 7.014 240 HA MET 36 HA MET 36 -13.590 -6.437 5.985 241 2HB MET 36 2HB MET 36 -15.223 -4.931 4.957 242 2HG MET 36 2HG MET 36 -14.697 -2.946 6.997 243 1HE MET 36 1HE MET 36 -15.480 -5.851 8.565 244 2HE MET 36 2HE MET 36 -17.112 -5.439 9.145 245 3HE MET 36 3HE MET 36 -16.907 -6.616 7.825 246 H LEU 37 H LEU 37 -11.754 -3.757 4.369 247 HA LEU 37 HA LEU 37 -11.923 -4.709 1.788 248 2HB LEU 37 2HB LEU 37 -9.683 -3.465 1.553 249 HG LEU 37 HG LEU 37 -12.204 -2.145 2.546 250 1HD1 LEU 37 1HD1 LEU 37 -9.997 -0.921 3.206 251 2HD1 LEU 37 2HD1 LEU 37 -9.924 -0.512 1.475 252 3HD1 LEU 37 3HD1 LEU 37 -11.327 -0.011 2.450 253 1HD2 LEU 37 1HD2 LEU 37 -11.501 -1.213 0.008 254 2HD2 LEU 37 2HD2 LEU 37 -11.121 -2.952 -0.020 255 3HD2 LEU 37 3HD2 LEU 37 -12.760 -2.405 0.411 256 H GLN 38 H GLN 38 -9.612 -5.540 4.429 257 HA GLN 38 HA GLN 38 -7.935 -7.089 2.899 258 2HB GLN 38 2HB GLN 38 -8.327 -8.132 5.622 259 2HG GLN 38 2HG GLN 38 -5.989 -6.416 4.937 260 1HE2 GLN 38 1HE2 GLN 38 -4.252 -7.086 6.034 261 2HE2 GLN 38 2HE2 GLN 38 -4.183 -8.476 7.065 262 H GLN 39 H GLN 39 -10.960 -7.944 4.682 263 HA GLN 39 HA GLN 39 -10.805 -10.665 4.230 264 2HB GLN 39 2HB GLN 39 -13.536 -9.493 4.253 265 2HG GLN 39 2HG GLN 39 -11.934 -11.468 5.930 266 1HE2 GLN 39 1HE2 GLN 39 -12.930 -12.444 7.664 267 2HE2 GLN 39 2HE2 GLN 39 -14.260 -11.742 8.524 268 H LEU 40 H LEU 40 -12.424 -8.026 2.346 269 HA LEU 40 HA LEU 40 -13.566 -9.663 0.417 270 2HB LEU 40 2HB LEU 40 -13.707 -7.631 -0.925 271 HG LEU 40 HG LEU 40 -14.211 -7.112 2.017 272 1HD1 LEU 40 1HD1 LEU 40 -14.139 -4.959 1.157 273 2HD1 LEU 40 2HD1 LEU 40 -14.800 -5.452 -0.420 274 3HD1 LEU 40 3HD1 LEU 40 -15.861 -5.384 1.007 275 1HD2 LEU 40 1HD2 LEU 40 -16.541 -7.442 0.321 276 2HD2 LEU 40 2HD2 LEU 40 -15.473 -8.865 0.254 277 3HD2 LEU 40 3HD2 LEU 40 -16.087 -8.286 1.821 278 H GLU 41 H GLU 41 -10.310 -8.113 0.599 279 HA GLU 41 HA GLU 41 -9.463 -8.775 -1.908 280 2HB GLU 41 2HB GLU 41 -7.869 -8.626 0.687 281 2HG GLU 41 2HG GLU 41 -6.503 -7.823 -1.778 282 HE2 GLU 41 HE GLU 41 -3.989 -8.154 -0.099 283 H SER 42 H SER 42 -9.202 -10.690 1.162 284 HA SER 42 HA SER 42 -7.796 -12.793 0.155 285 2HB SER 42 2HB SER 42 -10.038 -12.954 2.217 286 HG SER 42 HG SER 42 -8.928 -14.985 1.452 287 H MET 43 H MET 43 -11.385 -12.275 0.260 288 HA MET 43 HA MET 43 -12.009 -14.724 -0.904 289 2HB MET 43 2HB MET 43 -14.210 -13.394 -1.463 290 2HG MET 43 2HG MET 43 -13.684 -12.918 1.425 291 1HE MET 43 1HE MET 43 -16.530 -13.307 2.708 292 2HE MET 43 2HE MET 43 -15.462 -12.095 1.963 293 3HE MET 43 3HE MET 43 -17.107 -12.338 1.331 294 H GLY 44 H GLY 44 -11.653 -11.397 -2.305 295 1HA GLY 44 1HA GLY 44 -10.511 -11.225 -4.427 296 2HA GLY 44 2HA GLY 44 -11.343 -12.674 -4.955 297 H LYS 45 H LYS 45 -12.522 -9.709 -3.212 298 HA LYS 45 HA LYS 45 -14.609 -9.513 -5.253 299 2HB LYS 45 2HB LYS 45 -15.973 -8.514 -3.655 300 2HG LYS 45 2HG LYS 45 -15.675 -9.861 -1.531 301 2HD LYS 45 2HD LYS 45 -15.104 -11.671 -3.895 302 2HE LYS 45 2HE LYS 45 -15.851 -12.257 -1.349 303 1HZ LYS 45 1HZ LYS 45 -18.042 -11.956 -1.001 304 2HZ LYS 45 2HZ LYS 45 -18.084 -10.978 -2.303 305 H ALA 46 H ALA 46 -12.747 -7.188 -3.167 306 HA ALA 46 HA ALA 46 -12.782 -5.318 -5.387 307 1HB ALA 46 1HB ALA 46 -11.356 -4.369 -3.075 308 2HB ALA 46 2HB ALA 46 -12.931 -3.835 -3.709 309 3HB ALA 46 3HB ALA 46 -12.851 -5.169 -2.535 310 H VAL 47 H VAL 47 -10.523 -3.950 -5.393 311 HA VAL 47 HA VAL 47 -8.328 -5.882 -5.381 312 HB VAL 47 HB VAL 47 -7.598 -5.046 -7.572 313 1HG1 VAL 47 1HG1 VAL 47 -9.198 -7.069 -7.163 314 2HG1 VAL 47 2HG1 VAL 47 -10.416 -6.037 -7.948 315 3HG1 VAL 47 3HG1 VAL 47 -8.932 -6.482 -8.823 316 1HG2 VAL 47 1HG2 VAL 47 -9.573 -3.051 -7.117 317 2HG2 VAL 47 2HG2 VAL 47 -8.463 -3.213 -8.500 318 3HG2 VAL 47 3HG2 VAL 47 -10.072 -3.974 -8.555 319 H ARG 48 H ARG 48 -6.180 -4.815 -5.345 320 HA ARG 48 HA ARG 48 -6.387 -2.453 -3.744 321 2HB ARG 48 2HB ARG 48 -3.673 -2.943 -4.016 322 2HG ARG 48 2HG ARG 48 -4.261 -4.686 -2.012 323 2HD ARG 48 2HD ARG 48 -4.833 -2.365 -0.700 324 HE ARG 48 HE ARG 48 -2.075 -2.297 -1.429 325 1HH1 ARG 48 2HH2 ARG 48 -4.418 -4.557 -0.032 326 2HH1 ARG 48 1HH2 ARG 48 -3.224 -5.439 0.858 327 2HH2 ARG 48 1HH ARG 48 -0.925 -4.776 0.714 328 H ILE 49 H ILE 49 -5.559 -0.381 -4.313 329 HA ILE 49 HA ILE 49 -4.664 -0.158 -7.104 330 HB ILE 49 HB ILE 49 -6.500 1.579 -5.473 331 2HG1 ILE 49 2HG1 ILE 49 -8.135 1.052 -7.000 332 1HG2 ILE 49 1HG2 ILE 49 -6.414 3.252 -7.244 333 2HG2 ILE 49 2HG2 ILE 49 -4.813 3.037 -6.497 334 3HG2 ILE 49 3HG2 ILE 49 -5.156 2.317 -8.088 335 1HD1 ILE 49 1HD1 ILE 49 -5.859 0.457 -8.934 336 2HD1 ILE 49 2HD1 ILE 49 -7.546 -0.005 -9.266 337 3HD1 ILE 49 3HD1 ILE 49 -7.115 1.711 -9.075 338 H GLN 50 H GLN 50 -3.048 1.485 -7.549 339 HA GLN 50 HA GLN 50 -1.531 2.105 -5.135 340 2HB GLN 50 2HB GLN 50 -0.612 1.484 -7.969 341 2HG GLN 50 2HG GLN 50 0.825 2.835 -5.671 342 1HE2 GLN 50 1HE2 GLN 50 2.012 1.855 -8.824 343 2HE2 GLN 50 2HE2 GLN 50 3.323 0.858 -8.290 344 H GLU 51 H GLU 51 -0.416 4.201 -5.064 345 HA GLU 51 HA GLU 51 -1.888 6.151 -6.630 346 2HB GLU 51 2HB GLU 51 -0.371 7.529 -4.709 347 2HG GLU 51 2HG GLU 51 -3.046 6.616 -3.809 348 HE2 GLU 51 HE GLU 51 -2.246 10.481 -4.471 349 H GLU 52 H GLU 52 -0.462 8.282 -7.033 350 HA GLU 52 HA GLU 52 1.245 7.815 -8.994 351 2HB GLU 52 2HB GLU 52 2.387 10.059 -8.201 352 2HG GLU 52 2HG GLU 52 -0.506 10.609 -8.395 353 HE2 GLU 52 HE GLU 52 2.299 11.614 -11.075 354 HA PRO 53 HA PRO 53 4.583 5.849 -6.893 355 2HB PRO 53 2HB PRO 53 4.522 4.000 -8.264 356 2HG PRO 53 2HG PRO 53 3.283 4.270 -10.191 357 2HD PRO 53 2HD PRO 53 1.862 5.952 -9.530 358 H ASP 54 H ASP 54 7.151 5.608 -7.945 359 HA ASP 54 HA ASP 54 7.800 8.391 -8.453 360 2HB ASP 54 2HB ASP 54 9.900 7.292 -6.855 361 HD2 ASP 54 HD ASP 54 7.003 9.540 -5.875 362 H GLY 55 H GLY 55 7.642 5.685 -9.948 363 1HA GLY 55 1HA GLY 55 8.800 4.661 -11.582 364 2HA GLY 55 2HA GLY 55 9.983 5.949 -11.498 365 H CYS 56 H CYS 56 11.951 5.634 -10.429 366 HA CYS 56 HA CYS 56 13.530 4.619 -9.269 367 2HB CYS 56 2HB CYS 56 12.181 2.280 -8.192 368 HG CYS 56 HG CYS 56 12.629 4.786 -6.271 369 H LEU 57 H LEU 57 15.006 2.769 -9.624 370 HA LEU 57 HA LEU 57 14.306 1.362 -12.079 371 2HB LEU 57 2HB LEU 57 16.893 0.771 -11.683 372 HG LEU 57 HG LEU 57 17.569 2.659 -13.045 373 1HD1 LEU 57 1HD1 LEU 57 16.034 0.669 -13.882 374 2HD1 LEU 57 2HD1 LEU 57 14.902 2.001 -14.214 375 3HD1 LEU 57 3HD1 LEU 57 16.517 1.999 -14.961 376 1HD2 LEU 57 1HD2 LEU 57 15.704 4.119 -11.679 377 2HD2 LEU 57 2HD2 LEU 57 16.537 4.644 -13.162 378 3HD2 LEU 57 3HD2 LEU 57 14.918 3.912 -13.263 379 H SER 58 H SER 58 14.746 -0.959 -12.285 380 HA SER 58 HA SER 58 14.957 -2.332 -9.751 381 2HB SER 58 2HB SER 58 13.003 -3.822 -11.090 382 HG SER 58 HG SER 58 12.887 -1.894 -8.951 383 H GLY 59 H GLY 59 16.095 -4.291 -9.936 384 1HA GLY 59 1HA GLY 59 16.296 -6.109 -11.842 385 2HA GLY 59 2HA GLY 59 17.246 -4.826 -12.565 386 H SER 60 H SER 60 19.392 -4.656 -12.021 387 HA SER 60 HA SER 60 20.174 -5.896 -9.507 388 2HB SER 60 2HB SER 60 22.071 -6.108 -11.817 389 HG SER 60 HG SER 60 22.910 -7.512 -10.450 390 H CYS 61 H CYS 61 20.310 -3.754 -8.581 391 HA CYS 61 HA CYS 61 22.798 -2.543 -8.874 392 2HB CYS 61 2HB CYS 61 21.191 -0.329 -9.677 393 HG CYS 61 HG CYS 61 23.926 -1.003 -9.736 394 H LYS 62 H LYS 62 19.330 -1.520 -8.373 395 HA LYS 62 HA LYS 62 19.908 -0.031 -6.067 396 2HB LYS 62 2HB LYS 62 17.299 -0.429 -5.792 397 2HG LYS 62 2HG LYS 62 17.452 1.097 -8.194 398 2HD LYS 62 2HD LYS 62 16.350 1.549 -5.858 399 2HE LYS 62 2HE LYS 62 19.066 2.899 -5.480 400 1HZ LYS 62 1HZ LYS 62 18.031 4.066 -3.877 401 2HZ LYS 62 2HZ LYS 62 16.597 3.579 -4.479 402 H SER 63 H SER 63 18.914 -0.542 -3.852 403 HA SER 63 HA SER 63 19.870 -3.155 -3.156 404 2HB SER 63 2HB SER 63 19.003 -2.047 -0.795 405 HG SER 63 HG SER 63 21.401 -0.886 -1.524 406 H CYS 64 H CYS 64 18.496 -4.363 -1.361 407 HA CYS 64 HA CYS 64 16.105 -5.122 -2.536 408 2HB CYS 64 2HB CYS 64 15.781 -6.011 0.002 409 HG CYS 64 HG CYS 64 18.186 -7.641 -1.110 410 HA PRO 65 HA PRO 65 13.360 -2.122 -0.970 411 2HB PRO 65 2HB PRO 65 11.731 -2.702 -2.491 412 2HG PRO 65 2HG PRO 65 11.922 -4.837 -3.340 413 2HD PRO 65 2HD PRO 65 14.171 -5.201 -3.026 414 H GLU 66 H GLU 66 11.003 -2.350 0.500 415 HA GLU 66 HA GLU 66 12.061 -3.550 2.935 416 2HB GLU 66 2HB GLU 66 11.343 -1.656 4.252 417 2HG GLU 66 2HG GLU 66 13.298 -1.425 2.206 418 HE2 GLU 66 HE GLU 66 12.425 2.244 2.566 419 H GLY 67 H GLY 67 9.578 -2.474 4.364 420 1HA GLY 67 1HA GLY 67 7.389 -3.819 3.002 421 2HA GLY 67 2HA GLY 67 7.969 -4.597 4.460 422 H LYS 68 H LYS 68 8.403 -2.862 6.367 423 HA LYS 68 HA LYS 68 5.975 -1.991 7.229 424 2HB LYS 68 2HB LYS 68 8.596 -0.669 7.960 425 2HG LYS 68 2HG LYS 68 6.257 0.064 8.899 426 2HD LYS 68 2HD LYS 68 5.524 -2.355 9.278 427 2HE LYS 68 2HE LYS 68 7.991 -2.667 10.468 428 1HZ LYS 68 1HZ LYS 68 7.810 -1.876 12.560 429 2HZ LYS 68 2HZ LYS 68 6.199 -1.651 12.469 430 H ALA 69 H ALA 69 4.689 -0.187 7.003 431 HA ALA 69 HA ALA 69 3.883 1.662 6.096 432 1HB ALA 69 1HB ALA 69 5.150 3.445 6.628 433 2HB ALA 69 2HB ALA 69 6.456 2.304 7.029 434 3HB ALA 69 3HB ALA 69 6.368 3.021 5.402 435 H CYS 70 H CYS 70 2.978 0.664 4.254 436 HA CYS 70 HA CYS 70 4.682 0.462 1.918 437 2HB CYS 70 2HB CYS 70 3.207 -1.438 2.507 438 HG CYS 70 HG CYS 70 1.295 0.936 2.986 439 H LEU 71 H LEU 71 3.789 1.377 -0.195 440 HA LEU 71 HA LEU 71 3.327 4.087 0.030 441 2HB LEU 71 2HB LEU 71 2.446 3.669 -2.424 442 HG LEU 71 HG LEU 71 4.701 3.472 -3.307 443 1HD1 LEU 71 1HD1 LEU 71 4.700 5.254 -0.857 444 2HD1 LEU 71 2HD1 LEU 71 5.683 5.447 -2.328 445 3HD1 LEU 71 3HD1 LEU 71 3.915 5.643 -2.407 446 1HD2 LEU 71 1HD2 LEU 71 5.681 1.767 -1.985 447 2HD2 LEU 71 2HD2 LEU 71 6.630 3.243 -1.690 448 3HD2 LEU 71 3HD2 LEU 71 5.444 2.691 -0.483 449 H ARG 72 H ARG 72 1.375 5.337 -0.718 450 HA ARG 72 HA ARG 72 -0.798 4.544 0.834 451 2HB ARG 72 2HB ARG 72 -1.802 6.516 -0.853 452 2HG ARG 72 2HG ARG 72 -0.233 7.908 1.042 453 2HD ARG 72 2HD ARG 72 -2.835 6.761 1.969 454 HE ARG 72 HE ARG 72 -2.587 8.811 3.046 455 1HH1 ARG 72 2HH2 ARG 72 -1.451 9.180 -0.290 456 2HH1 ARG 72 1HH2 ARG 72 -1.142 10.877 -0.128 457 2HH2 ARG 72 1HH ARG 72 -1.578 11.954 1.967 458 H GLU 73 H GLU 73 -1.407 2.418 -0.010 459 HA GLU 73 HA GLU 73 -2.177 2.226 -2.740 460 2HB GLU 73 2HB GLU 73 -2.871 -0.096 -2.087 461 2HG GLU 73 2HG GLU 73 -0.202 1.081 -1.782 462 HE2 GLU 73 HE GLU 73 1.464 0.212 -0.577 463 H TRP 74 H TRP 74 -4.256 2.273 -3.623 464 HA TRP 74 HA TRP 74 -6.337 3.175 -1.774 465 2HB TRP 74 2HB TRP 74 -7.457 3.702 -4.074 466 HD1 TRP 74 HD TRP 74 -5.851 5.054 -1.247 467 HE1 TRP 74 1HE TRP 74 -5.420 7.657 -1.272 468 HE3 TRP 74 3HE TRP 74 -6.422 5.630 -6.266 469 HZ2 TRP 74 2HZ TRP 74 -5.367 9.621 -3.342 470 HZ3 TRP 74 3HZ TRP 74 -6.163 7.923 -7.209 471 HH2 TRP 74 HH TRP 74 -5.655 9.879 -5.834 472 H TRP 75 H TRP 75 -8.648 2.381 -2.590 473 HA TRP 75 HA TRP 75 -8.412 -0.461 -3.304 474 2HB TRP 75 2HB TRP 75 -10.366 -0.843 -1.791 475 HD1 TRP 75 HD TRP 75 -8.114 1.213 0.520 476 HE1 TRP 75 1HE TRP 75 -6.471 -0.324 1.900 477 HE3 TRP 75 3HE TRP 75 -9.142 -3.068 -2.024 478 HZ2 TRP 75 2HZ TRP 75 -5.801 -3.095 1.776 479 HZ3 TRP 75 3HZ TRP 75 -7.951 -5.146 -1.331 480 HH2 TRP 75 HH TRP 75 -6.330 -5.204 0.497 481 H ALA 76 H ALA 76 -10.156 -1.258 -4.635 482 HA ALA 76 HA ALA 76 -12.234 0.568 -5.414 483 1HB ALA 76 1HB ALA 76 -11.605 0.849 -7.682 484 2HB ALA 76 2HB ALA 76 -10.117 1.174 -6.759 485 3HB ALA 76 3HB ALA 76 -10.336 -0.395 -7.572 486 H LEU 77 H LEU 77 -13.690 -0.559 -7.105 487 HA LEU 77 HA LEU 77 -14.007 -3.279 -6.211 488 2HB LEU 77 2HB LEU 77 -16.128 -3.186 -7.311 489 HG LEU 77 HG LEU 77 -15.665 -0.441 -6.110 490 1HD1 LEU 77 1HD1 LEU 77 -17.899 -0.097 -6.103 491 2HD1 LEU 77 2HD1 LEU 77 -17.839 -1.202 -7.497 492 3HD1 LEU 77 3HD1 LEU 77 -18.282 -1.822 -5.889 493 1HD2 LEU 77 1HD2 LEU 77 -15.745 -3.103 -4.889 494 2HD2 LEU 77 2HD2 LEU 77 -15.179 -1.549 -4.232 495 3HD2 LEU 77 3HD2 LEU 77 -16.910 -1.960 -4.183 496 H ARG 78 H ARG 78 -14.288 -5.098 -7.735 497 HA ARG 78 HA ARG 78 -12.164 -5.078 -9.577 498 2HB ARG 78 2HB ARG 78 -14.355 -7.118 -8.964 499 2HG ARG 78 2HG ARG 78 -13.337 -7.299 -11.327 500 2HD ARG 78 2HD ARG 78 -10.898 -8.420 -9.933 501 HE ARG 78 HE ARG 78 -10.648 -8.802 -12.235 502 1HH1 ARG 78 2HH2 ARG 78 -11.740 -5.470 -11.727 503 2HH1 ARG 78 1HH2 ARG 78 -11.512 -5.012 -13.382 504 2HH2 ARG 78 1HH ARG 78 -10.694 -6.633 -14.947 Start of MODEL 9 1 1H MET 1 H MET 1 -21.120 1.858 12.919 2 HA MET 1 HA MET 1 -22.063 -0.047 12.464 3 2HB MET 1 2HB MET 1 -23.906 0.740 13.954 4 2HG MET 1 2HG MET 1 -24.485 2.448 11.677 5 1HE MET 1 1HE MET 1 -27.502 3.115 10.779 6 2HE MET 1 2HE MET 1 -28.505 2.506 12.117 7 3HE MET 1 3HE MET 1 -27.039 3.453 12.464 8 H ALA 2 H ALA 2 -21.140 1.616 10.283 9 HA ALA 2 HA ALA 2 -22.926 1.812 8.174 10 1HB ALA 2 1HB ALA 2 -20.743 2.910 8.216 11 2HB ALA 2 2HB ALA 2 -19.919 1.333 8.209 12 3HB ALA 2 3HB ALA 2 -20.852 1.856 6.786 13 H SER 3 H SER 3 -21.829 0.359 6.020 14 HA SER 3 HA SER 3 -21.983 -2.405 6.820 15 2HB SER 3 2HB SER 3 -24.294 -2.130 6.414 16 HG SER 3 HG SER 3 -25.168 -0.812 4.841 17 H LEU 4 H LEU 4 -21.537 -3.867 4.809 18 HA LEU 4 HA LEU 4 -19.201 -2.939 3.574 19 2HB LEU 4 2HB LEU 4 -20.376 -5.147 2.169 20 HG LEU 4 HG LEU 4 -18.493 -6.329 2.739 21 1HD1 LEU 4 1HD1 LEU 4 -18.107 -3.666 2.068 22 2HD1 LEU 4 2HD1 LEU 4 -16.980 -3.932 3.420 23 3HD1 LEU 4 3HD1 LEU 4 -16.900 -4.972 1.977 24 1HD2 LEU 4 1HD2 LEU 4 -18.525 -6.696 4.991 25 2HD2 LEU 4 2HD2 LEU 4 -17.144 -5.577 4.890 26 3HD2 LEU 4 3HD2 LEU 4 -18.744 -4.975 5.389 27 H ILE 5 H ILE 5 -22.641 -2.944 2.632 28 HA ILE 5 HA ILE 5 -22.263 -2.438 -0.086 29 HB ILE 5 HB ILE 5 -24.552 -1.497 1.636 30 2HG1 ILE 5 2HG1 ILE 5 -25.559 -3.754 0.991 31 1HG2 ILE 5 1HG2 ILE 5 -25.607 -0.995 -0.255 32 2HG2 ILE 5 2HG2 ILE 5 -24.045 -1.188 -1.086 33 3HG2 ILE 5 3HG2 ILE 5 -25.180 -2.556 -0.993 34 1HD1 ILE 5 1HD1 ILE 5 -23.659 -4.291 -0.646 35 2HD1 ILE 5 2HD1 ILE 5 -22.622 -4.532 0.780 36 3HD1 ILE 5 3HD1 ILE 5 -24.046 -5.570 0.530 37 H GLN 6 H GLN 6 -22.182 -0.349 2.809 38 HA GLN 6 HA GLN 6 -22.373 2.064 1.460 39 2HB GLN 6 2HB GLN 6 -20.796 2.623 3.675 40 2HG GLN 6 2HG GLN 6 -23.677 2.066 4.234 41 1HE2 GLN 6 1HE2 GLN 6 -21.692 4.846 3.246 42 2HE2 GLN 6 2HE2 GLN 6 -21.766 5.716 4.742 43 H VAL 7 H VAL 7 -19.454 0.231 2.623 44 HA VAL 7 HA VAL 7 -17.620 2.023 1.472 45 HB VAL 7 HB VAL 7 -17.061 0.571 3.315 46 1HG1 VAL 7 1HG1 VAL 7 -18.516 -1.337 2.690 47 2HG1 VAL 7 2HG1 VAL 7 -17.373 -1.761 1.394 48 3HG1 VAL 7 3HG1 VAL 7 -16.859 -1.844 3.096 49 1HG2 VAL 7 1HG2 VAL 7 -14.990 0.871 2.524 50 2HG2 VAL 7 2HG2 VAL 7 -15.123 -0.750 1.800 51 3HG2 VAL 7 3HG2 VAL 7 -15.531 0.691 0.837 52 H ARG 8 H ARG 8 -19.335 -0.895 0.301 53 HA ARG 8 HA ARG 8 -17.767 -1.194 -1.981 54 2HB ARG 8 2HB ARG 8 -20.005 -2.408 -2.780 55 2HG ARG 8 2HG ARG 8 -19.044 -3.672 -0.258 56 2HD ARG 8 2HD ARG 8 -18.353 -4.899 -2.850 57 HE ARG 8 HE ARG 8 -18.950 -5.869 -0.380 58 1HH1 ARG 8 2HH2 ARG 8 -20.661 -6.222 -3.462 59 2HH1 ARG 8 1HH2 ARG 8 -21.327 -7.770 -3.057 60 2HH2 ARG 8 1HH ARG 8 -20.822 -8.743 -0.927 61 H ASP 9 H ASP 9 -20.954 0.417 -1.340 62 HA ASP 9 HA ASP 9 -21.494 1.143 -3.926 63 2HB ASP 9 2HB ASP 9 -22.105 2.780 -1.421 64 HD2 ASP 9 HD ASP 9 -25.112 2.883 -3.866 65 H LEU 10 H LEU 10 -19.802 2.936 -1.247 66 HA LEU 10 HA LEU 10 -19.277 5.257 -2.687 67 2HB LEU 10 2HB LEU 10 -17.202 4.987 -0.875 68 HG LEU 10 HG LEU 10 -18.419 6.381 0.626 69 1HD1 LEU 10 1HD1 LEU 10 -18.078 6.995 -2.073 70 2HD1 LEU 10 2HD1 LEU 10 -19.718 7.566 -1.683 71 3HD1 LEU 10 3HD1 LEU 10 -18.327 8.138 -0.732 72 1HD2 LEU 10 1HD2 LEU 10 -21.005 6.684 -0.365 73 2HD2 LEU 10 2HD2 LEU 10 -20.724 4.927 -0.380 74 3HD2 LEU 10 3HD2 LEU 10 -20.518 5.848 1.129 75 H LEU 11 H LEU 11 -17.260 2.288 -2.168 76 HA LEU 11 HA LEU 11 -15.074 3.139 -3.632 77 2HB LEU 11 2HB LEU 11 -14.985 0.493 -4.017 78 HG LEU 11 HG LEU 11 -14.665 1.669 -1.244 79 1HD1 LEU 11 1HD1 LEU 11 -14.120 -0.404 -0.669 80 2HD1 LEU 11 2HD1 LEU 11 -14.219 -0.965 -2.356 81 3HD1 LEU 11 3HD1 LEU 11 -12.702 -0.266 -1.739 82 1HD2 LEU 11 1HD2 LEU 11 -12.180 1.758 -2.099 83 2HD2 LEU 11 2HD2 LEU 11 -12.958 1.884 -3.695 84 3HD2 LEU 11 3HD2 LEU 11 -13.312 3.090 -2.433 85 H ALA 12 H ALA 12 -18.287 2.142 -4.651 86 HA ALA 12 HA ALA 12 -17.418 1.663 -7.370 87 1HB ALA 12 1HB ALA 12 -20.301 1.895 -6.591 88 2HB ALA 12 2HB ALA 12 -19.500 0.723 -7.664 89 3HB ALA 12 3HB ALA 12 -19.364 0.550 -5.897 90 H LEU 13 H LEU 13 -19.737 3.909 -5.688 91 HA LEU 13 HA LEU 13 -20.091 5.577 -7.878 92 2HB LEU 13 2HB LEU 13 -20.626 7.253 -5.917 93 HG LEU 13 HG LEU 13 -22.444 6.317 -7.175 94 1HD1 LEU 13 1HD1 LEU 13 -21.938 4.076 -7.535 95 2HD1 LEU 13 2HD1 LEU 13 -21.705 3.742 -5.802 96 3HD1 LEU 13 3HD1 LEU 13 -23.344 4.009 -6.445 97 1HD2 LEU 13 1HD2 LEU 13 -23.393 7.307 -5.342 98 2HD2 LEU 13 2HD2 LEU 13 -23.998 5.644 -5.150 99 3HD2 LEU 13 3HD2 LEU 13 -22.605 6.200 -4.192 100 H ARG 14 H ARG 14 -17.971 6.095 -4.967 101 HA ARG 14 HA ARG 14 -16.702 8.261 -6.236 102 2HB ARG 14 2HB ARG 14 -15.040 7.893 -4.224 103 2HG ARG 14 2HG ARG 14 -16.584 9.650 -3.911 104 2HD ARG 14 2HD ARG 14 -18.803 7.544 -3.911 105 HE ARG 14 HE ARG 14 -19.783 9.317 -2.700 106 1HH1 ARG 14 2HH2 ARG 14 -18.099 10.590 -5.545 107 2HH1 ARG 14 1HH2 ARG 14 -18.779 12.176 -5.392 108 2HH2 ARG 14 1HH ARG 14 -20.294 12.635 -3.593 109 H GLY 15 H GLY 15 -16.502 4.914 -6.687 110 1HA GLY 15 1HA GLY 15 -15.092 3.626 -7.879 111 2HA GLY 15 2HA GLY 15 -14.238 5.074 -8.374 112 H ARG 16 H ARG 16 -12.103 4.396 -8.090 113 HA ARG 16 HA ARG 16 -11.322 2.920 -5.855 114 2HB ARG 16 2HB ARG 16 -10.151 3.124 -8.157 115 2HG ARG 16 2HG ARG 16 -8.365 4.882 -8.243 116 2HD ARG 16 2HD ARG 16 -11.059 6.245 -7.845 117 HE ARG 16 HE ARG 16 -9.276 6.784 -10.131 118 1HH1 ARG 16 2HH2 ARG 16 -10.218 7.733 -6.850 119 2HH1 ARG 16 1HH2 ARG 16 -9.560 9.329 -6.989 120 2HH2 ARG 16 1HH ARG 16 -8.500 9.987 -9.035 121 H MET 17 H MET 17 -10.357 3.577 -3.883 122 HA MET 17 HA MET 17 -9.334 6.114 -3.458 123 2HB MET 17 2HB MET 17 -12.098 5.686 -2.202 124 2HG MET 17 2HG MET 17 -10.577 7.221 -0.961 125 1HE MET 17 1HE MET 17 -12.056 9.357 -3.419 126 2HE MET 17 2HE MET 17 -10.791 10.558 -3.773 127 3HE MET 17 3HE MET 17 -10.998 9.144 -4.835 128 H GLU 18 H GLU 18 -8.787 6.471 -1.090 129 HA GLU 18 HA GLU 18 -8.075 3.961 0.019 130 2HB GLU 18 2HB GLU 18 -7.726 6.429 1.657 131 2HG GLU 18 2HG GLU 18 -5.248 5.443 1.228 132 HE2 GLU 18 HE GLU 18 -6.413 2.779 2.463 133 H ALA 19 H ALA 19 -8.440 3.545 2.470 134 HA ALA 19 HA ALA 19 -11.230 3.465 2.905 135 1HB ALA 19 1HB ALA 19 -9.117 1.994 3.728 136 2HB ALA 19 2HB ALA 19 -9.322 3.031 5.160 137 3HB ALA 19 3HB ALA 19 -10.673 2.019 4.594 138 H ALA 20 H ALA 20 -8.540 5.556 4.027 139 HA ALA 20 HA ALA 20 -9.630 6.821 6.143 140 1HB ALA 20 1HB ALA 20 -8.122 8.100 3.826 141 2HB ALA 20 2HB ALA 20 -8.257 8.752 5.477 142 3HB ALA 20 3HB ALA 20 -7.381 7.229 5.189 143 H GLN 21 H GLN 21 -10.476 7.218 2.679 144 HA GLN 21 HA GLN 21 -12.183 9.416 3.225 145 2HB GLN 21 2HB GLN 21 -12.960 8.585 0.748 146 2HG GLN 21 2HG GLN 21 -10.577 9.801 0.116 147 1HE2 GLN 21 1HE2 GLN 21 -13.374 10.558 2.185 148 2HE2 GLN 21 2HE2 GLN 21 -14.049 11.810 1.196 149 H ILE 22 H ILE 22 -12.659 5.926 2.337 150 HA ILE 22 HA ILE 22 -15.416 5.932 2.375 151 HB ILE 22 HB ILE 22 -13.424 3.767 3.043 152 2HG1 ILE 22 2HG1 ILE 22 -13.750 5.041 0.678 153 1HG2 ILE 22 1HG2 ILE 22 -15.103 2.479 3.703 154 2HG2 ILE 22 2HG2 ILE 22 -16.282 3.770 3.371 155 3HG2 ILE 22 3HG2 ILE 22 -15.819 2.633 2.081 156 1HD1 ILE 22 1HD1 ILE 22 -11.991 3.440 0.984 157 2HD1 ILE 22 2HD1 ILE 22 -13.147 2.120 1.280 158 3HD1 ILE 22 3HD1 ILE 22 -12.982 2.807 -0.353 159 H SER 23 H SER 23 -13.084 5.279 5.074 160 HA SER 23 HA SER 23 -14.958 4.741 6.983 161 2HB SER 23 2HB SER 23 -12.464 4.473 7.196 162 HG SER 23 HG SER 23 -11.517 6.384 6.638 163 H GLN 24 H GLN 24 -13.650 7.890 5.817 164 HA GLN 24 HA GLN 24 -14.761 9.474 7.775 165 2HB GLN 24 2HB GLN 24 -14.803 11.007 5.408 166 2HG GLN 24 2HG GLN 24 -12.138 10.908 6.542 167 1HE2 GLN 24 1HE2 GLN 24 -11.503 12.881 6.188 168 2HE2 GLN 24 2HE2 GLN 24 -12.454 14.328 6.260 169 H THR 25 H THR 25 -16.093 8.326 4.617 170 HA THR 25 HA THR 25 -18.417 9.791 4.549 171 HB THR 25 HB THR 25 -18.014 6.864 3.740 172 HG1 THR 25 1HG THR 25 -16.383 7.981 2.680 173 1HG2 THR 25 1HG2 THR 25 -19.469 7.597 1.802 174 2HG2 THR 25 2HG2 THR 25 -20.332 7.636 3.357 175 3HG2 THR 25 3HG2 THR 25 -19.732 9.148 2.634 176 H LEU 26 H LEU 26 -17.762 6.725 6.336 177 HA LEU 26 HA LEU 26 -20.386 7.063 7.594 178 2HB LEU 26 2HB LEU 26 -20.495 4.935 6.927 179 HG LEU 26 HG LEU 26 -17.498 4.939 6.854 180 1HD1 LEU 26 1HD1 LEU 26 -18.813 2.309 6.446 181 2HD1 LEU 26 2HD1 LEU 26 -17.203 2.709 7.092 182 3HD1 LEU 26 3HD1 LEU 26 -18.642 2.867 8.129 183 1HD2 LEU 26 1HD2 LEU 26 -18.961 5.539 4.885 184 2HD2 LEU 26 2HD2 LEU 26 -17.781 4.235 4.607 185 3HD2 LEU 26 3HD2 LEU 26 -19.497 3.841 4.869 186 H ASN 27 H ASN 27 -17.772 8.598 8.096 187 HA ASN 27 HA ASN 27 -16.445 9.152 9.753 188 2HB ASN 27 2HB ASN 27 -18.450 8.830 11.903 189 1HD2 ASN 27 1HD2 ASN 27 -18.405 10.572 13.189 190 2HD2 ASN 27 2HD2 ASN 27 -17.471 12.004 12.912 191 H THR 28 H THR 28 -16.508 6.230 9.239 192 HA THR 28 HA THR 28 -16.514 4.967 11.844 193 HB THR 28 HB THR 28 -17.009 4.188 9.177 194 HG1 THR 28 1HG THR 28 -17.940 2.962 10.798 195 1HG2 THR 28 1HG2 THR 28 -14.429 2.954 10.275 196 2HG2 THR 28 2HG2 THR 28 -15.415 2.219 8.987 197 3HG2 THR 28 3HG2 THR 28 -14.620 3.790 8.715 198 HA PRO 29 HA PRO 29 -12.301 5.183 12.619 199 2HB PRO 29 2HB PRO 29 -12.518 4.129 14.654 200 2HG PRO 29 2HG PRO 29 -14.356 2.747 14.832 201 2HD PRO 29 2HD PRO 29 -15.727 3.685 13.243 202 H GLN 30 H GLN 30 -10.334 5.081 11.654 203 HA GLN 30 HA GLN 30 -10.174 4.039 9.193 204 2HB GLN 30 2HB GLN 30 -7.617 3.820 10.667 205 2HG GLN 30 2HG GLN 30 -7.150 5.784 9.012 206 1HE2 GLN 30 1HE2 GLN 30 -8.945 3.932 6.870 207 2HE2 GLN 30 2HE2 GLN 30 -7.771 2.738 6.433 208 HA PRO 31 HA PRO 31 -8.497 -0.020 10.992 209 2HB PRO 31 2HB PRO 31 -7.192 0.134 12.883 210 2HG PRO 31 2HG PRO 31 -7.510 2.055 14.120 211 2HD PRO 31 2HD PRO 31 -8.325 3.457 12.491 212 H MET 32 H MET 32 -10.898 0.440 9.964 213 HA MET 32 HA MET 32 -12.379 -1.662 11.288 214 2HB MET 32 2HB MET 32 -13.920 0.749 10.296 215 2HG MET 32 2HG MET 32 -15.004 -1.379 11.215 216 1HE MET 32 1HE MET 32 -15.223 -2.954 14.547 217 2HE MET 32 2HE MET 32 -16.183 -1.456 14.489 218 3HE MET 32 3HE MET 32 -16.050 -2.485 13.042 219 H ILE 33 H ILE 33 -12.190 0.652 8.505 220 HA ILE 33 HA ILE 33 -13.726 -1.057 6.816 221 HB ILE 33 HB ILE 33 -12.020 1.368 6.242 222 2HG1 ILE 33 2HG1 ILE 33 -14.111 2.597 6.204 223 1HG2 ILE 33 1HG2 ILE 33 -14.112 0.854 4.318 224 2HG2 ILE 33 2HG2 ILE 33 -12.366 1.095 4.068 225 3HG2 ILE 33 3HG2 ILE 33 -12.999 -0.531 4.423 226 1HD1 ILE 33 1HD1 ILE 33 -15.264 -0.044 6.039 227 2HD1 ILE 33 2HD1 ILE 33 -15.869 0.748 7.514 228 3HD1 ILE 33 3HD1 ILE 33 -16.086 1.531 5.930 229 H ASN 34 H ASN 34 -10.255 -0.470 7.487 230 HA ASN 34 HA ASN 34 -9.164 -1.698 5.336 231 2HB ASN 34 2HB ASN 34 -7.317 -2.401 7.075 232 1HD2 ASN 34 1HD2 ASN 34 -7.597 0.309 8.736 233 2HD2 ASN 34 2HD2 ASN 34 -6.970 1.496 7.641 234 H ALA 35 H ALA 35 -10.499 -3.090 8.393 235 HA ALA 35 HA ALA 35 -9.662 -5.717 8.025 236 1HB ALA 35 1HB ALA 35 -10.928 -4.324 9.977 237 2HB ALA 35 2HB ALA 35 -12.312 -5.212 9.294 238 3HB ALA 35 3HB ALA 35 -10.899 -6.103 9.909 239 H MET 36 H MET 36 -12.671 -3.992 6.985 240 HA MET 36 HA MET 36 -13.863 -6.237 5.878 241 2HB MET 36 2HB MET 36 -15.391 -4.617 4.866 242 2HG MET 36 2HG MET 36 -14.822 -2.718 6.967 243 1HE MET 36 1HE MET 36 -18.219 -3.036 8.575 244 2HE MET 36 2HE MET 36 -16.650 -3.487 9.288 245 3HE MET 36 3HE MET 36 -16.772 -2.054 8.238 246 H LEU 37 H LEU 37 -11.861 -3.607 4.380 247 HA LEU 37 HA LEU 37 -12.020 -4.483 1.769 248 2HB LEU 37 2HB LEU 37 -9.732 -3.328 1.605 249 HG LEU 37 HG LEU 37 -12.208 -1.931 2.606 250 1HD1 LEU 37 1HD1 LEU 37 -9.489 -0.892 2.660 251 2HD1 LEU 37 2HD1 LEU 37 -10.559 0.074 1.615 252 3HD1 LEU 37 3HD1 LEU 37 -10.994 -0.206 3.317 253 1HD2 LEU 37 1HD2 LEU 37 -11.589 -0.892 0.162 254 2HD2 LEU 37 2HD2 LEU 37 -10.984 -2.559 0.000 255 3HD2 LEU 37 3HD2 LEU 37 -12.685 -2.268 0.440 256 H GLN 38 H GLN 38 -9.902 -5.547 4.471 257 HA GLN 38 HA GLN 38 -8.214 -7.103 2.936 258 2HB GLN 38 2HB GLN 38 -8.843 -8.136 5.651 259 2HG GLN 38 2HG GLN 38 -6.242 -6.957 5.405 260 1HE2 GLN 38 1HE2 GLN 38 -5.966 -9.772 3.773 261 2HE2 GLN 38 2HE2 GLN 38 -5.868 -10.917 5.068 262 H GLN 39 H GLN 39 -11.385 -7.820 4.492 263 HA GLN 39 HA GLN 39 -11.350 -10.543 4.021 264 2HB GLN 39 2HB GLN 39 -14.003 -9.214 3.844 265 2HG GLN 39 2HG GLN 39 -12.652 -11.295 5.609 266 1HE2 GLN 39 1HE2 GLN 39 -14.492 -12.607 6.696 267 2HE2 GLN 39 2HE2 GLN 39 -15.599 -11.697 7.669 268 H LEU 40 H LEU 40 -12.724 -7.814 2.062 269 HA LEU 40 HA LEU 40 -13.733 -9.415 0.017 270 2HB LEU 40 2HB LEU 40 -13.880 -7.376 -1.249 271 HG LEU 40 HG LEU 40 -14.536 -7.169 1.663 272 1HD1 LEU 40 1HD1 LEU 40 -13.653 -4.902 0.483 273 2HD1 LEU 40 2HD1 LEU 40 -15.373 -4.852 0.023 274 3HD1 LEU 40 3HD1 LEU 40 -14.912 -4.949 1.740 275 1HD2 LEU 40 1HD2 LEU 40 -16.404 -8.060 0.854 276 2HD2 LEU 40 2HD2 LEU 40 -16.730 -6.493 0.077 277 3HD2 LEU 40 3HD2 LEU 40 -15.894 -7.778 -0.828 278 H GLU 41 H GLU 41 -10.483 -8.019 0.624 279 HA GLU 41 HA GLU 41 -9.463 -8.599 -1.892 280 2HB GLU 41 2HB GLU 41 -8.060 -8.349 0.805 281 2HG GLU 41 2HG GLU 41 -6.551 -7.544 -1.574 282 HE2 GLU 41 HE GLU 41 -5.727 -10.624 0.252 283 H SER 42 H SER 42 -9.348 -10.433 1.238 284 HA SER 42 HA SER 42 -7.824 -12.516 0.375 285 2HB SER 42 2HB SER 42 -10.191 -12.893 2.240 286 HG SER 42 HG SER 42 -7.782 -14.200 1.712 287 H MET 43 H MET 43 -11.405 -12.036 0.160 288 HA MET 43 HA MET 43 -11.854 -14.558 -0.996 289 2HB MET 43 2HB MET 43 -14.109 -13.381 -1.608 290 2HG MET 43 2HG MET 43 -13.667 -12.833 1.290 291 1HE MET 43 1HE MET 43 -15.075 -15.509 -1.340 292 2HE MET 43 2HE MET 43 -14.723 -16.272 0.229 293 3HE MET 43 3HE MET 43 -16.406 -16.124 -0.331 294 H GLY 44 H GLY 44 -11.565 -11.198 -2.320 295 1HA GLY 44 1HA GLY 44 -10.391 -10.893 -4.383 296 2HA GLY 44 2HA GLY 44 -11.058 -12.404 -4.968 297 H LYS 45 H LYS 45 -12.625 -9.614 -3.248 298 HA LYS 45 HA LYS 45 -14.570 -9.545 -5.435 299 2HB LYS 45 2HB LYS 45 -16.149 -8.766 -3.915 300 2HG LYS 45 2HG LYS 45 -15.846 -10.171 -1.812 301 2HD LYS 45 2HD LYS 45 -15.000 -11.862 -4.167 302 2HE LYS 45 2HE LYS 45 -15.934 -12.577 -1.754 303 1HZ LYS 45 1HZ LYS 45 -18.307 -11.735 -3.281 304 2HZ LYS 45 2HZ LYS 45 -18.429 -13.010 -2.276 305 H ALA 46 H ALA 46 -12.354 -7.527 -3.430 306 HA ALA 46 HA ALA 46 -12.814 -5.327 -5.309 307 1HB ALA 46 1HB ALA 46 -12.389 -3.907 -3.569 308 2HB ALA 46 2HB ALA 46 -12.865 -5.320 -2.596 309 3HB ALA 46 3HB ALA 46 -11.142 -4.967 -2.869 310 H VAL 47 H VAL 47 -10.598 -3.944 -5.492 311 HA VAL 47 HA VAL 47 -8.413 -5.837 -5.965 312 HB VAL 47 HB VAL 47 -7.966 -4.792 -8.113 313 1HG1 VAL 47 1HG1 VAL 47 -9.626 -5.905 -9.368 314 2HG1 VAL 47 2HG1 VAL 47 -9.553 -6.786 -7.823 315 3HG1 VAL 47 3HG1 VAL 47 -10.872 -5.630 -8.127 316 1HG2 VAL 47 1HG2 VAL 47 -10.577 -3.283 -7.762 317 2HG2 VAL 47 2HG2 VAL 47 -8.959 -2.565 -7.571 318 3HG2 VAL 47 3HG2 VAL 47 -9.466 -3.207 -9.151 319 H ARG 48 H ARG 48 -6.278 -4.828 -5.943 320 HA ARG 48 HA ARG 48 -6.272 -2.662 -4.093 321 2HB ARG 48 2HB ARG 48 -3.618 -3.084 -4.703 322 2HG ARG 48 2HG ARG 48 -5.196 -5.030 -2.970 323 2HD ARG 48 2HD ARG 48 -3.064 -4.389 -1.495 324 HE ARG 48 HE ARG 48 -3.453 -6.462 -3.512 325 1HH1 ARG 48 2HH2 ARG 48 -1.148 -5.169 -1.152 326 2HH1 ARG 48 1HH2 ARG 48 -0.293 -6.665 -0.981 327 2HH2 ARG 48 1HH ARG 48 -1.002 -8.573 -2.247 328 H ILE 49 H ILE 49 -5.507 -0.529 -4.490 329 HA ILE 49 HA ILE 49 -4.897 0.044 -7.308 330 HB ILE 49 HB ILE 49 -6.548 1.612 -5.330 331 2HG1 ILE 49 2HG1 ILE 49 -8.390 1.104 -6.600 332 1HG2 ILE 49 1HG2 ILE 49 -5.520 2.456 -8.052 333 2HG2 ILE 49 2HG2 ILE 49 -6.774 3.308 -7.119 334 3HG2 ILE 49 3HG2 ILE 49 -5.119 3.182 -6.477 335 1HD1 ILE 49 1HD1 ILE 49 -7.595 1.919 -8.766 336 2HD1 ILE 49 2HD1 ILE 49 -6.480 0.538 -8.914 337 3HD1 ILE 49 3HD1 ILE 49 -8.239 0.273 -8.975 338 H GLN 50 H GLN 50 -3.348 1.756 -7.697 339 HA GLN 50 HA GLN 50 -1.658 2.173 -5.355 340 2HB GLN 50 2HB GLN 50 -0.949 1.777 -8.285 341 2HG GLN 50 2HG GLN 50 0.678 2.980 -6.018 342 1HE2 GLN 50 1HE2 GLN 50 2.843 2.794 -5.965 343 2HE2 GLN 50 2HE2 GLN 50 3.773 1.677 -6.908 344 H GLU 51 H GLU 51 -0.530 4.273 -5.214 345 HA GLU 51 HA GLU 51 -2.196 6.333 -6.370 346 2HB GLU 51 2HB GLU 51 -0.107 7.313 -4.589 347 2HG GLU 51 2HG GLU 51 -2.864 7.160 -3.552 348 HE2 GLU 51 HE GLU 51 -2.938 10.186 -2.903 349 H GLU 52 H GLU 52 -0.865 8.493 -6.884 350 HA GLU 52 HA GLU 52 0.501 8.090 -9.157 351 2HB GLU 52 2HB GLU 52 1.498 10.416 -8.714 352 2HG GLU 52 2HG GLU 52 -1.437 10.437 -8.003 353 HE2 GLU 52 HE GLU 52 -1.648 13.280 -8.850 354 HA PRO 53 HA PRO 53 4.488 6.767 -8.072 355 2HB PRO 53 2HB PRO 53 4.960 6.142 -10.238 356 2HG PRO 53 2HG PRO 53 3.699 7.213 -11.845 357 2HD PRO 53 2HD PRO 53 1.856 7.791 -10.599 358 H ASP 54 H ASP 54 7.020 7.791 -8.611 359 HA ASP 54 HA ASP 54 7.132 10.479 -7.908 360 2HB ASP 54 2HB ASP 54 8.050 8.688 -5.638 361 HD2 ASP 54 HD ASP 54 8.111 9.857 -3.701 362 H GLY 55 H GLY 55 9.568 10.993 -7.193 363 1HA GLY 55 1HA GLY 55 11.674 9.316 -7.234 364 2HA GLY 55 2HA GLY 55 11.292 9.457 -8.938 365 H CYS 56 H CYS 56 13.676 10.445 -7.390 366 HA CYS 56 HA CYS 56 13.551 13.161 -8.396 367 2HB CYS 56 2HB CYS 56 14.925 13.034 -5.799 368 HG CYS 56 HG CYS 56 12.544 14.827 -7.248 369 H LEU 57 H LEU 57 15.547 10.703 -6.595 370 HA LEU 57 HA LEU 57 17.866 11.519 -8.148 371 2HB LEU 57 2HB LEU 57 18.592 9.443 -6.454 372 HG LEU 57 HG LEU 57 19.576 11.122 -4.986 373 1HD1 LEU 57 1HD1 LEU 57 20.883 10.629 -6.892 374 2HD1 LEU 57 2HD1 LEU 57 19.852 11.619 -7.954 375 3HD1 LEU 57 3HD1 LEU 57 20.888 12.403 -6.737 376 1HD2 LEU 57 1HD2 LEU 57 18.752 13.161 -4.686 377 2HD2 LEU 57 2HD2 LEU 57 18.835 13.518 -6.428 378 3HD2 LEU 57 3HD2 LEU 57 17.401 12.709 -5.753 379 H SER 58 H SER 58 19.334 9.478 -8.770 380 HA SER 58 HA SER 58 17.727 7.292 -9.687 381 2HB SER 58 2HB SER 58 18.740 7.624 -12.074 382 HG SER 58 HG SER 58 16.992 9.578 -12.236 383 H GLY 59 H GLY 59 20.923 8.955 -10.249 384 1HA GLY 59 1HA GLY 59 22.311 6.407 -10.182 385 2HA GLY 59 2HA GLY 59 22.990 7.994 -10.491 386 H SER 60 H SER 60 24.244 6.122 -8.755 387 HA SER 60 HA SER 60 23.525 6.443 -6.105 388 2HB SER 60 2HB SER 60 26.149 5.922 -5.853 389 HG SER 60 HG SER 60 24.711 3.865 -7.202 390 H CYS 61 H CYS 61 23.922 8.057 -4.592 391 HA CYS 61 HA CYS 61 26.074 9.838 -4.812 392 2HB CYS 61 2HB CYS 61 23.504 11.326 -5.257 393 HG CYS 61 HG CYS 61 26.378 11.939 -6.659 394 H LYS 62 H LYS 62 26.475 10.373 -2.685 395 HA LYS 62 HA LYS 62 26.183 10.681 -0.520 396 2HB LYS 62 2HB LYS 62 23.417 11.332 -0.260 397 2HG LYS 62 2HG LYS 62 24.769 13.727 -0.421 398 2HD LYS 62 2HD LYS 62 24.943 11.768 1.917 399 2HE LYS 62 2HE LYS 62 26.314 13.900 2.085 400 1HZ LYS 62 1HZ LYS 62 23.646 15.077 1.626 401 2HZ LYS 62 2HZ LYS 62 24.752 15.890 2.501 402 H SER 63 H SER 63 24.994 9.816 1.489 403 HA SER 63 HA SER 63 24.911 7.111 1.348 404 2HB SER 63 2HB SER 63 23.502 7.362 3.545 405 HG SER 63 HG SER 63 26.138 8.201 2.980 406 H CYS 64 H CYS 64 23.122 5.537 1.492 407 HA CYS 64 HA CYS 64 20.679 6.590 0.260 408 2HB CYS 64 2HB CYS 64 21.154 3.721 -0.123 409 HG CYS 64 HG CYS 64 20.805 6.368 -2.089 410 HA PRO 65 HA PRO 65 19.086 5.049 4.071 411 2HB PRO 65 2HB PRO 65 17.908 6.984 4.483 412 2HG PRO 65 2HG PRO 65 17.658 8.367 2.655 413 2HD PRO 65 2HD PRO 65 19.461 7.704 1.391 414 H GLU 66 H GLU 66 16.452 4.249 4.493 415 HA GLU 66 HA GLU 66 16.324 2.068 2.560 416 2HB GLU 66 2HB GLU 66 17.142 1.060 4.566 417 2HG GLU 66 2HG GLU 66 15.351 1.487 6.628 418 HE2 GLU 66 HE GLU 66 17.755 0.642 6.747 419 H GLY 67 H GLY 67 14.555 2.508 1.302 420 1HA GLY 67 1HA GLY 67 12.325 4.004 2.324 421 2HA GLY 67 2HA GLY 67 12.514 3.315 0.725 422 H LYS 68 H LYS 68 11.342 2.790 4.022 423 HA LYS 68 HA LYS 68 10.455 0.103 3.317 424 2HB LYS 68 2HB LYS 68 11.638 0.446 5.458 425 2HG LYS 68 2HG LYS 68 10.027 2.757 5.648 426 2HD LYS 68 2HD LYS 68 8.258 1.071 6.546 427 2HE LYS 68 2HE LYS 68 10.387 0.985 8.716 428 1HZ LYS 68 1HZ LYS 68 7.468 0.522 9.015 429 2HZ LYS 68 2HZ LYS 68 8.573 0.034 10.108 430 H ALA 69 H ALA 69 8.127 -0.421 4.176 431 HA ALA 69 HA ALA 69 5.942 -0.098 4.026 432 1HB ALA 69 1HB ALA 69 6.796 2.095 5.368 433 2HB ALA 69 2HB ALA 69 6.091 2.880 3.936 434 3HB ALA 69 3HB ALA 69 5.088 1.816 4.950 435 H CYS 70 H CYS 70 4.409 0.026 2.349 436 HA CYS 70 HA CYS 70 5.583 0.704 -0.207 437 2HB CYS 70 2HB CYS 70 4.467 -1.472 0.042 438 HG CYS 70 HG CYS 70 1.853 -1.770 0.147 439 H LEU 71 H LEU 71 4.331 2.075 -1.762 440 HA LEU 71 HA LEU 71 3.602 4.497 -0.687 441 2HB LEU 71 2HB LEU 71 2.329 4.564 -3.046 442 HG LEU 71 HG LEU 71 4.423 5.111 -4.191 443 1HD1 LEU 71 1HD1 LEU 71 4.545 6.286 -1.411 444 2HD1 LEU 71 2HD1 LEU 71 4.962 7.049 -2.965 445 3HD1 LEU 71 3HD1 LEU 71 3.262 6.696 -2.576 446 1HD2 LEU 71 1HD2 LEU 71 6.160 3.793 -3.630 447 2HD2 LEU 71 2HD2 LEU 71 6.468 5.060 -2.419 448 3HD2 LEU 71 3HD2 LEU 71 5.601 3.577 -1.954 449 H ARG 72 H ARG 72 1.413 5.593 -0.825 450 HA ARG 72 HA ARG 72 -0.349 4.179 0.765 451 2HB ARG 72 2HB ARG 72 -1.881 6.224 -0.384 452 2HG ARG 72 2HG ARG 72 -0.235 7.434 1.606 453 2HD ARG 72 2HD ARG 72 -2.987 6.385 1.306 454 HE ARG 72 HE ARG 72 -2.942 5.304 3.383 455 1HH1 ARG 72 2HH2 ARG 72 -1.046 8.289 3.607 456 2HH1 ARG 72 1HH2 ARG 72 -0.829 8.168 5.321 457 2HH2 ARG 72 1HH ARG 72 -1.783 6.312 6.498 458 H GLU 73 H GLU 73 -0.969 2.187 -0.249 459 HA GLU 73 HA GLU 73 -1.952 2.188 -2.894 460 2HB GLU 73 2HB GLU 73 -2.549 -0.196 -2.374 461 2HG GLU 73 2HG GLU 73 0.195 0.524 -1.255 462 HE2 GLU 73 HE GLU 73 1.113 -2.753 -1.953 463 H TRP 74 H TRP 74 -4.069 2.281 -3.657 464 HA TRP 74 HA TRP 74 -6.070 2.959 -1.634 465 2HB TRP 74 2HB TRP 74 -7.327 3.622 -3.829 466 HD1 TRP 74 HD TRP 74 -5.681 4.810 -0.972 467 HE1 TRP 74 1HE TRP 74 -5.313 7.418 -0.813 468 HE3 TRP 74 3HE TRP 74 -6.384 5.741 -5.921 469 HZ2 TRP 74 2HZ TRP 74 -5.356 9.531 -2.731 470 HZ3 TRP 74 3HZ TRP 74 -6.203 8.104 -6.695 471 HH2 TRP 74 HH TRP 74 -5.708 9.965 -5.189 472 H TRP 75 H TRP 75 -8.401 2.162 -2.385 473 HA TRP 75 HA TRP 75 -8.124 -0.622 -3.296 474 2HB TRP 75 2HB TRP 75 -10.052 -1.113 -1.760 475 HD1 TRP 75 HD TRP 75 -7.721 0.777 0.612 476 HE1 TRP 75 1HE TRP 75 -6.035 -0.850 1.825 477 HE3 TRP 75 3HE TRP 75 -8.836 -3.316 -2.192 478 HZ2 TRP 75 2HZ TRP 75 -5.371 -3.604 1.484 479 HZ3 TRP 75 3HZ TRP 75 -7.622 -5.434 -1.687 480 HH2 TRP 75 HH TRP 75 -5.943 -5.619 0.079 481 H ALA 76 H ALA 76 -9.907 -1.391 -4.604 482 HA ALA 76 HA ALA 76 -11.998 0.486 -5.262 483 1HB ALA 76 1HB ALA 76 -11.394 0.238 -7.751 484 2HB ALA 76 2HB ALA 76 -10.382 1.338 -6.782 485 3HB ALA 76 3HB ALA 76 -9.788 -0.290 -7.192 486 H LEU 77 H LEU 77 -13.399 -0.634 -7.125 487 HA LEU 77 HA LEU 77 -13.809 -3.342 -6.164 488 2HB LEU 77 2HB LEU 77 -15.965 -3.189 -7.113 489 HG LEU 77 HG LEU 77 -15.432 -0.364 -6.169 490 1HD1 LEU 77 1HD1 LEU 77 -17.869 -0.891 -5.255 491 2HD1 LEU 77 2HD1 LEU 77 -17.587 -0.272 -6.901 492 3HD1 LEU 77 3HD1 LEU 77 -17.874 -2.010 -6.638 493 1HD2 LEU 77 1HD2 LEU 77 -14.539 -1.578 -4.412 494 2HD2 LEU 77 2HD2 LEU 77 -16.240 -1.388 -3.921 495 3HD2 LEU 77 3HD2 LEU 77 -15.681 -2.927 -4.621 496 H ARG 78 H ARG 78 -14.240 -5.112 -7.747 497 HA ARG 78 HA ARG 78 -12.135 -5.158 -9.604 498 2HB ARG 78 2HB ARG 78 -14.452 -7.076 -9.061 499 2HG ARG 78 2HG ARG 78 -13.428 -7.233 -11.427 500 2HD ARG 78 2HD ARG 78 -11.036 -8.076 -9.724 501 HE ARG 78 HE ARG 78 -11.793 -9.371 -12.040 502 1HH1 ARG 78 2HH2 ARG 78 -9.114 -7.185 -11.269 503 2HH1 ARG 78 1HH2 ARG 78 -8.046 -7.881 -12.442 504 2HH2 ARG 78 1HH ARG 78 -8.814 -9.705 -13.794 Start of MODEL 10 1 1H MET 1 H MET 1 -26.546 3.660 11.497 2 HA MET 1 HA MET 1 -25.182 1.751 11.292 3 2HB MET 1 2HB MET 1 -26.808 0.452 9.541 4 2HG MET 1 2HG MET 1 -27.651 1.663 12.216 5 1HE MET 1 1HE MET 1 -29.572 -1.139 13.240 6 2HE MET 1 2HE MET 1 -29.134 0.547 13.599 7 3HE MET 1 3HE MET 1 -30.778 0.154 13.046 8 H ALA 2 H ALA 2 -23.409 0.915 10.266 9 HA ALA 2 HA ALA 2 -22.914 1.846 7.544 10 1HB ALA 2 1HB ALA 2 -21.196 0.707 9.770 11 2HB ALA 2 2HB ALA 2 -20.593 0.882 8.104 12 3HB ALA 2 3HB ALA 2 -21.112 2.319 9.018 13 H SER 3 H SER 3 -21.388 -0.027 6.388 14 HA SER 3 HA SER 3 -21.927 -2.646 6.790 15 2HB SER 3 2HB SER 3 -24.267 -2.432 6.456 16 HG SER 3 HG SER 3 -24.746 -0.504 5.559 17 H LEU 4 H LEU 4 -21.374 -3.999 4.770 18 HA LEU 4 HA LEU 4 -19.148 -2.901 3.513 19 2HB LEU 4 2HB LEU 4 -20.134 -5.058 1.970 20 HG LEU 4 HG LEU 4 -18.352 -6.338 2.838 21 1HD1 LEU 4 1HD1 LEU 4 -16.657 -4.122 3.219 22 2HD1 LEU 4 2HD1 LEU 4 -16.952 -5.033 1.718 23 3HD1 LEU 4 3HD1 LEU 4 -17.925 -3.589 2.089 24 1HD2 LEU 4 1HD2 LEU 4 -17.478 -6.270 4.931 25 2HD2 LEU 4 2HD2 LEU 4 -17.663 -4.506 5.080 26 3HD2 LEU 4 3HD2 LEU 4 -19.074 -5.571 5.292 27 H ILE 5 H ILE 5 -22.595 -3.119 2.558 28 HA ILE 5 HA ILE 5 -22.337 -2.468 -0.106 29 HB ILE 5 HB ILE 5 -24.548 -1.565 1.736 30 2HG1 ILE 5 2HG1 ILE 5 -25.577 -3.815 1.040 31 1HG2 ILE 5 1HG2 ILE 5 -25.880 -2.127 -0.405 32 2HG2 ILE 5 2HG2 ILE 5 -24.949 -0.611 -0.347 33 3HG2 ILE 5 3HG2 ILE 5 -24.306 -2.017 -1.230 34 1HD1 ILE 5 1HD1 ILE 5 -24.002 -5.621 0.600 35 2HD1 ILE 5 2HD1 ILE 5 -23.752 -4.358 -0.631 36 3HD1 ILE 5 3HD1 ILE 5 -22.621 -4.506 0.735 37 H GLN 6 H GLN 6 -22.346 -0.370 2.817 38 HA GLN 6 HA GLN 6 -22.504 2.033 1.492 39 2HB GLN 6 2HB GLN 6 -20.878 2.527 3.720 40 2HG GLN 6 2HG GLN 6 -23.784 2.149 4.262 41 1HE2 GLN 6 1HE2 GLN 6 -21.531 4.725 3.266 42 2HE2 GLN 6 2HE2 GLN 6 -21.595 5.651 4.728 43 H VAL 7 H VAL 7 -19.600 0.105 2.497 44 HA VAL 7 HA VAL 7 -17.762 1.955 1.404 45 HB VAL 7 HB VAL 7 -17.559 -0.944 2.226 46 1HG1 VAL 7 1HG1 VAL 7 -15.006 0.250 2.306 47 2HG1 VAL 7 2HG1 VAL 7 -15.572 -1.038 1.216 48 3HG1 VAL 7 3HG1 VAL 7 -15.691 0.666 0.717 49 1HG2 VAL 7 1HG2 VAL 7 -16.283 1.345 3.686 50 2HG2 VAL 7 2HG2 VAL 7 -18.030 1.065 3.876 51 3HG2 VAL 7 3HG2 VAL 7 -16.872 -0.217 4.302 52 H ARG 8 H ARG 8 -19.252 -1.128 0.244 53 HA ARG 8 HA ARG 8 -17.803 -1.314 -2.069 54 2HB ARG 8 2HB ARG 8 -19.975 -2.548 -2.903 55 2HG ARG 8 2HG ARG 8 -19.145 -3.670 -0.246 56 2HD ARG 8 2HD ARG 8 -18.431 -5.425 -2.281 57 HE ARG 8 HE ARG 8 -20.259 -5.469 -0.226 58 1HH1 ARG 8 2HH2 ARG 8 -20.486 -6.389 -3.641 59 2HH1 ARG 8 1HH2 ARG 8 -21.691 -7.603 -3.361 60 2HH2 ARG 8 1HH ARG 8 -22.475 -7.987 -1.130 61 H ASP 9 H ASP 9 -21.029 0.245 -1.456 62 HA ASP 9 HA ASP 9 -21.538 1.031 -4.014 63 2HB ASP 9 2HB ASP 9 -22.153 2.725 -1.557 64 HD2 ASP 9 HD ASP 9 -23.156 4.403 -2.326 65 H LEU 10 H LEU 10 -19.876 2.811 -1.305 66 HA LEU 10 HA LEU 10 -19.321 5.127 -2.752 67 2HB LEU 10 2HB LEU 10 -17.297 4.828 -0.859 68 HG LEU 10 HG LEU 10 -18.577 6.269 0.591 69 1HD1 LEU 10 1HD1 LEU 10 -17.846 7.817 -0.837 70 2HD1 LEU 10 2HD1 LEU 10 -18.232 6.815 -2.257 71 3HD1 LEU 10 3HD1 LEU 10 -19.495 7.821 -1.508 72 1HD2 LEU 10 1HD2 LEU 10 -20.774 4.868 -0.125 73 2HD2 LEU 10 2HD2 LEU 10 -20.821 6.461 0.669 74 3HD2 LEU 10 3HD2 LEU 10 -21.007 6.341 -1.097 75 H LEU 11 H LEU 11 -17.312 2.171 -2.131 76 HA LEU 11 HA LEU 11 -15.083 3.004 -3.534 77 2HB LEU 11 2HB LEU 11 -14.996 0.350 -3.897 78 HG LEU 11 HG LEU 11 -14.759 1.455 -1.093 79 1HD1 LEU 11 1HD1 LEU 11 -12.688 -0.243 -1.408 80 2HD1 LEU 11 2HD1 LEU 11 -14.284 -0.728 -0.787 81 3HD1 LEU 11 3HD1 LEU 11 -13.875 -0.998 -2.497 82 1HD2 LEU 11 1HD2 LEU 11 -12.302 1.831 -1.832 83 2HD2 LEU 11 2HD2 LEU 11 -12.979 1.889 -3.478 84 3HD2 LEU 11 3HD2 LEU 11 -13.531 3.049 -2.247 85 H ALA 12 H ALA 12 -18.263 2.011 -4.650 86 HA ALA 12 HA ALA 12 -17.306 1.506 -7.336 87 1HB ALA 12 1HB ALA 12 -19.639 0.892 -5.726 88 2HB ALA 12 2HB ALA 12 -20.131 1.646 -7.260 89 3HB ALA 12 3HB ALA 12 -19.120 0.182 -7.274 90 H LEU 13 H LEU 13 -19.666 3.772 -5.739 91 HA LEU 13 HA LEU 13 -19.952 5.423 -7.953 92 2HB LEU 13 2HB LEU 13 -20.552 7.113 -6.030 93 HG LEU 13 HG LEU 13 -22.329 6.150 -7.328 94 1HD1 LEU 13 1HD1 LEU 13 -21.415 3.823 -7.335 95 2HD1 LEU 13 2HD1 LEU 13 -22.084 3.610 -5.700 96 3HD1 LEU 13 3HD1 LEU 13 -23.172 3.925 -7.073 97 1HD2 LEU 13 1HD2 LEU 13 -23.432 5.284 -4.768 98 2HD2 LEU 13 2HD2 LEU 13 -22.540 6.821 -4.652 99 3HD2 LEU 13 3HD2 LEU 13 -23.881 6.655 -5.810 100 H ARG 14 H ARG 14 -17.927 5.963 -4.978 101 HA ARG 14 HA ARG 14 -16.624 8.128 -6.199 102 2HB ARG 14 2HB ARG 14 -14.985 7.683 -4.158 103 2HG ARG 14 2HG ARG 14 -16.448 9.505 -3.862 104 2HD ARG 14 2HD ARG 14 -18.732 7.486 -4.071 105 HE ARG 14 HE ARG 14 -18.909 9.724 -2.538 106 1HH1 ARG 14 2HH2 ARG 14 -20.168 9.061 -5.783 107 2HH1 ARG 14 1HH2 ARG 14 -21.517 10.134 -5.612 108 2HH2 ARG 14 1HH ARG 14 -21.804 11.345 -3.564 109 H GLY 15 H GLY 15 -16.401 4.774 -6.663 110 1HA GLY 15 1HA GLY 15 -14.948 3.465 -7.770 111 2HA GLY 15 2HA GLY 15 -14.183 4.920 -8.374 112 H ARG 16 H ARG 16 -12.005 4.433 -8.120 113 HA ARG 16 HA ARG 16 -11.047 3.057 -5.901 114 2HB ARG 16 2HB ARG 16 -9.727 3.014 -7.912 115 2HG ARG 16 2HG ARG 16 -10.309 5.930 -7.909 116 2HD ARG 16 2HD ARG 16 -7.527 4.905 -8.174 117 HE ARG 16 HE ARG 16 -7.422 5.449 -10.442 118 1HH1 ARG 16 2HH2 ARG 16 -9.592 7.747 -8.841 119 2HH1 ARG 16 1HH2 ARG 16 -9.799 8.728 -10.255 120 2HH2 ARG 16 1HH ARG 16 -8.674 8.117 -12.281 121 H MET 17 H MET 17 -10.665 3.798 -3.832 122 HA MET 17 HA MET 17 -9.652 6.415 -3.436 123 2HB MET 17 2HB MET 17 -12.395 5.721 -2.249 124 2HG MET 17 2HG MET 17 -10.452 7.674 -1.529 125 1HE MET 17 1HE MET 17 -9.540 9.208 -3.091 126 2HE MET 17 2HE MET 17 -10.318 10.764 -3.466 127 3HE MET 17 3HE MET 17 -10.059 10.285 -1.773 128 H GLU 18 H GLU 18 -8.791 6.703 -1.282 129 HA GLU 18 HA GLU 18 -7.980 4.320 -0.113 130 2HB GLU 18 2HB GLU 18 -7.962 7.093 1.154 131 2HG GLU 18 2HG GLU 18 -7.295 5.041 2.555 132 HE2 GLU 18 HE GLU 18 -3.833 4.007 1.279 133 H ALA 19 H ALA 19 -8.418 3.513 2.100 134 HA ALA 19 HA ALA 19 -11.171 3.335 2.600 135 1HB ALA 19 1HB ALA 19 -9.457 1.608 3.150 136 2HB ALA 19 2HB ALA 19 -8.816 2.680 4.417 137 3HB ALA 19 3HB ALA 19 -10.470 2.036 4.550 138 H ALA 20 H ALA 20 -8.506 5.276 4.067 139 HA ALA 20 HA ALA 20 -9.717 6.291 6.255 140 1HB ALA 20 1HB ALA 20 -8.289 8.283 5.895 141 2HB ALA 20 2HB ALA 20 -7.410 6.774 5.549 142 3HB ALA 20 3HB ALA 20 -8.016 7.776 4.209 143 H GLN 21 H GLN 21 -10.287 7.182 2.818 144 HA GLN 21 HA GLN 21 -12.004 9.317 3.525 145 2HB GLN 21 2HB GLN 21 -12.621 8.787 0.909 146 2HG GLN 21 2HG GLN 21 -10.179 10.073 0.649 147 1HE2 GLN 21 1HE2 GLN 21 -13.262 10.544 2.362 148 2HE2 GLN 21 2HE2 GLN 21 -13.830 11.890 1.431 149 H ILE 22 H ILE 22 -12.472 5.970 2.199 150 HA ILE 22 HA ILE 22 -15.228 6.045 2.049 151 HB ILE 22 HB ILE 22 -13.227 3.839 2.438 152 2HG1 ILE 22 2HG1 ILE 22 -14.078 5.333 0.223 153 1HG2 ILE 22 1HG2 ILE 22 -15.123 2.263 1.896 154 2HG2 ILE 22 2HG2 ILE 22 -15.136 2.957 3.536 155 3HG2 ILE 22 3HG2 ILE 22 -16.237 3.595 2.290 156 1HD1 ILE 22 1HD1 ILE 22 -12.892 2.575 -0.074 157 2HD1 ILE 22 2HD1 ILE 22 -12.447 4.089 -0.896 158 3HD1 ILE 22 3HD1 ILE 22 -11.962 3.820 0.795 159 H SER 23 H SER 23 -13.119 4.903 4.775 160 HA SER 23 HA SER 23 -15.140 4.233 6.472 161 2HB SER 23 2HB SER 23 -12.572 3.940 6.703 162 HG SER 23 HG SER 23 -12.902 6.442 8.128 163 H GLN 24 H GLN 24 -13.546 7.431 5.923 164 HA GLN 24 HA GLN 24 -14.715 8.800 7.974 165 2HB GLN 24 2HB GLN 24 -14.576 10.631 5.835 166 2HG GLN 24 2HG GLN 24 -11.983 10.439 6.948 167 1HE2 GLN 24 1HE2 GLN 24 -13.135 11.532 9.581 168 2HE2 GLN 24 2HE2 GLN 24 -13.634 13.147 9.204 169 H THR 25 H THR 25 -15.952 8.135 4.645 170 HA THR 25 HA THR 25 -18.165 9.711 4.581 171 HB THR 25 HB THR 25 -17.928 6.797 3.666 172 HG1 THR 25 1HG THR 25 -17.254 9.393 2.470 173 1HG2 THR 25 1HG2 THR 25 -20.192 8.139 3.421 174 2HG2 THR 25 2HG2 THR 25 -19.292 9.101 2.223 175 3HG2 THR 25 3HG2 THR 25 -19.512 7.352 1.977 176 H LEU 26 H LEU 26 -17.699 6.703 6.461 177 HA LEU 26 HA LEU 26 -20.367 7.183 7.596 178 2HB LEU 26 2HB LEU 26 -20.733 5.116 6.863 179 HG LEU 26 HG LEU 26 -17.756 4.797 6.678 180 1HD1 LEU 26 1HD1 LEU 26 -17.751 2.646 7.210 181 2HD1 LEU 26 2HD1 LEU 26 -19.489 2.714 7.586 182 3HD1 LEU 26 3HD1 LEU 26 -18.951 2.328 5.935 183 1HD2 LEU 26 1HD2 LEU 26 -18.117 4.471 4.415 184 2HD2 LEU 26 2HD2 LEU 26 -19.802 3.946 4.649 185 3HD2 LEU 26 3HD2 LEU 26 -19.372 5.662 4.836 186 H ASN 27 H ASN 27 -18.002 8.670 8.351 187 HA ASN 27 HA ASN 27 -16.676 9.108 10.040 188 2HB ASN 27 2HB ASN 27 -18.831 8.094 11.924 189 1HD2 ASN 27 1HD2 ASN 27 -19.494 10.271 13.153 190 2HD2 ASN 27 2HD2 ASN 27 -18.155 11.137 13.830 191 H THR 28 H THR 28 -16.488 6.295 9.046 192 HA THR 28 HA THR 28 -16.180 4.658 11.411 193 HB THR 28 HB THR 28 -15.746 4.228 8.411 194 HG1 THR 28 1HG THR 28 -17.653 3.390 10.481 195 1HG2 THR 28 1HG2 THR 28 -15.950 2.063 10.543 196 2HG2 THR 28 2HG2 THR 28 -15.419 1.902 8.852 197 3HG2 THR 28 3HG2 THR 28 -14.365 2.700 10.045 198 HA PRO 29 HA PRO 29 -12.016 5.506 12.026 199 2HB PRO 29 2HB PRO 29 -12.123 4.754 14.200 200 2HG PRO 29 2HG PRO 29 -13.881 3.329 14.641 201 2HD PRO 29 2HD PRO 29 -15.341 3.955 12.978 202 H GLN 30 H GLN 30 -10.097 5.376 10.985 203 HA GLN 30 HA GLN 30 -9.906 4.055 8.704 204 2HB GLN 30 2HB GLN 30 -7.334 3.968 10.147 205 2HG GLN 30 2HG GLN 30 -6.965 5.866 8.349 206 1HE2 GLN 30 1HE2 GLN 30 -8.409 3.971 6.144 207 2HE2 GLN 30 2HE2 GLN 30 -7.220 2.734 5.901 208 HA PRO 31 HA PRO 31 -8.212 0.193 10.876 209 2HB PRO 31 2HB PRO 31 -6.868 0.531 12.715 210 2HG PRO 31 2HG PRO 31 -7.159 2.569 13.757 211 2HD PRO 31 2HD PRO 31 -8.005 3.803 12.013 212 H MET 32 H MET 32 -10.617 0.521 9.841 213 HA MET 32 HA MET 32 -12.050 -1.476 11.334 214 2HB MET 32 2HB MET 32 -13.698 0.866 10.382 215 2HG MET 32 2HG MET 32 -14.615 0.312 12.849 216 1HE MET 32 1HE MET 32 -16.526 -3.088 11.374 217 2HE MET 32 2HE MET 32 -14.915 -3.166 10.621 218 3HE MET 32 3HE MET 32 -15.069 -2.840 12.365 219 H ILE 33 H ILE 33 -11.907 0.732 8.478 220 HA ILE 33 HA ILE 33 -13.589 -0.973 6.918 221 HB ILE 33 HB ILE 33 -11.896 1.437 6.272 222 2HG1 ILE 33 2HG1 ILE 33 -14.034 2.599 6.123 223 1HG2 ILE 33 1HG2 ILE 33 -13.929 0.788 4.305 224 2HG2 ILE 33 2HG2 ILE 33 -12.201 1.154 4.088 225 3HG2 ILE 33 3HG2 ILE 33 -12.719 -0.509 4.453 226 1HD1 ILE 33 1HD1 ILE 33 -15.585 0.479 7.473 227 2HD1 ILE 33 2HD1 ILE 33 -16.061 1.561 6.144 228 3HD1 ILE 33 3HD1 ILE 33 -15.151 0.073 5.795 229 H ASN 34 H ASN 34 -10.107 -0.552 7.525 230 HA ASN 34 HA ASN 34 -9.113 -1.812 5.328 231 2HB ASN 34 2HB ASN 34 -7.293 -2.617 7.122 232 1HD2 ASN 34 1HD2 ASN 34 -7.630 0.414 8.376 233 2HD2 ASN 34 2HD2 ASN 34 -6.780 1.360 7.199 234 H ALA 35 H ALA 35 -10.447 -3.117 8.418 235 HA ALA 35 HA ALA 35 -9.708 -5.785 8.041 236 1HB ALA 35 1HB ALA 35 -11.255 -4.177 9.868 237 2HB ALA 35 2HB ALA 35 -12.173 -5.647 9.463 238 3HB ALA 35 3HB ALA 35 -10.528 -5.780 10.130 239 H MET 36 H MET 36 -12.689 -3.936 7.140 240 HA MET 36 HA MET 36 -14.006 -6.147 6.087 241 2HB MET 36 2HB MET 36 -15.568 -4.492 5.230 242 2HG MET 36 2HG MET 36 -14.702 -2.595 7.259 243 1HE MET 36 1HE MET 36 -17.789 -1.958 8.572 244 2HE MET 36 2HE MET 36 -16.269 -1.474 7.781 245 3HE MET 36 3HE MET 36 -17.749 -1.683 6.814 246 H LEU 37 H LEU 37 -11.843 -3.661 4.615 247 HA LEU 37 HA LEU 37 -12.223 -4.415 1.963 248 2HB LEU 37 2HB LEU 37 -9.950 -3.345 1.665 249 HG LEU 37 HG LEU 37 -12.173 -1.875 3.077 250 1HD1 LEU 37 1HD1 LEU 37 -9.411 -1.029 2.857 251 2HD1 LEU 37 2HD1 LEU 37 -10.493 0.061 1.959 252 3HD1 LEU 37 3HD1 LEU 37 -10.782 -0.254 3.688 253 1HD2 LEU 37 1HD2 LEU 37 -11.162 -1.321 0.308 254 2HD2 LEU 37 2HD2 LEU 37 -12.209 -2.728 0.607 255 3HD2 LEU 37 3HD2 LEU 37 -12.785 -1.090 0.999 256 H GLN 38 H GLN 38 -9.900 -5.571 4.477 257 HA GLN 38 HA GLN 38 -8.405 -7.185 2.869 258 2HB GLN 38 2HB GLN 38 -8.937 -8.396 5.495 259 2HG GLN 38 2HG GLN 38 -6.486 -6.834 4.604 260 1HE2 GLN 38 1HE2 GLN 38 -5.323 -6.715 6.362 261 2HE2 GLN 38 2HE2 GLN 38 -5.073 -7.957 7.543 262 H GLN 39 H GLN 39 -11.561 -7.842 4.487 263 HA GLN 39 HA GLN 39 -11.688 -10.526 3.954 264 2HB GLN 39 2HB GLN 39 -14.258 -9.053 3.715 265 2HG GLN 39 2HG GLN 39 -13.058 -11.262 5.414 266 1HE2 GLN 39 1HE2 GLN 39 -16.407 -11.100 5.068 267 2HE2 GLN 39 2HE2 GLN 39 -16.850 -10.578 6.659 268 H LEU 40 H LEU 40 -12.816 -7.715 1.961 269 HA LEU 40 HA LEU 40 -13.886 -9.242 -0.111 270 2HB LEU 40 2HB LEU 40 -13.846 -7.200 -1.380 271 HG LEU 40 HG LEU 40 -14.545 -6.907 1.521 272 1HD1 LEU 40 1HD1 LEU 40 -14.997 -4.657 1.449 273 2HD1 LEU 40 2HD1 LEU 40 -13.513 -4.730 0.470 274 3HD1 LEU 40 3HD1 LEU 40 -15.101 -4.617 -0.327 275 1HD2 LEU 40 1HD2 LEU 40 -16.755 -6.245 0.132 276 2HD2 LEU 40 2HD2 LEU 40 -15.951 -7.294 -1.061 277 3HD2 LEU 40 3HD2 LEU 40 -16.324 -7.917 0.564 278 H GLU 41 H GLU 41 -10.566 -8.001 0.522 279 HA GLU 41 HA GLU 41 -9.532 -8.696 -1.946 280 2HB GLU 41 2HB GLU 41 -8.176 -8.504 0.780 281 2HG GLU 41 2HG GLU 41 -6.561 -7.840 -1.573 282 HE2 GLU 41 HE GLU 41 -5.419 -10.674 -0.829 283 H SER 42 H SER 42 -9.620 -10.506 1.197 284 HA SER 42 HA SER 42 -8.205 -12.689 0.394 285 2HB SER 42 2HB SER 42 -10.630 -13.051 2.153 286 HG SER 42 HG SER 42 -7.956 -14.021 1.986 287 H MET 43 H MET 43 -11.753 -12.014 0.102 288 HA MET 43 HA MET 43 -12.313 -14.503 -1.069 289 2HB MET 43 2HB MET 43 -14.481 -13.196 -1.742 290 2HG MET 43 2HG MET 43 -14.085 -12.686 1.170 291 1HE MET 43 1HE MET 43 -16.331 -15.587 -1.228 292 2HE MET 43 2HE MET 43 -14.917 -15.850 -0.180 293 3HE MET 43 3HE MET 43 -16.558 -16.109 0.458 294 H GLY 44 H GLY 44 -11.726 -11.183 -2.375 295 1HA GLY 44 1HA GLY 44 -10.504 -10.960 -4.415 296 2HA GLY 44 2HA GLY 44 -11.266 -12.418 -5.018 297 H LYS 45 H LYS 45 -12.654 -9.511 -3.336 298 HA LYS 45 HA LYS 45 -14.540 -9.304 -5.567 299 2HB LYS 45 2HB LYS 45 -16.099 -8.433 -4.084 300 2HG LYS 45 2HG LYS 45 -15.925 -9.823 -1.958 301 2HD LYS 45 2HD LYS 45 -15.131 -11.606 -4.258 302 2HE LYS 45 2HE LYS 45 -17.750 -11.953 -2.951 303 1HZ LYS 45 1HZ LYS 45 -16.908 -14.178 -2.769 304 2HZ LYS 45 2HZ LYS 45 -16.433 -13.640 -4.231 305 H ALA 46 H ALA 46 -12.599 -7.224 -3.302 306 HA ALA 46 HA ALA 46 -12.683 -5.118 -5.314 307 1HB ALA 46 1HB ALA 46 -11.191 -4.488 -2.909 308 2HB ALA 46 2HB ALA 46 -12.700 -3.766 -3.518 309 3HB ALA 46 3HB ALA 46 -12.761 -5.214 -2.484 310 H VAL 47 H VAL 47 -10.447 -3.828 -5.395 311 HA VAL 47 HA VAL 47 -8.252 -5.758 -5.489 312 HB VAL 47 HB VAL 47 -7.602 -4.971 -7.687 313 1HG1 VAL 47 1HG1 VAL 47 -8.812 -6.644 -8.530 314 2HG1 VAL 47 2HG1 VAL 47 -9.873 -6.576 -7.102 315 3HG1 VAL 47 3HG1 VAL 47 -10.265 -5.617 -8.548 316 1HG2 VAL 47 1HG2 VAL 47 -8.963 -2.709 -7.218 317 2HG2 VAL 47 2HG2 VAL 47 -8.573 -3.273 -8.860 318 3HG2 VAL 47 3HG2 VAL 47 -10.189 -3.572 -8.177 319 H ARG 48 H ARG 48 -6.104 -4.689 -5.506 320 HA ARG 48 HA ARG 48 -6.241 -2.389 -3.826 321 2HB ARG 48 2HB ARG 48 -3.545 -2.806 -4.288 322 2HG ARG 48 2HG ARG 48 -4.082 -4.730 -2.372 323 2HD ARG 48 2HD ARG 48 -4.289 -2.493 -0.851 324 HE ARG 48 HE ARG 48 -1.655 -2.816 -2.131 325 1HH1 ARG 48 2HH2 ARG 48 -3.918 -4.083 0.281 326 2HH1 ARG 48 1HH2 ARG 48 -2.692 -4.920 1.174 327 2HH2 ARG 48 1HH ARG 48 -0.417 -4.809 0.428 328 H ILE 49 H ILE 49 -5.496 -0.275 -4.354 329 HA ILE 49 HA ILE 49 -4.789 0.091 -7.183 330 HB ILE 49 HB ILE 49 -6.463 1.818 -5.360 331 2HG1 ILE 49 2HG1 ILE 49 -8.256 1.387 -6.903 332 1HG2 ILE 49 1HG2 ILE 49 -5.226 3.401 -6.540 333 2HG2 ILE 49 2HG2 ILE 49 -5.185 2.414 -8.022 334 3HG2 ILE 49 3HG2 ILE 49 -6.699 3.207 -7.521 335 1HD1 ILE 49 1HD1 ILE 49 -6.919 -0.735 -8.446 336 2HD1 ILE 49 2HD1 ILE 49 -7.980 0.579 -9.011 337 3HD1 ILE 49 3HD1 ILE 49 -6.241 0.878 -8.774 338 H GLN 50 H GLN 50 -3.242 1.794 -7.655 339 HA GLN 50 HA GLN 50 -1.603 2.374 -5.310 340 2HB GLN 50 2HB GLN 50 -0.811 1.772 -8.185 341 2HG GLN 50 2HG GLN 50 0.728 3.135 -5.957 342 1HE2 GLN 50 1HE2 GLN 50 2.947 3.580 -7.655 343 2HE2 GLN 50 2HE2 GLN 50 3.885 2.127 -7.751 344 H GLU 51 H GLU 51 -0.497 4.480 -5.281 345 HA GLU 51 HA GLU 51 -1.993 6.412 -6.865 346 2HB GLU 51 2HB GLU 51 -0.706 7.853 -4.860 347 2HG GLU 51 2HG GLU 51 -3.322 6.711 -4.058 348 HE2 GLU 51 HE GLU 51 -3.498 9.281 -2.450 349 H GLU 52 H GLU 52 -0.630 8.562 -7.217 350 HA GLU 52 HA GLU 52 1.253 8.134 -9.019 351 2HB GLU 52 2HB GLU 52 2.238 10.448 -7.951 352 2HG GLU 52 2HG GLU 52 -0.348 11.106 -9.017 353 HE2 GLU 52 HE GLU 52 0.924 10.540 -11.678 354 HA PRO 53 HA PRO 53 4.544 6.396 -6.689 355 2HB PRO 53 2HB PRO 53 4.813 4.657 -8.174 356 2HG PRO 53 2HG PRO 53 3.785 4.966 -10.216 357 2HD PRO 53 2HD PRO 53 2.148 6.469 -9.625 358 H ASP 54 H ASP 54 7.226 6.451 -7.428 359 HA ASP 54 HA ASP 54 7.611 9.337 -7.268 360 2HB ASP 54 2HB ASP 54 8.372 8.345 -5.219 361 HD2 ASP 54 HD ASP 54 9.980 5.445 -4.608 362 H GLY 55 H GLY 55 9.462 10.208 -8.501 363 1HA GLY 55 1HA GLY 55 10.752 8.328 -10.364 364 2HA GLY 55 2HA GLY 55 9.888 9.718 -10.993 365 H CYS 56 H CYS 56 12.817 9.035 -11.103 366 HA CYS 56 HA CYS 56 13.827 11.572 -10.760 367 2HB CYS 56 2HB CYS 56 15.466 10.528 -8.768 368 HG CYS 56 HG CYS 56 14.249 12.203 -7.035 369 H LEU 57 H LEU 57 16.247 11.557 -11.217 370 HA LEU 57 HA LEU 57 16.833 9.323 -12.944 371 2HB LEU 57 2HB LEU 57 18.887 11.377 -12.598 372 HG LEU 57 HG LEU 57 18.668 11.669 -15.002 373 1HD1 LEU 57 1HD1 LEU 57 18.861 9.037 -15.557 374 2HD1 LEU 57 2HD1 LEU 57 20.158 9.987 -14.793 375 3HD1 LEU 57 3HD1 LEU 57 19.072 8.997 -13.790 376 1HD2 LEU 57 1HD2 LEU 57 16.060 10.444 -14.560 377 2HD2 LEU 57 2HD2 LEU 57 16.649 11.442 -15.912 378 3HD2 LEU 57 3HD2 LEU 57 16.951 9.688 -15.903 379 H SER 58 H SER 58 17.872 7.529 -12.280 380 HA SER 58 HA SER 58 19.303 7.716 -9.772 381 2HB SER 58 2HB SER 58 19.380 5.086 -10.274 382 HG SER 58 HG SER 58 17.939 6.524 -8.722 383 H GLY 59 H GLY 59 21.529 7.110 -9.567 384 1HA GLY 59 1HA GLY 59 23.188 5.849 -11.252 385 2HA GLY 59 2HA GLY 59 23.064 7.425 -12.008 386 H SER 60 H SER 60 23.454 6.034 -8.665 387 HA SER 60 HA SER 60 25.303 8.224 -8.158 388 2HB SER 60 2HB SER 60 24.679 6.728 -5.770 389 HG SER 60 HG SER 60 25.128 9.125 -6.152 390 H CYS 61 H CYS 61 27.473 7.755 -7.993 391 HA CYS 61 HA CYS 61 28.453 5.253 -8.577 392 2HB CYS 61 2HB CYS 61 30.588 6.315 -7.360 393 HG CYS 61 HG CYS 61 29.040 7.447 -10.064 394 H LYS 62 H LYS 62 28.539 6.991 -5.369 395 HA LYS 62 HA LYS 62 28.084 4.409 -4.081 396 2HB LYS 62 2HB LYS 62 30.334 6.320 -3.387 397 2HG LYS 62 2HG LYS 62 29.005 5.062 -1.478 398 2HD LYS 62 2HD LYS 62 30.825 2.808 -2.414 399 2HE LYS 62 2HE LYS 62 28.378 2.605 -0.634 400 1HZ LYS 62 1HZ LYS 62 29.374 0.545 -1.256 401 2HZ LYS 62 2HZ LYS 62 30.890 1.066 -0.973 402 H SER 63 H SER 63 26.268 4.610 -2.898 403 HA SER 63 HA SER 63 26.024 6.738 -1.077 404 2HB SER 63 2HB SER 63 23.592 6.890 -2.685 405 HG SER 63 HG SER 63 24.872 9.204 -2.792 406 H CYS 64 H CYS 64 24.502 6.197 0.565 407 HA CYS 64 HA CYS 64 23.827 3.508 0.748 408 2HB CYS 64 2HB CYS 64 24.176 4.992 2.695 409 HG CYS 64 HG CYS 64 23.155 7.076 3.150 410 HA PRO 65 HA PRO 65 20.031 3.450 -1.388 411 2HB PRO 65 2HB PRO 65 20.052 1.151 -1.526 412 2HG PRO 65 2HG PRO 65 21.350 0.104 0.065 413 2HD PRO 65 2HD PRO 65 22.821 1.796 0.572 414 H GLU 66 H GLU 66 17.482 2.633 -0.624 415 HA GLU 66 HA GLU 66 16.970 4.569 1.494 416 2HB GLU 66 2HB GLU 66 15.049 5.433 0.306 417 2HG GLU 66 2HG GLU 66 16.537 5.457 -2.155 418 HE2 GLU 66 HE GLU 66 18.132 7.617 -0.402 419 H GLY 67 H GLY 67 13.989 3.992 1.074 420 1HA GLY 67 1HA GLY 67 13.440 1.273 1.365 421 2HA GLY 67 2HA GLY 67 13.750 1.915 2.966 422 H LYS 68 H LYS 68 12.332 3.500 3.897 423 HA LYS 68 HA LYS 68 10.322 4.313 4.336 424 2HB LYS 68 2HB LYS 68 9.292 5.706 2.541 425 2HG LYS 68 2HG LYS 68 11.536 7.019 2.075 426 2HD LYS 68 2HD LYS 68 11.613 7.755 4.496 427 2HE LYS 68 2HE LYS 68 8.705 7.578 4.162 428 1HZ LYS 68 1HZ LYS 68 9.587 9.484 5.181 429 2HZ LYS 68 2HZ LYS 68 10.764 9.694 4.075 430 H ALA 69 H ALA 69 7.845 4.307 3.543 431 HA ALA 69 HA ALA 69 7.290 1.492 3.086 432 1HB ALA 69 1HB ALA 69 5.381 1.867 4.284 433 2HB ALA 69 2HB ALA 69 6.289 3.284 4.862 434 3HB ALA 69 3HB ALA 69 5.103 3.463 3.547 435 H CYS 70 H CYS 70 5.252 1.053 1.662 436 HA CYS 70 HA CYS 70 5.881 2.044 -0.915 437 2HB CYS 70 2HB CYS 70 5.132 -0.264 -0.577 438 HG CYS 70 HG CYS 70 2.106 -0.057 -0.564 439 H LEU 71 H LEU 71 4.287 3.183 -2.346 440 HA LEU 71 HA LEU 71 3.327 5.497 -1.221 441 2HB LEU 71 2HB LEU 71 1.841 5.399 -3.412 442 HG LEU 71 HG LEU 71 3.711 6.086 -4.814 443 1HD1 LEU 71 1HD1 LEU 71 3.033 7.252 -2.266 444 2HD1 LEU 71 2HD1 LEU 71 4.728 7.606 -2.675 445 3HD1 LEU 71 3HD1 LEU 71 3.429 8.044 -3.810 446 1HD2 LEU 71 1HD2 LEU 71 5.419 4.982 -2.578 447 2HD2 LEU 71 2HD2 LEU 71 5.419 4.531 -4.299 448 3HD2 LEU 71 3HD2 LEU 71 6.030 6.126 -3.797 449 H ARG 72 H ARG 72 1.020 6.270 -1.083 450 HA ARG 72 HA ARG 72 -0.350 4.588 0.650 451 2HB ARG 72 2HB ARG 72 -2.249 6.451 -0.118 452 2HG ARG 72 2HG ARG 72 -0.438 7.874 1.552 453 2HD ARG 72 2HD ARG 72 -2.186 6.157 3.097 454 HE ARG 72 HE ARG 72 -2.352 8.326 3.928 455 1HH1 ARG 72 2HH2 ARG 72 -2.600 8.480 0.397 456 2HH1 ARG 72 1HH2 ARG 72 -2.893 10.187 0.367 457 2HH2 ARG 72 1HH ARG 72 -2.971 11.400 2.433 458 H GLU 73 H GLU 73 -0.867 2.583 -0.387 459 HA GLU 73 HA GLU 73 -1.990 2.447 -2.920 460 2HB GLU 73 2HB GLU 73 -2.542 0.095 -2.290 461 2HG GLU 73 2HG GLU 73 0.161 1.173 -1.369 462 HE2 GLU 73 HE GLU 73 0.310 -0.295 0.308 463 H TRP 74 H TRP 74 -4.105 2.521 -3.676 464 HA TRP 74 HA TRP 74 -6.098 3.309 -1.690 465 2HB TRP 74 2HB TRP 74 -7.379 3.821 -3.902 466 HD1 TRP 74 HD TRP 74 -5.533 5.190 -1.209 467 HE1 TRP 74 1HE TRP 74 -5.184 7.806 -1.250 468 HE3 TRP 74 3HE TRP 74 -6.640 5.788 -6.136 469 HZ2 TRP 74 2HZ TRP 74 -5.405 9.786 -3.292 470 HZ3 TRP 74 3HZ TRP 74 -6.549 8.097 -7.074 471 HH2 TRP 74 HH TRP 74 -5.959 10.055 -5.738 472 H TRP 75 H TRP 75 -8.430 2.448 -2.346 473 HA TRP 75 HA TRP 75 -8.155 -0.386 -3.085 474 2HB TRP 75 2HB TRP 75 -10.020 -0.812 -1.469 475 HD1 TRP 75 HD TRP 75 -7.686 1.298 0.709 476 HE1 TRP 75 1HE TRP 75 -5.937 -0.202 1.998 477 HE3 TRP 75 3HE TRP 75 -8.767 -3.011 -1.764 478 HZ2 TRP 75 2HZ TRP 75 -5.218 -2.959 1.841 479 HZ3 TRP 75 3HZ TRP 75 -7.496 -5.062 -1.135 480 HH2 TRP 75 HH TRP 75 -5.774 -5.081 0.599 481 H ALA 76 H ALA 76 -9.929 -1.229 -4.336 482 HA ALA 76 HA ALA 76 -12.109 0.523 -4.996 483 1HB ALA 76 1HB ALA 76 -11.612 0.707 -7.355 484 2HB ALA 76 2HB ALA 76 -10.202 1.307 -6.451 485 3HB ALA 76 3HB ALA 76 -10.166 -0.316 -7.182 486 H LEU 77 H LEU 77 -13.369 -0.705 -6.960 487 HA LEU 77 HA LEU 77 -13.652 -3.417 -5.949 488 2HB LEU 77 2HB LEU 77 -15.796 -3.406 -6.923 489 HG LEU 77 HG LEU 77 -15.229 -0.647 -5.818 490 1HD1 LEU 77 1HD1 LEU 77 -17.172 -0.645 -7.397 491 2HD1 LEU 77 2HD1 LEU 77 -17.964 -1.835 -6.337 492 3HD1 LEU 77 3HD1 LEU 77 -17.576 -0.212 -5.718 493 1HD2 LEU 77 1HD2 LEU 77 -16.844 -2.799 -4.479 494 2HD2 LEU 77 2HD2 LEU 77 -15.065 -2.824 -4.406 495 3HD2 LEU 77 3HD2 LEU 77 -15.962 -1.426 -3.766 496 H ARG 78 H ARG 78 -14.185 -5.142 -7.689 497 HA ARG 78 HA ARG 78 -11.965 -5.095 -9.471 498 2HB ARG 78 2HB ARG 78 -14.150 -7.193 -9.029 499 2HG ARG 78 2HG ARG 78 -12.847 -7.312 -11.244 500 2HD ARG 78 2HD ARG 78 -10.576 -7.897 -9.282 501 HE ARG 78 HE ARG 78 -10.940 -9.131 -11.739 502 1HH1 ARG 78 2HH2 ARG 78 -8.579 -6.802 -10.490 503 2HH1 ARG 78 1HH2 ARG 78 -7.308 -7.344 -11.536 504 2HH2 ARG 78 1HH ARG 78 -7.733 -9.133 -13.072 Start of MODEL 11 1 1H MET 1 H MET 1 -24.468 5.756 10.033 2 HA MET 1 HA MET 1 -25.538 3.165 10.400 3 2HB MET 1 2HB MET 1 -26.012 3.718 7.591 4 2HG MET 1 2HG MET 1 -27.168 2.184 9.570 5 1HE MET 1 1HE MET 1 -30.024 3.268 7.656 6 2HE MET 1 2HE MET 1 -30.436 2.142 8.972 7 3HE MET 1 3HE MET 1 -31.162 3.767 8.931 8 H ALA 2 H ALA 2 -24.353 1.537 9.156 9 HA ALA 2 HA ALA 2 -22.354 2.365 7.305 10 1HB ALA 2 1HB ALA 2 -21.707 2.146 10.178 11 2HB ALA 2 2HB ALA 2 -20.663 1.160 9.125 12 3HB ALA 2 3HB ALA 2 -20.797 2.915 8.856 13 H SER 3 H SER 3 -21.638 0.595 6.082 14 HA SER 3 HA SER 3 -21.844 -2.024 7.023 15 2HB SER 3 2HB SER 3 -24.212 -1.909 6.782 16 HG SER 3 HG SER 3 -24.029 -0.979 4.074 17 H LEU 4 H LEU 4 -21.370 -3.628 5.154 18 HA LEU 4 HA LEU 4 -19.218 -2.685 3.679 19 2HB LEU 4 2HB LEU 4 -20.118 -4.960 2.372 20 HG LEU 4 HG LEU 4 -18.206 -4.481 4.616 21 1HD1 LEU 4 1HD1 LEU 4 -19.049 -7.259 3.748 22 2HD1 LEU 4 2HD1 LEU 4 -17.704 -6.856 4.844 23 3HD1 LEU 4 3HD1 LEU 4 -19.382 -6.510 5.328 24 1HD2 LEU 4 1HD2 LEU 4 -16.905 -5.975 2.781 25 2HD2 LEU 4 2HD2 LEU 4 -18.131 -5.204 1.747 26 3HD2 LEU 4 3HD2 LEU 4 -17.025 -4.201 2.717 27 H ILE 5 H ILE 5 -22.703 -2.959 2.907 28 HA ILE 5 HA ILE 5 -22.547 -2.595 0.175 29 HB ILE 5 HB ILE 5 -24.690 -1.508 1.996 30 2HG1 ILE 5 2HG1 ILE 5 -25.735 -3.820 1.574 31 1HG2 ILE 5 1HG2 ILE 5 -25.717 -0.977 0.104 32 2HG2 ILE 5 2HG2 ILE 5 -24.380 -1.658 -0.854 33 3HG2 ILE 5 3HG2 ILE 5 -25.732 -2.699 -0.345 34 1HD1 ILE 5 1HD1 ILE 5 -22.795 -4.574 1.291 35 2HD1 ILE 5 2HD1 ILE 5 -24.206 -5.657 1.228 36 3HD1 ILE 5 3HD1 ILE 5 -23.917 -4.496 -0.089 37 H GLN 6 H GLN 6 -22.492 -0.203 2.867 38 HA GLN 6 HA GLN 6 -22.682 2.045 1.293 39 2HB GLN 6 2HB GLN 6 -21.093 2.874 3.390 40 2HG GLN 6 2HG GLN 6 -23.845 2.296 4.267 41 1HE2 GLN 6 1HE2 GLN 6 -21.426 3.499 5.205 42 2HE2 GLN 6 2HE2 GLN 6 -21.718 5.187 5.466 43 H VAL 7 H VAL 7 -19.730 0.324 2.530 44 HA VAL 7 HA VAL 7 -17.927 2.023 1.199 45 HB VAL 7 HB VAL 7 -17.782 -0.703 2.456 46 1HG1 VAL 7 1HG1 VAL 7 -16.213 -0.739 0.570 47 2HG1 VAL 7 2HG1 VAL 7 -15.481 0.780 1.138 48 3HG1 VAL 7 3HG1 VAL 7 -15.348 -0.697 2.124 49 1HG2 VAL 7 1HG2 VAL 7 -17.300 2.074 3.271 50 2HG2 VAL 7 2HG2 VAL 7 -17.601 0.623 4.258 51 3HG2 VAL 7 3HG2 VAL 7 -15.957 0.978 3.676 52 H ARG 8 H ARG 8 -19.375 -1.193 0.386 53 HA ARG 8 HA ARG 8 -17.964 -1.634 -1.895 54 2HB ARG 8 2HB ARG 8 -20.199 -2.868 -2.604 55 2HG ARG 8 2HG ARG 8 -19.358 -3.814 0.107 56 2HD ARG 8 2HD ARG 8 -18.809 -5.363 -2.386 57 HE ARG 8 HE ARG 8 -19.490 -5.911 0.360 58 1HH1 ARG 8 2HH2 ARG 8 -19.954 -7.206 -2.905 59 2HH1 ARG 8 1HH2 ARG 8 -20.150 -8.839 -2.364 60 2HH2 ARG 8 1HH ARG 8 -20.026 -9.322 -0.020 61 H ASP 9 H ASP 9 -20.927 0.337 -1.337 62 HA ASP 9 HA ASP 9 -21.353 0.819 -4.078 63 2HB ASP 9 2HB ASP 9 -22.294 2.639 -1.838 64 HD2 ASP 9 HD ASP 9 -24.671 3.819 -3.882 65 H LEU 10 H LEU 10 -19.915 2.632 -1.280 66 HA LEU 10 HA LEU 10 -19.393 5.010 -2.599 67 2HB LEU 10 2HB LEU 10 -17.363 4.749 -0.757 68 HG LEU 10 HG LEU 10 -18.731 5.927 0.834 69 1HD1 LEU 10 1HD1 LEU 10 -18.088 6.871 -1.622 70 2HD1 LEU 10 2HD1 LEU 10 -19.847 7.149 -1.616 71 3HD1 LEU 10 3HD1 LEU 10 -18.831 7.849 -0.334 72 1HD2 LEU 10 1HD2 LEU 10 -21.051 4.940 -0.824 73 2HD2 LEU 10 2HD2 LEU 10 -20.750 4.731 0.918 74 3HD2 LEU 10 3HD2 LEU 10 -21.189 6.332 0.276 75 H LEU 11 H LEU 11 -17.307 2.076 -2.168 76 HA LEU 11 HA LEU 11 -15.112 3.056 -3.537 77 2HB LEU 11 2HB LEU 11 -14.985 0.409 -4.046 78 HG LEU 11 HG LEU 11 -14.531 1.731 -1.359 79 1HD1 LEU 11 1HD1 LEU 11 -14.760 -0.526 -0.791 80 2HD1 LEU 11 2HD1 LEU 11 -13.962 -1.083 -2.281 81 3HD1 LEU 11 3HD1 LEU 11 -13.007 -0.301 -0.997 82 1HD2 LEU 11 1HD2 LEU 11 -13.215 2.432 -3.467 83 2HD2 LEU 11 2HD2 LEU 11 -12.312 2.040 -1.985 84 3HD2 LEU 11 3HD2 LEU 11 -12.411 0.852 -3.307 85 H ALA 12 H ALA 12 -18.270 2.024 -4.679 86 HA ALA 12 HA ALA 12 -17.327 1.682 -7.394 87 1HB ALA 12 1HB ALA 12 -20.043 1.616 -7.540 88 2HB ALA 12 2HB ALA 12 -19.046 0.208 -7.102 89 3HB ALA 12 3HB ALA 12 -19.811 1.187 -5.828 90 H LEU 13 H LEU 13 -19.720 3.815 -5.666 91 HA LEU 13 HA LEU 13 -20.083 5.561 -7.785 92 2HB LEU 13 2HB LEU 13 -20.642 7.156 -5.764 93 HG LEU 13 HG LEU 13 -22.444 6.244 -7.066 94 1HD1 LEU 13 1HD1 LEU 13 -23.316 3.895 -6.380 95 2HD1 LEU 13 2HD1 LEU 13 -21.945 4.026 -7.508 96 3HD1 LEU 13 3HD1 LEU 13 -21.656 3.636 -5.795 97 1HD2 LEU 13 1HD2 LEU 13 -23.866 5.351 -4.903 98 2HD2 LEU 13 2HD2 LEU 13 -22.555 6.274 -4.130 99 3HD2 LEU 13 3HD2 LEU 13 -23.604 7.058 -5.335 100 H ARG 14 H ARG 14 -17.965 5.988 -4.857 101 HA ARG 14 HA ARG 14 -16.734 8.230 -6.022 102 2HB ARG 14 2HB ARG 14 -15.031 7.723 -4.046 103 2HG ARG 14 2HG ARG 14 -16.517 9.524 -3.672 104 2HD ARG 14 2HD ARG 14 -18.752 7.453 -3.850 105 HE ARG 14 HE ARG 14 -18.923 9.590 -2.175 106 1HH1 ARG 14 2HH2 ARG 14 -20.334 9.066 -5.383 107 2HH1 ARG 14 1HH2 ARG 14 -21.710 10.074 -5.077 108 2HH2 ARG 14 1HH ARG 14 -21.926 11.153 -2.949 109 H GLY 15 H GLY 15 -16.462 4.884 -6.586 110 1HA GLY 15 1HA GLY 15 -15.035 3.654 -7.813 111 2HA GLY 15 2HA GLY 15 -14.282 5.143 -8.351 112 H ARG 16 H ARG 16 -12.128 4.347 -8.216 113 HA ARG 16 HA ARG 16 -11.194 3.047 -5.940 114 2HB ARG 16 2HB ARG 16 -9.980 2.751 -8.001 115 2HG ARG 16 2HG ARG 16 -10.327 5.687 -8.187 116 2HD ARG 16 2HD ARG 16 -7.618 4.478 -8.379 117 HE ARG 16 HE ARG 16 -8.169 6.415 -10.541 118 1HH1 ARG 16 2HH2 ARG 16 -7.638 3.019 -9.681 119 2HH1 ARG 16 1HH2 ARG 16 -7.214 2.548 -11.293 120 2HH2 ARG 16 1HH ARG 16 -7.203 4.197 -13.033 121 H MET 17 H MET 17 -10.774 3.919 -3.936 122 HA MET 17 HA MET 17 -9.530 6.490 -3.799 123 2HB MET 17 2HB MET 17 -11.316 7.303 -2.131 124 2HG MET 17 2HG MET 17 -12.997 7.903 -3.886 125 1HE MET 17 1HE MET 17 -10.812 9.703 -6.789 126 2HE MET 17 2HE MET 17 -11.492 8.062 -6.900 127 3HE MET 17 3HE MET 17 -12.475 9.391 -6.237 128 H GLU 18 H GLU 18 -8.906 7.029 -1.462 129 HA GLU 18 HA GLU 18 -7.800 4.723 -0.325 130 2HB GLU 18 2HB GLU 18 -6.555 6.722 -0.055 131 2HG GLU 18 2HG GLU 18 -9.189 7.926 0.230 132 HE2 GLU 18 HE GLU 18 -7.018 7.626 3.106 133 H ALA 19 H ALA 19 -8.136 3.946 1.941 134 HA ALA 19 HA ALA 19 -10.871 3.475 2.422 135 1HB ALA 19 1HB ALA 19 -10.099 2.049 4.104 136 2HB ALA 19 2HB ALA 19 -8.705 2.102 2.998 137 3HB ALA 19 3HB ALA 19 -8.701 3.084 4.484 138 H ALA 20 H ALA 20 -8.386 5.603 3.968 139 HA ALA 20 HA ALA 20 -9.740 6.518 6.112 140 1HB ALA 20 1HB ALA 20 -8.334 8.508 4.349 141 2HB ALA 20 2HB ALA 20 -8.211 8.261 6.108 142 3HB ALA 20 3HB ALA 20 -7.411 7.129 4.992 143 H GLN 21 H GLN 21 -10.289 7.333 2.664 144 HA GLN 21 HA GLN 21 -12.072 9.426 3.232 145 2HB GLN 21 2HB GLN 21 -12.751 8.567 0.690 146 2HG GLN 21 2HG GLN 21 -10.415 10.027 0.267 147 1HE2 GLN 21 1HE2 GLN 21 -13.460 10.614 2.030 148 2HE2 GLN 21 2HE2 GLN 21 -14.168 11.704 0.886 149 H ILE 22 H ILE 22 -12.494 5.946 2.303 150 HA ILE 22 HA ILE 22 -15.277 5.987 2.254 151 HB ILE 22 HB ILE 22 -13.204 3.852 2.635 152 2HG1 ILE 22 2HG1 ILE 22 -14.117 5.170 0.406 153 1HG2 ILE 22 1HG2 ILE 22 -14.684 2.509 3.608 154 2HG2 ILE 22 2HG2 ILE 22 -16.005 3.680 3.380 155 3HG2 ILE 22 3HG2 ILE 22 -15.598 2.535 2.079 156 1HD1 ILE 22 1HD1 ILE 22 -12.175 3.410 0.902 157 2HD1 ILE 22 2HD1 ILE 22 -13.335 2.265 0.183 158 3HD1 ILE 22 3HD1 ILE 22 -12.765 3.665 -0.758 159 H SER 23 H SER 23 -12.945 5.262 4.923 160 HA SER 23 HA SER 23 -14.790 4.542 6.796 161 2HB SER 23 2HB SER 23 -12.311 4.364 7.042 162 HG SER 23 HG SER 23 -12.302 7.093 7.935 163 H GLN 24 H GLN 24 -13.631 7.809 5.803 164 HA GLN 24 HA GLN 24 -14.892 9.209 7.831 165 2HB GLN 24 2HB GLN 24 -14.859 10.965 5.676 166 2HG GLN 24 2HG GLN 24 -12.974 10.179 7.866 167 1HE2 GLN 24 1HE2 GLN 24 -12.951 12.789 5.457 168 2HE2 GLN 24 2HE2 GLN 24 -11.268 12.708 5.055 169 H THR 25 H THR 25 -15.979 8.284 4.506 170 HA THR 25 HA THR 25 -18.344 9.647 4.378 171 HB THR 25 HB THR 25 -17.394 6.933 3.372 172 HG1 THR 25 1HG THR 25 -17.612 8.383 1.390 173 1HG2 THR 25 1HG2 THR 25 -19.592 7.980 1.821 174 2HG2 THR 25 2HG2 THR 25 -19.487 6.400 2.634 175 3HG2 THR 25 3HG2 THR 25 -20.148 7.806 3.503 176 H LEU 26 H LEU 26 -17.551 6.800 6.359 177 HA LEU 26 HA LEU 26 -20.309 6.913 7.368 178 2HB LEU 26 2HB LEU 26 -20.441 4.772 6.877 179 HG LEU 26 HG LEU 26 -17.490 4.886 6.275 180 1HD1 LEU 26 1HD1 LEU 26 -19.155 2.486 6.825 181 2HD1 LEU 26 2HD1 LEU 26 -18.086 2.424 5.403 182 3HD1 LEU 26 3HD1 LEU 26 -17.405 2.746 7.016 183 1HD2 LEU 26 1HD2 LEU 26 -19.840 5.338 4.775 184 2HD2 LEU 26 2HD2 LEU 26 -18.157 5.273 4.197 185 3HD2 LEU 26 3HD2 LEU 26 -19.155 3.798 4.201 186 H ASN 27 H ASN 27 -17.852 8.550 8.066 187 HA ASN 27 HA ASN 27 -16.601 9.077 9.797 188 2HB ASN 27 2HB ASN 27 -18.757 8.539 11.784 189 1HD2 ASN 27 1HD2 ASN 27 -19.281 10.488 12.921 190 2HD2 ASN 27 2HD2 ASN 27 -18.154 11.803 12.999 191 H THR 28 H THR 28 -16.443 6.205 9.166 192 HA THR 28 HA THR 28 -16.478 4.863 11.748 193 HB THR 28 HB THR 28 -16.970 4.127 9.062 194 HG1 THR 28 1HG THR 28 -17.028 1.982 10.273 195 1HG2 THR 28 1HG2 THR 28 -14.393 2.885 10.159 196 2HG2 THR 28 2HG2 THR 28 -15.363 2.177 8.845 197 3HG2 THR 28 3HG2 THR 28 -14.571 3.755 8.617 198 HA PRO 29 HA PRO 29 -12.263 5.162 12.483 199 2HB PRO 29 2HB PRO 29 -12.441 4.097 14.516 200 2HG PRO 29 2HG PRO 29 -14.254 2.684 14.709 201 2HD PRO 29 2HD PRO 29 -15.657 3.605 13.137 202 H GLN 30 H GLN 30 -10.272 5.053 11.546 203 HA GLN 30 HA GLN 30 -10.134 4.025 9.061 204 2HB GLN 30 2HB GLN 30 -7.555 3.874 10.508 205 2HG GLN 30 2HG GLN 30 -7.133 5.820 8.836 206 1HE2 GLN 30 1HE2 GLN 30 -8.805 4.192 6.546 207 2HE2 GLN 30 2HE2 GLN 30 -7.698 2.922 6.145 208 HA PRO 31 HA PRO 31 -8.345 0.017 10.867 209 2HB PRO 31 2HB PRO 31 -7.028 0.211 12.745 210 2HG PRO 31 2HG PRO 31 -7.379 2.131 13.973 211 2HD PRO 31 2HD PRO 31 -8.242 3.505 12.345 212 H MET 32 H MET 32 -10.756 0.400 9.847 213 HA MET 32 HA MET 32 -12.174 -1.732 11.187 214 2HB MET 32 2HB MET 32 -13.804 0.629 10.231 215 2HG MET 32 2HG MET 32 -14.763 -0.136 12.696 216 1HE MET 32 1HE MET 32 -16.949 -2.339 12.340 217 2HE MET 32 2HE MET 32 -17.039 -0.613 12.765 218 3HE MET 32 3HE MET 32 -18.085 -1.269 11.484 219 H ILE 33 H ILE 33 -12.119 0.616 8.422 220 HA ILE 33 HA ILE 33 -13.631 -1.109 6.742 221 HB ILE 33 HB ILE 33 -11.965 1.346 6.180 222 2HG1 ILE 33 2HG1 ILE 33 -14.168 2.469 6.041 223 1HG2 ILE 33 1HG2 ILE 33 -12.348 1.152 3.995 224 2HG2 ILE 33 2HG2 ILE 33 -12.788 -0.541 4.323 225 3HG2 ILE 33 3HG2 ILE 33 -14.054 0.708 4.249 226 1HD1 ILE 33 1HD1 ILE 33 -16.150 1.369 6.272 227 2HD1 ILE 33 2HD1 ILE 33 -15.214 -0.105 5.924 228 3HD1 ILE 33 3HD1 ILE 33 -15.534 0.369 7.609 229 H ASN 34 H ASN 34 -10.171 -0.547 7.430 230 HA ASN 34 HA ASN 34 -9.100 -1.753 5.234 231 2HB ASN 34 2HB ASN 34 -7.202 -2.402 6.923 232 1HD2 ASN 34 1HD2 ASN 34 -7.695 0.349 8.581 233 2HD2 ASN 34 2HD2 ASN 34 -7.060 1.539 7.493 234 H ALA 35 H ALA 35 -10.373 -3.124 8.325 235 HA ALA 35 HA ALA 35 -9.506 -5.743 7.984 236 1HB ALA 35 1HB ALA 35 -10.281 -5.327 10.113 237 2HB ALA 35 2HB ALA 35 -11.625 -4.309 9.543 238 3HB ALA 35 3HB ALA 35 -11.738 -6.082 9.427 239 H MET 36 H MET 36 -12.536 -4.065 6.934 240 HA MET 36 HA MET 36 -13.698 -6.353 5.865 241 2HB MET 36 2HB MET 36 -15.294 -4.786 4.901 242 2HG MET 36 2HG MET 36 -14.644 -2.829 6.946 243 1HE MET 36 1HE MET 36 -16.384 -4.257 9.386 244 2HE MET 36 2HE MET 36 -17.644 -5.368 8.797 245 3HE MET 36 3HE MET 36 -15.925 -5.783 8.592 246 H LEU 37 H LEU 37 -11.657 -3.748 4.406 247 HA LEU 37 HA LEU 37 -11.867 -4.542 1.770 248 2HB LEU 37 2HB LEU 37 -9.594 -3.429 1.572 249 HG LEU 37 HG LEU 37 -11.927 -2.002 2.842 250 1HD1 LEU 37 1HD1 LEU 37 -9.320 -1.112 3.133 251 2HD1 LEU 37 2HD1 LEU 37 -9.911 -0.227 1.706 252 3HD1 LEU 37 3HD1 LEU 37 -10.797 -0.126 3.247 253 1HD2 LEU 37 1HD2 LEU 37 -11.414 -2.841 0.251 254 2HD2 LEU 37 2HD2 LEU 37 -12.610 -1.623 0.757 255 3HD2 LEU 37 3HD2 LEU 37 -10.989 -1.113 0.228 256 H GLN 38 H GLN 38 -9.772 -5.746 4.430 257 HA GLN 38 HA GLN 38 -8.160 -7.325 2.827 258 2HB GLN 38 2HB GLN 38 -8.728 -8.385 5.538 259 2HG GLN 38 2HG GLN 38 -6.125 -7.118 5.003 260 1HE2 GLN 38 1HE2 GLN 38 -5.171 -9.849 4.215 261 2HE2 GLN 38 2HE2 GLN 38 -5.190 -10.797 5.663 262 H GLN 39 H GLN 39 -11.242 -8.032 4.584 263 HA GLN 39 HA GLN 39 -11.307 -10.724 3.991 264 2HB GLN 39 2HB GLN 39 -13.937 -9.342 4.074 265 2HG GLN 39 2HG GLN 39 -12.497 -11.527 5.628 266 1HE2 GLN 39 1HE2 GLN 39 -15.912 -11.292 5.277 267 2HE2 GLN 39 2HE2 GLN 39 -16.330 -10.942 6.921 268 H LEU 40 H LEU 40 -12.719 -7.879 2.243 269 HA LEU 40 HA LEU 40 -13.943 -9.366 0.224 270 2HB LEU 40 2HB LEU 40 -13.986 -7.237 -0.996 271 HG LEU 40 HG LEU 40 -14.579 -6.911 1.958 272 1HD1 LEU 40 1HD1 LEU 40 -16.133 -5.254 0.138 273 2HD1 LEU 40 2HD1 LEU 40 -15.254 -4.817 1.623 274 3HD1 LEU 40 3HD1 LEU 40 -14.393 -4.886 0.066 275 1HD2 LEU 40 1HD2 LEU 40 -15.828 -8.737 0.945 276 2HD2 LEU 40 2HD2 LEU 40 -16.904 -7.367 1.310 277 3HD2 LEU 40 3HD2 LEU 40 -16.377 -7.661 -0.364 278 H GLU 41 H GLU 41 -10.622 -8.025 0.581 279 HA GLU 41 HA GLU 41 -9.816 -8.572 -2.006 280 2HB GLU 41 2HB GLU 41 -8.200 -8.456 0.578 281 2HG GLU 41 2HG GLU 41 -6.856 -7.619 -1.888 282 HE2 GLU 41 HE GLU 41 -5.378 -10.239 0.788 283 H SER 42 H SER 42 -9.523 -10.523 1.039 284 HA SER 42 HA SER 42 -8.131 -12.614 -0.009 285 2HB SER 42 2HB SER 42 -10.357 -12.840 2.062 286 HG SER 42 HG SER 42 -8.604 -14.636 1.111 287 H MET 43 H MET 43 -11.724 -12.127 0.173 288 HA MET 43 HA MET 43 -12.365 -14.549 -1.014 289 2HB MET 43 2HB MET 43 -14.557 -13.181 -1.571 290 2HG MET 43 2HG MET 43 -14.008 -12.808 1.336 291 1HE MET 43 1HE MET 43 -17.145 -15.060 2.228 292 2HE MET 43 2HE MET 43 -15.738 -15.957 1.606 293 3HE MET 43 3HE MET 43 -15.501 -14.599 2.731 294 H GLY 44 H GLY 44 -11.856 -11.246 -2.394 295 1HA GLY 44 1HA GLY 44 -10.764 -11.089 -4.527 296 2HA GLY 44 2HA GLY 44 -11.640 -12.512 -5.056 297 H LYS 45 H LYS 45 -12.766 -9.561 -3.262 298 HA LYS 45 HA LYS 45 -14.800 -9.250 -5.347 299 2HB LYS 45 2HB LYS 45 -16.205 -8.305 -3.742 300 2HG LYS 45 2HG LYS 45 -15.746 -9.775 -1.586 301 2HD LYS 45 2HD LYS 45 -15.989 -11.486 -4.045 302 2HE LYS 45 2HE LYS 45 -17.095 -11.313 -1.291 303 1HZ LYS 45 1HZ LYS 45 -18.878 -11.289 -3.491 304 2HZ LYS 45 2HZ LYS 45 -18.995 -12.728 -2.738 305 H ALA 46 H ALA 46 -12.837 -7.153 -3.112 306 HA ALA 46 HA ALA 46 -12.877 -5.090 -5.157 307 1HB ALA 46 1HB ALA 46 -12.321 -3.619 -3.431 308 2HB ALA 46 2HB ALA 46 -13.283 -4.845 -2.571 309 3HB ALA 46 3HB ALA 46 -11.506 -4.882 -2.477 310 H VAL 47 H VAL 47 -10.572 -3.810 -5.133 311 HA VAL 47 HA VAL 47 -8.428 -5.782 -5.300 312 HB VAL 47 HB VAL 47 -7.770 -4.934 -7.498 313 1HG1 VAL 47 1HG1 VAL 47 -9.692 -6.794 -6.950 314 2HG1 VAL 47 2HG1 VAL 47 -10.561 -5.722 -8.072 315 3HG1 VAL 47 3HG1 VAL 47 -9.027 -6.474 -8.570 316 1HG2 VAL 47 1HG2 VAL 47 -10.216 -3.744 -8.385 317 2HG2 VAL 47 2HG2 VAL 47 -9.669 -2.884 -6.926 318 3HG2 VAL 47 3HG2 VAL 47 -8.585 -3.034 -8.329 319 H ARG 48 H ARG 48 -6.267 -4.762 -5.294 320 HA ARG 48 HA ARG 48 -6.373 -2.431 -3.645 321 2HB ARG 48 2HB ARG 48 -3.684 -2.943 -4.009 322 2HG ARG 48 2HG ARG 48 -4.390 -4.848 -2.100 323 2HD ARG 48 2HD ARG 48 -4.514 -1.925 -1.357 324 HE ARG 48 HE ARG 48 -4.134 -3.257 0.564 325 1HH1 ARG 48 2HH2 ARG 48 -1.775 -4.044 -1.959 326 2HH1 ARG 48 1HH2 ARG 48 -0.761 -4.964 -0.899 327 2HH2 ARG 48 1HH ARG 48 -1.383 -5.203 1.404 328 H ILE 49 H ILE 49 -5.542 -0.357 -4.197 329 HA ILE 49 HA ILE 49 -4.747 -0.080 -7.013 330 HB ILE 49 HB ILE 49 -6.437 1.708 -5.272 331 2HG1 ILE 49 2HG1 ILE 49 -8.081 1.412 -7.109 332 1HG2 ILE 49 1HG2 ILE 49 -6.505 3.224 -7.271 333 2HG2 ILE 49 2HG2 ILE 49 -4.947 3.182 -6.411 334 3HG2 ILE 49 3HG2 ILE 49 -5.142 2.296 -7.943 335 1HD1 ILE 49 1HD1 ILE 49 -7.763 -0.201 -8.832 336 2HD1 ILE 49 2HD1 ILE 49 -6.239 0.718 -8.804 337 3HD1 ILE 49 3HD1 ILE 49 -6.324 -0.887 -8.039 338 H GLN 50 H GLN 50 -3.110 1.523 -7.484 339 HA GLN 50 HA GLN 50 -1.509 2.091 -5.112 340 2HB GLN 50 2HB GLN 50 -0.674 1.478 -7.975 341 2HG GLN 50 2HG GLN 50 0.826 2.778 -5.697 342 1HE2 GLN 50 1HE2 GLN 50 2.278 1.491 -4.807 343 2HE2 GLN 50 2HE2 GLN 50 3.447 0.523 -5.642 344 H GLU 51 H GLU 51 -0.364 4.165 -5.048 345 HA GLU 51 HA GLU 51 -1.822 6.149 -6.582 346 2HB GLU 51 2HB GLU 51 -0.342 7.566 -4.729 347 2HG GLU 51 2HG GLU 51 -2.723 6.651 -3.406 348 HE2 GLU 51 HE GLU 51 -1.960 9.099 -5.978 349 H GLU 52 H GLU 52 -0.370 8.248 -7.017 350 HA GLU 52 HA GLU 52 1.293 7.763 -9.004 351 2HB GLU 52 2HB GLU 52 2.541 9.966 -7.991 352 2HG GLU 52 2HG GLU 52 -0.295 10.461 -8.784 353 HE2 GLU 52 HE GLU 52 1.114 11.923 -11.463 354 HA PRO 53 HA PRO 53 4.548 5.674 -6.819 355 2HB PRO 53 2HB PRO 53 4.193 3.650 -7.860 356 2HG PRO 53 2HG PRO 53 2.795 3.740 -9.691 357 2HD PRO 53 2HD PRO 53 1.593 5.637 -9.194 358 H ASP 54 H ASP 54 6.968 5.022 -8.029 359 HA ASP 54 HA ASP 54 7.794 7.580 -9.102 360 2HB ASP 54 2HB ASP 54 9.205 6.134 -6.810 361 HD2 ASP 54 HD ASP 54 9.537 9.365 -6.497 362 H GLY 55 H GLY 55 9.945 7.374 -10.251 363 1HA GLY 55 1HA GLY 55 10.936 4.650 -10.631 364 2HA GLY 55 2HA GLY 55 10.262 5.462 -12.031 365 H CYS 56 H CYS 56 11.578 6.792 -13.227 366 HA CYS 56 HA CYS 56 13.345 7.928 -13.856 367 2HB CYS 56 2HB CYS 56 14.598 9.290 -12.090 368 HG CYS 56 HG CYS 56 12.019 10.489 -11.238 369 H LEU 57 H LEU 57 15.802 7.854 -13.876 370 HA LEU 57 HA LEU 57 16.651 5.209 -13.014 371 2HB LEU 57 2HB LEU 57 18.718 6.083 -14.434 372 HG LEU 57 HG LEU 57 17.760 5.223 -16.496 373 1HD1 LEU 57 1HD1 LEU 57 17.834 3.087 -15.810 374 2HD1 LEU 57 2HD1 LEU 57 18.188 3.795 -14.216 375 3HD1 LEU 57 3HD1 LEU 57 16.526 3.309 -14.625 376 1HD2 LEU 57 1HD2 LEU 57 15.079 4.896 -15.166 377 2HD2 LEU 57 2HD2 LEU 57 15.498 6.386 -16.049 378 3HD2 LEU 57 3HD2 LEU 57 15.504 4.818 -16.893 379 H SER 58 H SER 58 18.041 8.573 -13.031 380 HA SER 58 HA SER 58 19.160 9.665 -11.518 381 2HB SER 58 2HB SER 58 18.703 7.479 -9.457 382 HG SER 58 HG SER 58 18.326 9.670 -8.250 383 H GLY 59 H GLY 59 19.735 6.142 -10.764 384 1HA GLY 59 1HA GLY 59 21.622 4.926 -10.682 385 2HA GLY 59 2HA GLY 59 22.213 5.933 -11.989 386 H SER 60 H SER 60 22.249 5.336 -8.507 387 HA SER 60 HA SER 60 24.595 6.993 -8.346 388 2HB SER 60 2HB SER 60 23.429 7.714 -5.972 389 HG SER 60 HG SER 60 22.836 9.731 -7.125 390 H CYS 61 H CYS 61 25.961 5.280 -7.830 391 HA CYS 61 HA CYS 61 26.685 3.425 -6.855 392 2HB CYS 61 2HB CYS 61 27.194 5.260 -5.216 393 HG CYS 61 HG CYS 61 25.582 6.256 -3.807 394 H LYS 62 H LYS 62 24.136 2.985 -7.944 395 HA LYS 62 HA LYS 62 22.583 1.400 -7.909 396 2HB LYS 62 2HB LYS 62 23.426 0.578 -5.125 397 2HG LYS 62 2HG LYS 62 21.342 -0.350 -6.497 398 2HD LYS 62 2HD LYS 62 23.623 -1.091 -8.164 399 2HE LYS 62 2HE LYS 62 21.888 -3.474 -7.878 400 1HZ LYS 62 1HZ LYS 62 24.844 -3.203 -7.857 401 2HZ LYS 62 2HZ LYS 62 23.993 -4.541 -8.227 402 H SER 63 H SER 63 20.376 1.496 -7.493 403 HA SER 63 HA SER 63 19.672 3.550 -5.565 404 2HB SER 63 2HB SER 63 17.558 3.742 -6.824 405 HG SER 63 HG SER 63 18.819 3.857 -9.118 406 H CYS 64 H CYS 64 18.812 2.896 -3.630 407 HA CYS 64 HA CYS 64 16.794 0.989 -3.455 408 2HB CYS 64 2HB CYS 64 18.924 -0.301 -1.953 409 HG CYS 64 HG CYS 64 18.175 -2.526 -3.206 410 HA PRO 65 HA PRO 65 16.916 3.604 0.096 411 2HB PRO 65 2HB PRO 65 14.813 4.448 -0.317 412 2HG PRO 65 2HG PRO 65 13.569 3.235 -1.834 413 2HD PRO 65 2HD PRO 65 15.253 2.200 -3.009 414 H GLU 66 H GLU 66 15.460 3.176 2.433 415 HA GLU 66 HA GLU 66 16.610 0.609 3.208 416 2HB GLU 66 2HB GLU 66 16.534 3.196 4.822 417 2HG GLU 66 2HG GLU 66 16.683 0.421 5.669 418 HE2 GLU 66 HE GLU 66 19.060 1.945 7.790 419 H GLY 67 H GLY 67 14.413 -0.229 2.657 420 1HA GLY 67 1HA GLY 67 12.275 -0.772 3.137 421 2HA GLY 67 2HA GLY 67 12.840 -0.796 4.795 422 H LYS 68 H LYS 68 11.031 0.984 2.345 423 HA LYS 68 HA LYS 68 10.294 2.930 4.420 424 2HB LYS 68 2HB LYS 68 11.665 3.909 2.584 425 2HG LYS 68 2HG LYS 68 10.333 2.284 0.870 426 2HD LYS 68 2HD LYS 68 8.151 3.434 1.215 427 2HE LYS 68 2HE LYS 68 9.852 5.838 0.630 428 1HZ LYS 68 1HZ LYS 68 8.480 6.498 -1.013 429 2HZ LYS 68 2HZ LYS 68 7.433 5.270 -0.791 430 H ALA 69 H ALA 69 8.065 3.488 4.573 431 HA ALA 69 HA ALA 69 6.316 1.373 4.111 432 1HB ALA 69 1HB ALA 69 5.613 4.306 4.507 433 2HB ALA 69 2HB ALA 69 4.627 2.886 4.934 434 3HB ALA 69 3HB ALA 69 6.131 3.225 5.824 435 H CYS 70 H CYS 70 5.321 0.671 2.290 436 HA CYS 70 HA CYS 70 5.785 1.700 -0.175 437 2HB CYS 70 2HB CYS 70 4.876 -0.532 0.178 438 HG CYS 70 HG CYS 70 2.007 1.039 0.650 439 H LEU 71 H LEU 71 4.237 2.836 -1.705 440 HA LEU 71 HA LEU 71 3.410 5.264 -0.650 441 2HB LEU 71 2HB LEU 71 2.036 5.164 -2.945 442 HG LEU 71 HG LEU 71 4.061 5.786 -4.211 443 1HD1 LEU 71 1HD1 LEU 71 4.649 7.785 -2.882 444 2HD1 LEU 71 2HD1 LEU 71 2.894 7.498 -2.964 445 3HD1 LEU 71 3HD1 LEU 71 3.795 7.084 -1.486 446 1HD2 LEU 71 1HD2 LEU 71 6.168 6.039 -2.633 447 2HD2 LEU 71 2HD2 LEU 71 5.425 4.649 -1.807 448 3HD2 LEU 71 3HD2 LEU 71 5.850 4.536 -3.532 449 H ARG 72 H ARG 72 1.131 6.165 -0.713 450 HA ARG 72 HA ARG 72 -0.434 4.619 0.977 451 2HB ARG 72 2HB ARG 72 -2.167 6.549 -0.077 452 2HG ARG 72 2HG ARG 72 -0.541 7.889 1.831 453 2HD ARG 72 2HD ARG 72 -2.631 6.183 3.005 454 HE ARG 72 HE ARG 72 -2.469 8.265 4.091 455 1HH1 ARG 72 2HH2 ARG 72 -2.953 8.780 0.619 456 2HH1 ARG 72 1HH2 ARG 72 -3.228 10.483 0.783 457 2HH2 ARG 72 1HH ARG 72 -3.155 11.478 2.963 458 H GLU 73 H GLU 73 -0.972 2.595 -0.008 459 HA GLU 73 HA GLU 73 -1.936 2.409 -2.609 460 2HB GLU 73 2HB GLU 73 -2.637 0.101 -1.912 461 2HG GLU 73 2HG GLU 73 -0.173 -0.164 -0.594 462 HE2 GLU 73 HE GLU 73 1.299 -1.261 -3.206 463 H TRP 74 H TRP 74 -4.035 2.367 -3.480 464 HA TRP 74 HA TRP 74 -6.103 3.341 -1.648 465 2HB TRP 74 2HB TRP 74 -7.224 3.784 -3.981 466 HD1 TRP 74 HD TRP 74 -5.682 5.223 -1.152 467 HE1 TRP 74 1HE TRP 74 -5.327 7.838 -1.215 468 HE3 TRP 74 3HE TRP 74 -6.232 5.705 -6.184 469 HZ2 TRP 74 2HZ TRP 74 -5.316 9.770 -3.315 470 HZ3 TRP 74 3HZ TRP 74 -6.035 7.990 -7.160 471 HH2 TRP 74 HH TRP 74 -5.594 9.980 -5.812 472 H TRP 75 H TRP 75 -8.412 2.518 -2.396 473 HA TRP 75 HA TRP 75 -8.173 -0.345 -3.029 474 2HB TRP 75 2HB TRP 75 -10.138 -0.674 -1.526 475 HD1 TRP 75 HD TRP 75 -7.923 1.517 0.703 476 HE1 TRP 75 1HE TRP 75 -6.296 0.061 2.188 477 HE3 TRP 75 3HE TRP 75 -8.921 -2.902 -1.607 478 HZ2 TRP 75 2HZ TRP 75 -5.625 -2.712 2.227 479 HZ3 TRP 75 3HZ TRP 75 -7.737 -4.935 -0.784 480 HH2 TRP 75 HH TRP 75 -6.137 -4.890 1.064 481 H ALA 76 H ALA 76 -9.878 -1.189 -4.369 482 HA ALA 76 HA ALA 76 -11.961 0.592 -5.236 483 1HB ALA 76 1HB ALA 76 -10.016 1.326 -6.604 484 2HB ALA 76 2HB ALA 76 -9.829 -0.340 -7.203 485 3HB ALA 76 3HB ALA 76 -11.296 0.587 -7.595 486 H LEU 77 H LEU 77 -13.145 -0.668 -7.210 487 HA LEU 77 HA LEU 77 -13.442 -3.392 -6.193 488 2HB LEU 77 2HB LEU 77 -15.634 -3.351 -6.992 489 HG LEU 77 HG LEU 77 -15.120 -0.489 -6.135 490 1HD1 LEU 77 1HD1 LEU 77 -17.395 -1.421 -7.295 491 2HD1 LEU 77 2HD1 LEU 77 -17.731 -1.747 -5.577 492 3HD1 LEU 77 3HD1 LEU 77 -17.332 -0.095 -6.109 493 1HD2 LEU 77 1HD2 LEU 77 -16.150 -1.579 -3.944 494 2HD2 LEU 77 2HD2 LEU 77 -15.400 -3.044 -4.621 495 3HD2 LEU 77 3HD2 LEU 77 -14.404 -1.608 -4.284 496 H ARG 78 H ARG 78 -13.818 -5.147 -7.810 497 HA ARG 78 HA ARG 78 -11.731 -5.185 -9.610 498 2HB ARG 78 2HB ARG 78 -14.250 -6.923 -9.641 499 2HG ARG 78 2HG ARG 78 -12.586 -7.087 -11.603 500 2HD ARG 78 2HD ARG 78 -10.821 -8.611 -9.679 501 HE ARG 78 HE ARG 78 -10.597 -7.559 -12.431 502 1HH1 ARG 78 2HH2 ARG 78 -8.915 -9.023 -9.678 503 2HH1 ARG 78 1HH2 ARG 78 -7.580 -9.581 -10.631 504 2HH2 ARG 78 1HH ARG 78 -7.555 -9.140 -12.986 Start of MODEL 12 1 1H MET 1 H MET 1 -25.068 2.910 12.054 2 HA MET 1 HA MET 1 -26.094 1.987 10.273 3 2HB MET 1 2HB MET 1 -26.352 3.898 8.242 4 2HG MET 1 2HG MET 1 -28.729 4.131 9.756 5 1HE MET 1 1HE MET 1 -30.267 1.872 9.362 6 2HE MET 1 2HE MET 1 -30.985 2.917 8.113 7 3HE MET 1 3HE MET 1 -30.511 1.249 7.714 8 H ALA 2 H ALA 2 -24.449 0.742 9.477 9 HA ALA 2 HA ALA 2 -22.733 1.892 7.478 10 1HB ALA 2 1HB ALA 2 -20.878 2.163 8.717 11 2HB ALA 2 2HB ALA 2 -21.852 1.848 10.173 12 3HB ALA 2 3HB ALA 2 -21.016 0.507 9.354 13 H SER 3 H SER 3 -21.539 0.185 6.300 14 HA SER 3 HA SER 3 -21.709 -2.472 6.938 15 2HB SER 3 2HB SER 3 -24.085 -2.481 6.698 16 HG SER 3 HG SER 3 -25.198 -1.405 5.119 17 H LEU 4 H LEU 4 -21.169 -3.885 4.921 18 HA LEU 4 HA LEU 4 -19.061 -2.710 3.554 19 2HB LEU 4 2HB LEU 4 -19.741 -4.862 2.015 20 HG LEU 4 HG LEU 4 -18.073 -4.543 4.453 21 1HD1 LEU 4 1HD1 LEU 4 -17.585 -6.925 4.641 22 2HD1 LEU 4 2HD1 LEU 4 -19.298 -6.594 4.994 23 3HD1 LEU 4 3HD1 LEU 4 -18.833 -7.291 3.424 24 1HD2 LEU 4 1HD2 LEU 4 -17.662 -5.565 1.640 25 2HD2 LEU 4 2HD2 LEU 4 -17.012 -4.090 2.394 26 3HD2 LEU 4 3HD2 LEU 4 -16.418 -5.689 2.906 27 H ILE 5 H ILE 5 -22.530 -3.071 2.734 28 HA ILE 5 HA ILE 5 -22.417 -2.466 0.057 29 HB ILE 5 HB ILE 5 -24.554 -1.547 1.975 30 2HG1 ILE 5 2HG1 ILE 5 -25.560 -3.852 1.376 31 1HG2 ILE 5 1HG2 ILE 5 -25.507 -2.628 -0.502 32 2HG2 ILE 5 2HG2 ILE 5 -25.701 -0.989 0.163 33 3HG2 ILE 5 3HG2 ILE 5 -24.282 -1.382 -0.838 34 1HD1 ILE 5 1HD1 ILE 5 -24.094 -5.594 0.780 35 2HD1 ILE 5 2HD1 ILE 5 -23.526 -4.259 -0.251 36 3HD1 ILE 5 3HD1 ILE 5 -22.648 -4.667 1.244 37 H GLN 6 H GLN 6 -22.351 -0.287 2.923 38 HA GLN 6 HA GLN 6 -22.602 2.074 1.535 39 2HB GLN 6 2HB GLN 6 -20.901 2.650 3.694 40 2HG GLN 6 2HG GLN 6 -23.783 2.279 4.344 41 1HE2 GLN 6 1HE2 GLN 6 -21.468 4.753 3.229 42 2HE2 GLN 6 2HE2 GLN 6 -21.528 5.759 4.638 43 H VAL 7 H VAL 7 -19.602 0.301 2.566 44 HA VAL 7 HA VAL 7 -17.854 2.129 1.330 45 HB VAL 7 HB VAL 7 -17.643 -0.673 2.393 46 1HG1 VAL 7 1HG1 VAL 7 -15.913 -1.048 1.008 47 2HG1 VAL 7 2HG1 VAL 7 -15.802 0.663 0.529 48 3HG1 VAL 7 3HG1 VAL 7 -15.027 0.108 2.032 49 1HG2 VAL 7 1HG2 VAL 7 -17.299 0.449 4.290 50 2HG2 VAL 7 2HG2 VAL 7 -15.786 1.074 3.592 51 3HG2 VAL 7 3HG2 VAL 7 -17.294 2.006 3.428 52 H ARG 8 H ARG 8 -19.277 -1.039 0.315 53 HA ARG 8 HA ARG 8 -17.906 -1.273 -2.030 54 2HB ARG 8 2HB ARG 8 -20.103 -2.540 -2.767 55 2HG ARG 8 2HG ARG 8 -19.088 -3.545 -0.112 56 2HD ARG 8 2HD ARG 8 -20.352 -4.645 -2.428 57 HE ARG 8 HE ARG 8 -17.780 -6.080 -2.151 58 1HH1 ARG 8 2HH2 ARG 8 -19.768 -3.902 -4.115 59 2HH1 ARG 8 1HH2 ARG 8 -18.867 -4.186 -5.566 60 2HH2 ARG 8 1HH ARG 8 -17.004 -5.693 -5.515 61 H ASP 9 H ASP 9 -21.057 0.378 -1.330 62 HA ASP 9 HA ASP 9 -21.636 1.057 -3.934 63 2HB ASP 9 2HB ASP 9 -22.273 2.769 -1.495 64 HD2 ASP 9 HD ASP 9 -23.653 1.367 -4.394 65 H LEU 10 H LEU 10 -19.990 2.900 -1.259 66 HA LEU 10 HA LEU 10 -19.492 5.213 -2.723 67 2HB LEU 10 2HB LEU 10 -17.475 5.173 -0.924 68 HG LEU 10 HG LEU 10 -18.863 6.266 0.681 69 1HD1 LEU 10 1HD1 LEU 10 -19.423 8.092 -0.550 70 2HD1 LEU 10 2HD1 LEU 10 -18.498 7.208 -1.786 71 3HD1 LEU 10 3HD1 LEU 10 -20.276 7.142 -1.789 72 1HD2 LEU 10 1HD2 LEU 10 -21.062 4.709 -0.605 73 2HD2 LEU 10 2HD2 LEU 10 -20.733 5.031 1.114 74 3HD2 LEU 10 3HD2 LEU 10 -21.446 6.301 0.090 75 H LEU 11 H LEU 11 -17.472 2.255 -2.184 76 HA LEU 11 HA LEU 11 -15.226 3.070 -3.522 77 2HB LEU 11 2HB LEU 11 -15.417 0.402 -4.137 78 HG LEU 11 HG LEU 11 -14.710 1.362 -1.358 79 1HD1 LEU 11 1HD1 LEU 11 -14.725 -1.180 -2.496 80 2HD1 LEU 11 2HD1 LEU 11 -13.019 -0.674 -2.557 81 3HD1 LEU 11 3HD1 LEU 11 -13.893 -0.676 -1.005 82 1HD2 LEU 11 1HD2 LEU 11 -13.230 1.714 -3.946 83 2HD2 LEU 11 2HD2 LEU 11 -13.447 2.850 -2.592 84 3HD2 LEU 11 3HD2 LEU 11 -12.334 1.471 -2.427 85 H ALA 12 H ALA 12 -18.417 2.203 -4.777 86 HA ALA 12 HA ALA 12 -17.417 1.980 -7.481 87 1HB ALA 12 1HB ALA 12 -19.711 1.120 -5.994 88 2HB ALA 12 2HB ALA 12 -20.275 2.145 -7.335 89 3HB ALA 12 3HB ALA 12 -19.264 0.719 -7.669 90 H LEU 13 H LEU 13 -19.785 4.086 -5.690 91 HA LEU 13 HA LEU 13 -20.138 5.932 -7.698 92 2HB LEU 13 2HB LEU 13 -20.779 7.471 -5.838 93 HG LEU 13 HG LEU 13 -21.936 4.752 -5.241 94 1HD1 LEU 13 1HD1 LEU 13 -23.630 5.853 -4.270 95 2HD1 LEU 13 2HD1 LEU 13 -22.488 7.217 -4.207 96 3HD1 LEU 13 3HD1 LEU 13 -23.675 7.110 -5.529 97 1HD2 LEU 13 1HD2 LEU 13 -22.119 6.307 -7.777 98 2HD2 LEU 13 2HD2 LEU 13 -22.174 4.550 -7.494 99 3HD2 LEU 13 3HD2 LEU 13 -23.605 5.553 -7.154 100 H ARG 14 H ARG 14 -17.865 6.191 -4.869 101 HA ARG 14 HA ARG 14 -16.588 8.396 -6.084 102 2HB ARG 14 2HB ARG 14 -14.881 7.904 -4.137 103 2HG ARG 14 2HG ARG 14 -16.374 9.693 -3.730 104 2HD ARG 14 2HD ARG 14 -18.619 7.618 -3.741 105 HE ARG 14 HE ARG 14 -19.529 9.294 -2.349 106 1HH1 ARG 14 2HH2 ARG 14 -17.974 10.782 -5.164 107 2HH1 ARG 14 1HH2 ARG 14 -18.637 12.351 -4.857 108 2HH2 ARG 14 1HH ARG 14 -20.063 12.672 -2.957 109 H GLY 15 H GLY 15 -16.482 5.044 -6.619 110 1HA GLY 15 1HA GLY 15 -15.143 3.754 -7.887 111 2HA GLY 15 2HA GLY 15 -14.289 5.197 -8.395 112 H ARG 16 H ARG 16 -12.181 4.325 -8.251 113 HA ARG 16 HA ARG 16 -11.358 2.913 -5.981 114 2HB ARG 16 2HB ARG 16 -10.176 2.532 -8.051 115 2HG ARG 16 2HG ARG 16 -10.296 5.479 -8.224 116 2HD ARG 16 2HD ARG 16 -7.667 4.153 -8.251 117 HE ARG 16 HE ARG 16 -8.652 4.696 -10.834 118 1HH1 ARG 16 2HH2 ARG 16 -5.925 5.769 -8.844 119 2HH1 ARG 16 1HH2 ARG 16 -4.900 6.090 -10.202 120 2HH2 ARG 16 1HH ARG 16 -5.729 5.702 -12.417 121 H MET 17 H MET 17 -10.786 3.728 -3.986 122 HA MET 17 HA MET 17 -9.401 6.223 -3.861 123 2HB MET 17 2HB MET 17 -11.113 7.111 -2.132 124 2HG MET 17 2HG MET 17 -12.730 7.906 -3.855 125 1HE MET 17 1HE MET 17 -10.703 8.842 -7.004 126 2HE MET 17 2HE MET 17 -12.306 8.752 -6.236 127 3HE MET 17 3HE MET 17 -11.310 10.215 -6.049 128 H GLU 18 H GLU 18 -9.104 6.775 -1.311 129 HA GLU 18 HA GLU 18 -7.986 4.369 -0.264 130 2HB GLU 18 2HB GLU 18 -8.045 7.170 0.945 131 2HG GLU 18 2HG GLU 18 -7.332 4.915 2.250 132 HE2 GLU 18 HE GLU 18 -4.306 3.815 2.147 133 H ALA 19 H ALA 19 -8.510 3.389 1.786 134 HA ALA 19 HA ALA 19 -11.241 3.266 2.332 135 1HB ALA 19 1HB ALA 19 -10.629 1.617 3.826 136 2HB ALA 19 2HB ALA 19 -9.143 1.691 2.849 137 3HB ALA 19 3HB ALA 19 -9.218 2.526 4.419 138 H ALA 20 H ALA 20 -8.535 5.092 3.868 139 HA ALA 20 HA ALA 20 -9.711 6.019 6.111 140 1HB ALA 20 1HB ALA 20 -7.914 7.400 6.148 141 2HB ALA 20 2HB ALA 20 -7.437 6.567 4.649 142 3HB ALA 20 3HB ALA 20 -8.314 8.114 4.568 143 H GLN 21 H GLN 21 -10.327 7.043 2.726 144 HA GLN 21 HA GLN 21 -11.972 9.199 3.527 145 2HB GLN 21 2HB GLN 21 -12.671 8.982 0.989 146 2HG GLN 21 2HG GLN 21 -9.735 9.469 1.663 147 1HE2 GLN 21 1HE2 GLN 21 -9.925 8.564 -0.670 148 2HE2 GLN 21 2HE2 GLN 21 -10.097 9.743 -1.927 149 H ILE 22 H ILE 22 -12.546 5.864 2.226 150 HA ILE 22 HA ILE 22 -15.305 6.006 2.115 151 HB ILE 22 HB ILE 22 -13.432 3.691 2.597 152 2HG1 ILE 22 2HG1 ILE 22 -13.685 5.257 0.376 153 1HG2 ILE 22 1HG2 ILE 22 -16.398 3.653 1.979 154 2HG2 ILE 22 2HG2 ILE 22 -15.314 2.243 1.895 155 3HG2 ILE 22 3HG2 ILE 22 -15.598 3.057 3.453 156 1HD1 ILE 22 1HD1 ILE 22 -13.178 2.673 -0.627 157 2HD1 ILE 22 2HD1 ILE 22 -11.967 3.834 -0.032 158 3HD1 ILE 22 3HD1 ILE 22 -12.642 2.610 1.071 159 H SER 23 H SER 23 -13.111 5.094 4.838 160 HA SER 23 HA SER 23 -15.081 4.342 6.588 161 2HB SER 23 2HB SER 23 -12.471 4.223 6.755 162 HG SER 23 HG SER 23 -11.447 5.893 7.724 163 H GLN 24 H GLN 24 -13.568 7.587 6.011 164 HA GLN 24 HA GLN 24 -14.854 8.942 8.002 165 2HB GLN 24 2HB GLN 24 -14.668 10.759 5.853 166 2HG GLN 24 2HG GLN 24 -12.131 10.690 7.057 167 1HE2 GLN 24 1HE2 GLN 24 -12.165 12.216 9.085 168 2HE2 GLN 24 2HE2 GLN 24 -13.186 13.608 8.944 169 H THR 25 H THR 25 -15.933 8.220 4.631 170 HA THR 25 HA THR 25 -18.201 9.747 4.515 171 HB THR 25 HB THR 25 -17.688 6.910 3.476 172 HG1 THR 25 1HG THR 25 -16.109 8.376 2.703 173 1HG2 THR 25 1HG2 THR 25 -19.107 8.134 1.526 174 2HG2 THR 25 2HG2 THR 25 -19.915 7.220 2.823 175 3HG2 THR 25 3HG2 THR 25 -19.800 8.994 2.922 176 H LEU 26 H LEU 26 -17.633 6.774 6.386 177 HA LEU 26 HA LEU 26 -20.394 7.034 7.361 178 2HB LEU 26 2HB LEU 26 -20.592 4.964 6.578 179 HG LEU 26 HG LEU 26 -17.597 4.850 6.512 180 1HD1 LEU 26 1HD1 LEU 26 -17.598 2.739 7.252 181 2HD1 LEU 26 2HD1 LEU 26 -19.362 2.572 7.078 182 3HD1 LEU 26 3HD1 LEU 26 -18.302 2.338 5.666 183 1HD2 LEU 26 1HD2 LEU 26 -19.672 4.083 4.443 184 2HD2 LEU 26 2HD2 LEU 26 -18.945 5.701 4.591 185 3HD2 LEU 26 3HD2 LEU 26 -17.922 4.299 4.202 186 H ASN 27 H ASN 27 -18.117 8.623 8.250 187 HA ASN 27 HA ASN 27 -16.900 9.087 10.015 188 2HB ASN 27 2HB ASN 27 -19.296 8.009 11.583 189 1HD2 ASN 27 1HD2 ASN 27 -19.885 10.048 13.063 190 2HD2 ASN 27 2HD2 ASN 27 -18.575 10.610 14.047 191 H THR 28 H THR 28 -16.563 6.291 9.024 192 HA THR 28 HA THR 28 -16.307 4.686 11.432 193 HB THR 28 HB THR 28 -15.954 4.222 8.433 194 HG1 THR 28 1HG THR 28 -18.119 4.128 9.152 195 1HG2 THR 28 1HG2 THR 28 -15.918 2.005 10.498 196 2HG2 THR 28 2HG2 THR 28 -15.313 1.986 8.824 197 3HG2 THR 28 3HG2 THR 28 -14.388 2.822 10.094 198 HA PRO 29 HA PRO 29 -12.149 5.564 12.040 199 2HB PRO 29 2HB PRO 29 -12.247 4.820 14.216 200 2HG PRO 29 2HG PRO 29 -13.988 3.375 14.662 201 2HD PRO 29 2HD PRO 29 -15.455 3.978 12.998 202 H GLN 30 H GLN 30 -10.253 5.473 10.964 203 HA GLN 30 HA GLN 30 -10.042 4.136 8.702 204 2HB GLN 30 2HB GLN 30 -7.465 4.098 10.144 205 2HG GLN 30 2HG GLN 30 -7.052 5.916 8.326 206 1HE2 GLN 30 1HE2 GLN 30 -8.591 4.247 6.063 207 2HE2 GLN 30 2HE2 GLN 30 -7.529 2.903 5.801 208 HA PRO 31 HA PRO 31 -8.285 0.311 10.890 209 2HB PRO 31 2HB PRO 31 -6.944 0.679 12.725 210 2HG PRO 31 2HG PRO 31 -7.264 2.716 13.758 211 2HD PRO 31 2HD PRO 31 -8.132 3.929 12.008 212 H MET 32 H MET 32 -10.706 0.620 9.865 213 HA MET 32 HA MET 32 -12.111 -1.385 11.386 214 2HB MET 32 2HB MET 32 -13.713 0.980 10.362 215 2HG MET 32 2HG MET 32 -14.738 -1.153 11.373 216 1HE MET 32 1HE MET 32 -15.292 0.129 15.119 217 2HE MET 32 2HE MET 32 -16.158 -0.721 13.819 218 3HE MET 32 3HE MET 32 -15.387 -1.647 15.129 219 H ILE 33 H ILE 33 -11.993 0.756 8.476 220 HA ILE 33 HA ILE 33 -13.632 -1.011 6.946 221 HB ILE 33 HB ILE 33 -11.936 1.379 6.226 222 2HG1 ILE 33 2HG1 ILE 33 -14.176 2.468 5.968 223 1HG2 ILE 33 1HG2 ILE 33 -12.231 -0.278 4.346 224 2HG2 ILE 33 2HG2 ILE 33 -13.982 0.026 4.455 225 3HG2 ILE 33 3HG2 ILE 33 -12.872 1.355 4.044 226 1HD1 ILE 33 1HD1 ILE 33 -15.289 0.029 5.972 227 2HD1 ILE 33 2HD1 ILE 33 -15.319 0.311 7.729 228 3HD1 ILE 33 3HD1 ILE 33 -16.152 1.437 6.633 229 H ASN 34 H ASN 34 -10.143 -0.492 7.510 230 HA ASN 34 HA ASN 34 -9.127 -1.821 5.381 231 2HB ASN 34 2HB ASN 34 -7.303 -2.554 7.189 232 1HD2 ASN 34 1HD2 ASN 34 -7.949 0.553 8.307 233 2HD2 ASN 34 2HD2 ASN 34 -7.033 1.483 7.169 234 H ALA 35 H ALA 35 -10.501 -3.058 8.478 235 HA ALA 35 HA ALA 35 -9.714 -5.707 8.275 236 1HB ALA 35 1HB ALA 35 -12.349 -4.705 9.407 237 2HB ALA 35 2HB ALA 35 -11.393 -6.111 9.932 238 3HB ALA 35 3HB ALA 35 -10.788 -4.463 10.228 239 H MET 36 H MET 36 -12.623 -3.994 6.971 240 HA MET 36 HA MET 36 -13.774 -6.298 5.917 241 2HB MET 36 2HB MET 36 -15.272 -4.732 4.797 242 2HG MET 36 2HG MET 36 -14.755 -2.727 6.819 243 1HE MET 36 1HE MET 36 -17.272 -4.939 8.975 244 2HE MET 36 2HE MET 36 -17.320 -6.193 7.713 245 3HE MET 36 3HE MET 36 -15.755 -5.618 8.338 246 H LEU 37 H LEU 37 -11.667 -3.741 4.450 247 HA LEU 37 HA LEU 37 -11.716 -4.713 1.856 248 2HB LEU 37 2HB LEU 37 -9.450 -3.529 1.739 249 HG LEU 37 HG LEU 37 -11.969 -2.125 2.614 250 1HD1 LEU 37 1HD1 LEU 37 -9.695 -0.488 1.601 251 2HD1 LEU 37 2HD1 LEU 37 -11.025 -0.060 2.706 252 3HD1 LEU 37 3HD1 LEU 37 -9.645 -1.014 3.301 253 1HD2 LEU 37 1HD2 LEU 37 -10.474 -1.931 -0.005 254 2HD2 LEU 37 2HD2 LEU 37 -11.710 -3.170 0.319 255 3HD2 LEU 37 3HD2 LEU 37 -12.147 -1.445 0.358 256 H GLN 38 H GLN 38 -9.791 -5.680 4.721 257 HA GLN 38 HA GLN 38 -7.987 -7.263 3.331 258 2HB GLN 38 2HB GLN 38 -8.649 -8.264 6.016 259 2HG GLN 38 2HG GLN 38 -6.202 -6.634 5.448 260 1HE2 GLN 38 1HE2 GLN 38 -4.727 -7.110 6.902 261 2HE2 GLN 38 2HE2 GLN 38 -4.734 -8.461 7.985 262 H GLN 39 H GLN 39 -11.312 -7.818 4.491 263 HA GLN 39 HA GLN 39 -11.169 -10.622 4.137 264 2HB GLN 39 2HB GLN 39 -13.846 -9.332 4.062 265 2HG GLN 39 2HG GLN 39 -13.815 -10.838 6.294 266 1HE2 GLN 39 1HE2 GLN 39 -15.715 -11.629 5.818 267 2HE2 GLN 39 2HE2 GLN 39 -16.146 -12.552 4.416 268 H LEU 40 H LEU 40 -12.459 -7.825 2.246 269 HA LEU 40 HA LEU 40 -13.600 -9.345 0.201 270 2HB LEU 40 2HB LEU 40 -13.485 -7.234 -1.084 271 HG LEU 40 HG LEU 40 -14.416 -6.973 1.784 272 1HD1 LEU 40 1HD1 LEU 40 -13.930 -4.863 -0.029 273 2HD1 LEU 40 2HD1 LEU 40 -15.693 -5.101 0.018 274 3HD1 LEU 40 3HD1 LEU 40 -14.794 -4.803 1.525 275 1HD2 LEU 40 1HD2 LEU 40 -16.070 -7.268 -0.729 276 2HD2 LEU 40 2HD2 LEU 40 -15.525 -8.650 0.253 277 3HD2 LEU 40 3HD2 LEU 40 -16.594 -7.418 0.966 278 H GLU 41 H GLU 41 -10.271 -8.135 0.774 279 HA GLU 41 HA GLU 41 -9.287 -8.654 -1.743 280 2HB GLU 41 2HB GLU 41 -7.883 -8.773 0.962 281 2HG GLU 41 2HG GLU 41 -6.296 -7.893 -1.336 282 HE2 GLU 41 HE GLU 41 -5.790 -10.394 1.664 283 H SER 42 H SER 42 -9.341 -10.750 1.221 284 HA SER 42 HA SER 42 -8.023 -12.884 0.162 285 2HB SER 42 2HB SER 42 -10.386 -13.348 1.982 286 HG SER 42 HG SER 42 -8.854 -15.070 1.557 287 H MET 43 H MET 43 -11.557 -12.087 0.082 288 HA MET 43 HA MET 43 -12.330 -14.426 -1.191 289 2HB MET 43 2HB MET 43 -14.324 -12.844 -1.904 290 2HG MET 43 2HG MET 43 -13.985 -12.549 1.044 291 1HE MET 43 1HE MET 43 -15.810 -14.025 2.343 292 2HE MET 43 2HE MET 43 -17.412 -14.412 1.669 293 3HE MET 43 3HE MET 43 -16.008 -15.432 1.272 294 H GLY 44 H GLY 44 -11.583 -11.127 -2.511 295 1HA GLY 44 1HA GLY 44 -10.336 -10.903 -4.517 296 2HA GLY 44 2HA GLY 44 -11.015 -12.407 -5.105 297 H LYS 45 H LYS 45 -12.585 -9.516 -3.562 298 HA LYS 45 HA LYS 45 -14.390 -9.448 -5.866 299 2HB LYS 45 2HB LYS 45 -16.038 -8.620 -4.472 300 2HG LYS 45 2HG LYS 45 -15.901 -9.904 -2.298 301 2HD LYS 45 2HD LYS 45 -14.817 -11.958 -4.080 302 2HE LYS 45 2HE LYS 45 -16.614 -12.155 -2.244 303 1HZ LYS 45 1HZ LYS 45 -18.060 -10.369 -2.817 304 2HZ LYS 45 2HZ LYS 45 -18.188 -10.825 -4.375 305 H ALA 46 H ALA 46 -12.606 -7.228 -3.606 306 HA ALA 46 HA ALA 46 -12.703 -5.184 -5.679 307 1HB ALA 46 1HB ALA 46 -13.260 -4.191 -3.668 308 2HB ALA 46 2HB ALA 46 -12.224 -5.284 -2.717 309 3HB ALA 46 3HB ALA 46 -11.496 -3.952 -3.645 310 H VAL 47 H VAL 47 -10.546 -3.842 -5.840 311 HA VAL 47 HA VAL 47 -8.310 -5.747 -5.910 312 HB VAL 47 HB VAL 47 -7.584 -4.606 -7.983 313 1HG1 VAL 47 1HG1 VAL 47 -8.886 -6.750 -7.973 314 2HG1 VAL 47 2HG1 VAL 47 -10.363 -5.794 -8.245 315 3HG1 VAL 47 3HG1 VAL 47 -9.064 -5.791 -9.463 316 1HG2 VAL 47 1HG2 VAL 47 -8.531 -2.714 -8.683 317 2HG2 VAL 47 2HG2 VAL 47 -10.104 -3.532 -8.834 318 3HG2 VAL 47 3HG2 VAL 47 -9.644 -2.767 -7.294 319 H ARG 48 H ARG 48 -6.162 -4.727 -5.718 320 HA ARG 48 HA ARG 48 -6.372 -2.496 -3.920 321 2HB ARG 48 2HB ARG 48 -3.846 -4.008 -4.733 322 2HG ARG 48 2HG ARG 48 -4.667 -2.313 -2.339 323 2HD ARG 48 2HD ARG 48 -2.753 -4.579 -2.501 324 HE ARG 48 HE ARG 48 -1.700 -1.898 -2.045 325 1HH1 ARG 48 2HH2 ARG 48 -1.379 -5.290 -1.071 326 2HH1 ARG 48 1HH2 ARG 48 0.266 -5.115 -0.558 327 2HH2 ARG 48 1HH ARG 48 1.333 -2.977 -0.742 328 H ILE 49 H ILE 49 -5.497 -0.421 -4.330 329 HA ILE 49 HA ILE 49 -4.330 -0.080 -7.006 330 HB ILE 49 HB ILE 49 -6.232 1.710 -5.491 331 2HG1 ILE 49 2HG1 ILE 49 -7.745 1.326 -7.348 332 1HG2 ILE 49 1HG2 ILE 49 -6.085 3.124 -7.599 333 2HG2 ILE 49 2HG2 ILE 49 -4.694 3.193 -6.488 334 3HG2 ILE 49 3HG2 ILE 49 -4.596 2.224 -7.979 335 1HD1 ILE 49 1HD1 ILE 49 -5.354 0.397 -8.664 336 2HD1 ILE 49 2HD1 ILE 49 -6.519 -0.947 -8.599 337 3HD1 ILE 49 3HD1 ILE 49 -6.985 0.598 -9.349 338 H GLN 50 H GLN 50 -2.683 1.585 -7.204 339 HA GLN 50 HA GLN 50 -1.491 2.193 -4.611 340 2HB GLN 50 2HB GLN 50 -0.143 1.403 -7.223 341 2HG GLN 50 2HG GLN 50 0.908 2.845 -4.796 342 1HE2 GLN 50 1HE2 GLN 50 3.338 2.393 -6.868 343 2HE2 GLN 50 2HE2 GLN 50 4.180 1.056 -6.159 344 H GLU 51 H GLU 51 -0.365 4.261 -4.439 345 HA GLU 51 HA GLU 51 -1.422 6.147 -6.380 346 2HB GLU 51 2HB GLU 51 -0.308 7.595 -4.236 347 2HG GLU 51 2HG GLU 51 -3.172 6.775 -4.013 348 HE2 GLU 51 HE GLU 51 -2.376 9.565 -5.626 349 H GLU 52 H GLU 52 0.122 8.221 -6.579 350 HA GLU 52 HA GLU 52 2.195 7.619 -8.091 351 2HB GLU 52 2HB GLU 52 3.209 9.875 -6.974 352 2HG GLU 52 2HG GLU 52 0.577 10.240 -8.375 353 HE2 GLU 52 HE GLU 52 2.550 13.184 -8.423 354 HA PRO 53 HA PRO 53 4.839 5.656 -5.121 355 2HB PRO 53 2HB PRO 53 4.764 3.602 -6.158 356 2HG PRO 53 2HG PRO 53 3.861 3.627 -8.280 357 2HD PRO 53 2HD PRO 53 2.564 5.521 -8.150 358 H ASP 54 H ASP 54 7.487 5.003 -5.673 359 HA ASP 54 HA ASP 54 8.467 7.702 -6.180 360 2HB ASP 54 2HB ASP 54 10.216 5.786 -4.709 361 HD2 ASP 54 HD ASP 54 9.631 7.444 -2.351 362 H GLY 55 H GLY 55 10.794 7.698 -7.102 363 1HA GLY 55 1HA GLY 55 12.091 5.460 -8.086 364 2HA GLY 55 2HA GLY 55 10.960 5.947 -9.332 365 H CYS 56 H CYS 56 14.107 6.316 -8.288 366 HA CYS 56 HA CYS 56 14.350 9.115 -8.919 367 2HB CYS 56 2HB CYS 56 16.904 7.848 -8.731 368 HG CYS 56 HG CYS 56 15.101 9.422 -6.445 369 H LEU 57 H LEU 57 16.123 9.720 -10.608 370 HA LEU 57 HA LEU 57 15.667 8.042 -12.958 371 2HB LEU 57 2HB LEU 57 16.950 10.579 -13.464 372 HG LEU 57 HG LEU 57 15.010 11.042 -14.856 373 1HD1 LEU 57 1HD1 LEU 57 15.152 8.394 -15.845 374 2HD1 LEU 57 2HD1 LEU 57 16.056 9.828 -16.386 375 3HD1 LEU 57 3HD1 LEU 57 16.737 8.770 -15.127 376 1HD2 LEU 57 1HD2 LEU 57 13.106 9.560 -15.010 377 2HD2 LEU 57 2HD2 LEU 57 13.805 8.477 -13.782 378 3HD2 LEU 57 3HD2 LEU 57 13.293 10.122 -13.331 379 H SER 58 H SER 58 17.251 6.722 -13.663 380 HA SER 58 HA SER 58 19.205 5.833 -13.970 381 2HB SER 58 2HB SER 58 20.663 8.400 -13.314 382 HG SER 58 HG SER 58 21.083 7.110 -15.755 383 H GLY 59 H GLY 59 20.150 4.404 -12.558 384 1HA GLY 59 1HA GLY 59 21.871 4.595 -10.639 385 2HA GLY 59 2HA GLY 59 20.510 5.281 -9.774 386 H SER 60 H SER 60 22.128 2.625 -9.590 387 HA SER 60 HA SER 60 19.776 0.899 -9.670 388 2HB SER 60 2HB SER 60 22.705 0.275 -10.192 389 HG SER 60 HG SER 60 22.350 -1.825 -9.833 390 H CYS 61 H CYS 61 19.157 -0.004 -7.717 391 HA CYS 61 HA CYS 61 20.512 0.847 -5.385 392 2HB CYS 61 2HB CYS 61 18.453 -1.327 -5.288 393 HG CYS 61 HG CYS 61 18.969 -0.838 -2.968 394 H LYS 62 H LYS 62 19.651 -2.495 -6.564 395 HA LYS 62 HA LYS 62 22.288 -3.445 -6.397 396 2HB LYS 62 2HB LYS 62 20.598 -4.494 -4.132 397 2HG LYS 62 2HG LYS 62 23.219 -4.623 -3.385 398 2HD LYS 62 2HD LYS 62 21.232 -6.444 -4.119 399 2HE LYS 62 2HE LYS 62 23.303 -6.404 -6.193 400 1HZ LYS 62 1HZ LYS 62 22.871 -9.139 -5.461 401 2HZ LYS 62 2HZ LYS 62 24.264 -8.403 -5.873 402 H SER 63 H SER 63 18.928 -4.618 -5.636 403 HA SER 63 HA SER 63 18.850 -5.938 -8.152 404 2HB SER 63 2HB SER 63 18.234 -8.033 -6.281 405 HG SER 63 HG SER 63 20.650 -7.956 -7.823 406 H CYS 64 H CYS 64 17.452 -6.072 -4.788 407 HA CYS 64 HA CYS 64 14.871 -5.415 -5.997 408 2HB CYS 64 2HB CYS 64 14.873 -7.827 -5.539 409 HG CYS 64 HG CYS 64 14.619 -7.561 -2.397 410 HA PRO 65 HA PRO 65 14.773 -2.533 -2.734 411 2HB PRO 65 2HB PRO 65 12.978 -1.417 -3.646 412 2HG PRO 65 2HG PRO 65 11.666 -2.689 -5.054 413 2HD PRO 65 2HD PRO 65 13.189 -4.284 -5.700 414 H GLU 66 H GLU 66 13.008 -2.093 -0.623 415 HA GLU 66 HA GLU 66 13.506 -4.555 0.864 416 2HB GLU 66 2HB GLU 66 15.000 -2.646 1.523 417 2HG GLU 66 2HG GLU 66 13.375 -1.057 3.118 418 HE2 GLU 66 HE GLU 66 14.059 1.595 1.140 419 H GLY 67 H GLY 67 12.124 -3.199 3.241 420 1HA GLY 67 1HA GLY 67 9.381 -3.764 2.341 421 2HA GLY 67 2HA GLY 67 9.988 -3.854 3.983 422 H LYS 68 H LYS 68 9.757 -2.094 5.338 423 HA LYS 68 HA LYS 68 9.169 -0.088 6.043 424 2HB LYS 68 2HB LYS 68 9.724 1.895 4.624 425 2HG LYS 68 2HG LYS 68 12.229 1.169 4.337 426 2HD LYS 68 2HD LYS 68 12.546 1.103 6.832 427 2HE LYS 68 2HE LYS 68 10.490 3.137 6.865 428 1HZ LYS 68 1HZ LYS 68 12.822 3.167 7.802 429 2HZ LYS 68 2HZ LYS 68 13.383 3.464 6.303 430 H ALA 69 H ALA 69 7.345 1.351 6.107 431 HA ALA 69 HA ALA 69 4.982 0.347 5.329 432 1HB ALA 69 1HB ALA 69 4.589 2.118 6.687 433 2HB ALA 69 2HB ALA 69 6.033 2.989 6.119 434 3HB ALA 69 3HB ALA 69 4.521 3.067 5.182 435 H CYS 70 H CYS 70 3.609 0.391 3.535 436 HA CYS 70 HA CYS 70 4.961 1.020 1.059 437 2HB CYS 70 2HB CYS 70 3.840 -1.150 1.256 438 HG CYS 70 HG CYS 70 2.002 -1.238 2.815 439 H LEU 71 H LEU 71 3.731 2.290 -0.645 440 HA LEU 71 HA LEU 71 2.931 4.754 0.349 441 2HB LEU 71 2HB LEU 71 1.924 4.842 -2.106 442 HG LEU 71 HG LEU 71 4.132 5.277 -3.071 443 1HD1 LEU 71 1HD1 LEU 71 2.901 6.905 -1.518 444 2HD1 LEU 71 2HD1 LEU 71 4.126 6.471 -0.303 445 3HD1 LEU 71 3HD1 LEU 71 4.624 7.207 -1.845 446 1HD2 LEU 71 1HD2 LEU 71 5.552 4.738 -0.513 447 2HD2 LEU 71 2HD2 LEU 71 5.120 3.337 -1.522 448 3HD2 LEU 71 3HD2 LEU 71 6.126 4.641 -2.196 449 H ARG 72 H ARG 72 0.759 5.821 0.013 450 HA ARG 72 HA ARG 72 -1.131 4.425 1.441 451 2HB ARG 72 2HB ARG 72 -2.636 6.359 0.185 452 2HG ARG 72 2HG ARG 72 -0.922 7.744 2.035 453 2HD ARG 72 2HD ARG 72 -3.386 6.378 3.040 454 HE ARG 72 HE ARG 72 -2.065 8.957 3.348 455 1HH1 ARG 72 2HH2 ARG 72 -5.187 7.309 3.640 456 2HH1 ARG 72 1HH2 ARG 72 -5.816 8.439 4.793 457 2HH2 ARG 72 1HH ARG 72 -4.450 10.276 5.500 458 H GLU 73 H GLU 73 -1.542 2.366 0.417 459 HA GLU 73 HA GLU 73 -2.212 2.176 -2.282 460 2HB GLU 73 2HB GLU 73 -1.352 0.283 -0.924 461 2HG GLU 73 2HG GLU 73 -3.982 -0.422 0.212 462 HE2 GLU 73 HE GLU 73 -2.725 -2.307 0.515 463 H TRP 74 H TRP 74 -4.201 2.181 -3.366 464 HA TRP 74 HA TRP 74 -6.446 3.141 -1.753 465 2HB TRP 74 2HB TRP 74 -7.339 3.580 -4.172 466 HD1 TRP 74 HD TRP 74 -5.935 5.020 -1.249 467 HE1 TRP 74 1HE TRP 74 -5.552 7.630 -1.316 468 HE3 TRP 74 3HE TRP 74 -6.232 5.464 -6.305 469 HZ2 TRP 74 2HZ TRP 74 -5.420 9.545 -3.428 470 HZ3 TRP 74 3HZ TRP 74 -5.965 7.739 -7.290 471 HH2 TRP 74 HH TRP 74 -5.571 9.737 -5.938 472 H TRP 75 H TRP 75 -8.670 2.303 -2.678 473 HA TRP 75 HA TRP 75 -8.404 -0.509 -3.466 474 2HB TRP 75 2HB TRP 75 -10.268 -1.036 -1.889 475 HD1 TRP 75 HD TRP 75 -7.901 0.953 0.385 476 HE1 TRP 75 1HE TRP 75 -6.178 -0.629 1.606 477 HE3 TRP 75 3HE TRP 75 -9.084 -3.237 -2.242 478 HZ2 TRP 75 2HZ TRP 75 -5.517 -3.392 1.343 479 HZ3 TRP 75 3HZ TRP 75 -7.854 -5.335 -1.698 480 HH2 TRP 75 HH TRP 75 -6.124 -5.455 0.025 481 H ALA 76 H ALA 76 -10.197 -1.257 -4.759 482 HA ALA 76 HA ALA 76 -12.343 0.575 -5.319 483 1HB ALA 76 1HB ALA 76 -11.014 -0.197 -7.826 484 2HB ALA 76 2HB ALA 76 -11.648 1.385 -7.311 485 3HB ALA 76 3HB ALA 76 -10.018 0.874 -6.812 486 H LEU 77 H LEU 77 -13.755 -0.492 -7.179 487 HA LEU 77 HA LEU 77 -14.055 -3.251 -6.361 488 2HB LEU 77 2HB LEU 77 -16.205 -3.135 -7.338 489 HG LEU 77 HG LEU 77 -15.531 -0.515 -5.992 490 1HD1 LEU 77 1HD1 LEU 77 -17.919 -0.035 -5.848 491 2HD1 LEU 77 2HD1 LEU 77 -17.383 -0.106 -7.543 492 3HD1 LEU 77 3HD1 LEU 77 -18.281 -1.470 -6.836 493 1HD2 LEU 77 1HD2 LEU 77 -17.443 -2.322 -4.717 494 2HD2 LEU 77 2HD2 LEU 77 -15.846 -3.063 -4.979 495 3HD2 LEU 77 3HD2 LEU 77 -15.982 -1.542 -4.064 496 H ARG 78 H ARG 78 -14.332 -5.000 -7.961 497 HA ARG 78 HA ARG 78 -12.314 -4.726 -9.952 498 2HB ARG 78 2HB ARG 78 -14.103 -7.058 -9.109 499 2HG ARG 78 2HG ARG 78 -13.287 -7.116 -11.562 500 2HD ARG 78 2HD ARG 78 -10.613 -7.957 -10.487 501 HE ARG 78 HE ARG 78 -10.941 -6.343 -12.926 502 1HH1 ARG 78 2HH2 ARG 78 -10.932 -9.613 -11.562 503 2HH1 ARG 78 1HH2 ARG 78 -10.616 -10.380 -13.082 504 2HH2 ARG 78 1HH ARG 78 -10.380 -9.034 -15.050 Start of MODEL 13 1 1H MET 1 H MET 1 -24.490 5.412 10.239 2 HA MET 1 HA MET 1 -25.295 2.695 9.709 3 2HB MET 1 2HB MET 1 -26.378 4.486 8.414 4 2HG MET 1 2HG MET 1 -24.194 5.429 6.785 5 1HE MET 1 1HE MET 1 -24.941 9.196 8.030 6 2HE MET 1 2HE MET 1 -23.660 8.069 8.539 7 3HE MET 1 3HE MET 1 -24.038 8.265 6.811 8 H ALA 2 H ALA 2 -23.988 1.108 8.774 9 HA ALA 2 HA ALA 2 -21.541 1.725 7.506 10 1HB ALA 2 1HB ALA 2 -20.064 0.649 9.230 11 2HB ALA 2 2HB ALA 2 -20.755 2.204 9.753 12 3HB ALA 2 3HB ALA 2 -21.437 0.677 10.362 13 H SER 3 H SER 3 -21.067 0.040 6.145 14 HA SER 3 HA SER 3 -21.439 -2.613 6.829 15 2HB SER 3 2HB SER 3 -23.801 -2.396 6.692 16 HG SER 3 HG SER 3 -23.602 -0.249 5.476 17 H LEU 4 H LEU 4 -21.079 -4.070 4.835 18 HA LEU 4 HA LEU 4 -18.948 -3.099 3.356 19 2HB LEU 4 2HB LEU 4 -20.023 -5.219 1.906 20 HG LEU 4 HG LEU 4 -18.392 -6.625 2.908 21 1HD1 LEU 4 1HD1 LEU 4 -17.638 -4.624 1.504 22 2HD1 LEU 4 2HD1 LEU 4 -17.100 -3.902 3.039 23 3HD1 LEU 4 3HD1 LEU 4 -16.407 -5.448 2.492 24 1HD2 LEU 4 1HD2 LEU 4 -17.106 -5.473 4.972 25 2HD2 LEU 4 2HD2 LEU 4 -18.748 -4.851 5.257 26 3HD2 LEU 4 3HD2 LEU 4 -18.464 -6.606 5.166 27 H ILE 5 H ILE 5 -22.464 -3.302 2.604 28 HA ILE 5 HA ILE 5 -22.293 -2.595 -0.070 29 HB ILE 5 HB ILE 5 -24.504 -1.872 1.851 30 2HG1 ILE 5 2HG1 ILE 5 -25.442 -4.135 1.112 31 1HG2 ILE 5 1HG2 ILE 5 -25.881 -1.625 0.049 32 2HG2 ILE 5 2HG2 ILE 5 -24.345 -1.090 -0.674 33 3HG2 ILE 5 3HG2 ILE 5 -24.941 -2.740 -0.972 34 1HD1 ILE 5 1HD1 ILE 5 -22.478 -4.670 0.621 35 2HD1 ILE 5 2HD1 ILE 5 -23.811 -5.845 0.512 36 3HD1 ILE 5 3HD1 ILE 5 -23.691 -4.522 -0.673 37 H GLN 6 H GLN 6 -22.342 -0.593 2.920 38 HA GLN 6 HA GLN 6 -22.651 1.840 1.675 39 2HB GLN 6 2HB GLN 6 -21.026 2.378 3.878 40 2HG GLN 6 2HG GLN 6 -23.905 1.716 4.399 41 1HE2 GLN 6 1HE2 GLN 6 -21.790 4.512 3.758 42 2HE2 GLN 6 2HE2 GLN 6 -21.946 5.266 5.309 43 H VAL 7 H VAL 7 -19.608 0.106 2.649 44 HA VAL 7 HA VAL 7 -17.910 2.060 1.534 45 HB VAL 7 HB VAL 7 -17.592 -0.791 2.443 46 1HG1 VAL 7 1HG1 VAL 7 -15.036 -0.099 2.261 47 2HG1 VAL 7 2HG1 VAL 7 -15.896 -0.847 0.894 48 3HG1 VAL 7 3HG1 VAL 7 -15.649 0.916 0.932 49 1HG2 VAL 7 1HG2 VAL 7 -17.264 1.894 3.609 50 2HG2 VAL 7 2HG2 VAL 7 -17.546 0.323 4.398 51 3HG2 VAL 7 3HG2 VAL 7 -15.899 0.793 3.916 52 H ARG 8 H ARG 8 -19.189 -1.115 0.356 53 HA ARG 8 HA ARG 8 -17.776 -1.202 -1.968 54 2HB ARG 8 2HB ARG 8 -19.932 -2.488 -2.805 55 2HG ARG 8 2HG ARG 8 -19.011 -3.668 -0.212 56 2HD ARG 8 2HD ARG 8 -18.228 -5.325 -2.277 57 HE ARG 8 HE ARG 8 -20.200 -5.415 -0.317 58 1HH1 ARG 8 2HH2 ARG 8 -20.029 -6.442 -3.704 59 2HH1 ARG 8 1HH2 ARG 8 -21.160 -7.737 -3.498 60 2HH2 ARG 8 1HH ARG 8 -22.128 -8.117 -1.338 61 H ASP 9 H ASP 9 -21.026 0.275 -1.303 62 HA ASP 9 HA ASP 9 -21.606 1.050 -3.849 63 2HB ASP 9 2HB ASP 9 -22.191 2.703 -1.352 64 HD2 ASP 9 HD ASP 9 -23.263 2.759 -4.867 65 H LEU 10 H LEU 10 -19.911 2.862 -1.181 66 HA LEU 10 HA LEU 10 -19.425 5.178 -2.664 67 2HB LEU 10 2HB LEU 10 -17.401 5.062 -0.816 68 HG LEU 10 HG LEU 10 -18.764 6.329 0.697 69 1HD1 LEU 10 1HD1 LEU 10 -19.282 8.164 -0.645 70 2HD1 LEU 10 2HD1 LEU 10 -18.058 7.280 -1.589 71 3HD1 LEU 10 3HD1 LEU 10 -19.780 7.148 -2.018 72 1HD2 LEU 10 1HD2 LEU 10 -21.204 6.604 0.362 73 2HD2 LEU 10 2HD2 LEU 10 -21.148 5.337 -0.887 74 3HD2 LEU 10 3HD2 LEU 10 -20.736 4.942 0.799 75 H LEU 11 H LEU 11 -17.364 2.264 -2.022 76 HA LEU 11 HA LEU 11 -15.136 3.083 -3.395 77 2HB LEU 11 2HB LEU 11 -15.290 0.368 -3.873 78 HG LEU 11 HG LEU 11 -14.439 1.652 -1.264 79 1HD1 LEU 11 1HD1 LEU 11 -13.000 -0.730 -2.159 80 2HD1 LEU 11 2HD1 LEU 11 -13.695 -0.332 -0.568 81 3HD1 LEU 11 3HD1 LEU 11 -14.725 -1.034 -1.839 82 1HD2 LEU 11 1HD2 LEU 11 -12.931 2.715 -2.527 83 2HD2 LEU 11 2HD2 LEU 11 -12.142 1.126 -2.669 84 3HD2 LEU 11 3HD2 LEU 11 -13.248 1.687 -3.946 85 H ALA 12 H ALA 12 -18.295 2.030 -4.598 86 HA ALA 12 HA ALA 12 -17.285 1.728 -7.293 87 1HB ALA 12 1HB ALA 12 -20.099 1.712 -7.293 88 2HB ALA 12 2HB ALA 12 -19.020 0.296 -7.287 89 3HB ALA 12 3HB ALA 12 -19.633 0.955 -5.752 90 H LEU 13 H LEU 13 -19.729 3.809 -5.577 91 HA LEU 13 HA LEU 13 -20.184 5.539 -7.669 92 2HB LEU 13 2HB LEU 13 -20.889 7.130 -5.883 93 HG LEU 13 HG LEU 13 -21.879 4.352 -5.216 94 1HD1 LEU 13 1HD1 LEU 13 -22.610 6.165 -3.733 95 2HD1 LEU 13 2HD1 LEU 13 -23.246 7.056 -5.136 96 3HD1 LEU 13 3HD1 LEU 13 -23.963 5.494 -4.676 97 1HD2 LEU 13 1HD2 LEU 13 -23.621 4.772 -6.991 98 2HD2 LEU 13 2HD2 LEU 13 -22.587 6.094 -7.585 99 3HD2 LEU 13 3HD2 LEU 13 -21.981 4.420 -7.587 100 H ARG 14 H ARG 14 -17.911 6.039 -4.872 101 HA ARG 14 HA ARG 14 -16.741 8.235 -6.204 102 2HB ARG 14 2HB ARG 14 -15.007 7.924 -4.244 103 2HG ARG 14 2HG ARG 14 -16.587 9.660 -3.928 104 2HD ARG 14 2HD ARG 14 -18.727 7.482 -3.782 105 HE ARG 14 HE ARG 14 -19.750 9.191 -2.532 106 1HH1 ARG 14 2HH2 ARG 14 -18.120 10.608 -5.341 107 2HH1 ARG 14 1HH2 ARG 14 -18.816 12.177 -5.109 108 2HH2 ARG 14 1HH ARG 14 -20.311 12.538 -3.270 109 H GLY 15 H GLY 15 -16.491 4.874 -6.587 110 1HA GLY 15 1HA GLY 15 -15.092 3.573 -7.773 111 2HA GLY 15 2HA GLY 15 -14.325 5.026 -8.383 112 H ARG 16 H ARG 16 -12.224 3.975 -8.239 113 HA ARG 16 HA ARG 16 -11.295 2.870 -5.886 114 2HB ARG 16 2HB ARG 16 -10.132 2.376 -7.939 115 2HG ARG 16 2HG ARG 16 -10.360 5.300 -8.329 116 2HD ARG 16 2HD ARG 16 -7.695 3.993 -8.427 117 HE ARG 16 HE ARG 16 -8.704 4.366 -10.935 118 1HH1 ARG 16 2HH2 ARG 16 -6.336 6.240 -9.082 119 2HH1 ARG 16 1HH2 ARG 16 -5.488 6.792 -10.488 120 2HH2 ARG 16 1HH ARG 16 -6.241 6.106 -12.658 121 H MET 17 H MET 17 -10.821 3.868 -3.953 122 HA MET 17 HA MET 17 -9.500 6.415 -4.039 123 2HB MET 17 2HB MET 17 -11.209 7.301 -2.291 124 2HG MET 17 2HG MET 17 -12.972 7.817 -4.064 125 1HE MET 17 1HE MET 17 -12.328 9.801 -3.180 126 2HE MET 17 2HE MET 17 -11.045 10.893 -3.754 127 3HE MET 17 3HE MET 17 -12.428 10.513 -4.808 128 H GLU 18 H GLU 18 -9.151 7.143 -1.540 129 HA GLU 18 HA GLU 18 -7.746 4.975 -0.419 130 2HB GLU 18 2HB GLU 18 -8.314 7.803 0.558 131 2HG GLU 18 2HG GLU 18 -7.870 6.535 2.562 132 HE2 GLU 18 HE GLU 18 -6.476 3.420 2.340 133 H ALA 19 H ALA 19 -8.182 3.753 1.462 134 HA ALA 19 HA ALA 19 -10.837 3.198 2.011 135 1HB ALA 19 1HB ALA 19 -9.693 1.454 2.855 136 2HB ALA 19 2HB ALA 19 -8.187 2.400 2.914 137 3HB ALA 19 3HB ALA 19 -9.331 2.462 4.276 138 H ALA 20 H ALA 20 -8.444 5.232 3.825 139 HA ALA 20 HA ALA 20 -9.902 5.899 5.996 140 1HB ALA 20 1HB ALA 20 -8.552 8.189 4.683 141 2HB ALA 20 2HB ALA 20 -8.279 7.464 6.286 142 3HB ALA 20 3HB ALA 20 -7.556 6.722 4.838 143 H GLN 21 H GLN 21 -10.264 7.148 2.642 144 HA GLN 21 HA GLN 21 -12.098 9.134 3.329 145 2HB GLN 21 2HB GLN 21 -12.670 8.411 0.682 146 2HG GLN 21 2HG GLN 21 -10.494 10.107 0.452 147 1HE2 GLN 21 1HE2 GLN 21 -13.563 10.321 2.258 148 2HE2 GLN 21 2HE2 GLN 21 -14.366 11.427 1.194 149 H ILE 22 H ILE 22 -12.436 5.695 2.298 150 HA ILE 22 HA ILE 22 -15.217 5.721 2.033 151 HB ILE 22 HB ILE 22 -13.276 3.498 2.669 152 2HG1 ILE 22 2HG1 ILE 22 -13.423 4.999 0.399 153 1HG2 ILE 22 1HG2 ILE 22 -15.867 2.847 1.406 154 2HG2 ILE 22 2HG2 ILE 22 -14.919 1.963 2.627 155 3HG2 ILE 22 3HG2 ILE 22 -15.947 3.332 3.117 156 1HD1 ILE 22 1HD1 ILE 22 -12.431 2.331 1.183 157 2HD1 ILE 22 2HD1 ILE 22 -12.759 2.468 -0.562 158 3HD1 ILE 22 3HD1 ILE 22 -11.634 3.602 0.224 159 H SER 23 H SER 23 -13.084 4.808 4.822 160 HA SER 23 HA SER 23 -15.101 4.128 6.534 161 2HB SER 23 2HB SER 23 -12.537 3.910 6.800 162 HG SER 23 HG SER 23 -11.872 5.728 8.395 163 H GLN 24 H GLN 24 -13.582 7.346 5.879 164 HA GLN 24 HA GLN 24 -14.822 8.763 7.853 165 2HB GLN 24 2HB GLN 24 -14.695 10.511 5.644 166 2HG GLN 24 2HG GLN 24 -12.120 10.455 6.791 167 1HE2 GLN 24 1HE2 GLN 24 -12.467 12.491 5.856 168 2HE2 GLN 24 2HE2 GLN 24 -13.334 13.749 6.671 169 H THR 25 H THR 25 -15.986 7.932 4.535 170 HA THR 25 HA THR 25 -18.235 9.445 4.364 171 HB THR 25 HB THR 25 -17.922 6.493 3.599 172 HG1 THR 25 1HG THR 25 -17.290 9.034 2.270 173 1HG2 THR 25 1HG2 THR 25 -19.120 8.118 1.568 174 2HG2 THR 25 2HG2 THR 25 -19.891 6.803 2.486 175 3HG2 THR 25 3HG2 THR 25 -19.990 8.477 3.079 176 H LEU 26 H LEU 26 -17.728 6.548 6.403 177 HA LEU 26 HA LEU 26 -20.417 7.035 7.486 178 2HB LEU 26 2HB LEU 26 -20.768 4.938 6.844 179 HG LEU 26 HG LEU 26 -17.787 4.632 6.662 180 1HD1 LEU 26 1HD1 LEU 26 -19.093 2.647 7.885 181 2HD1 LEU 26 2HD1 LEU 26 -19.433 2.199 6.196 182 3HD1 LEU 26 3HD1 LEU 26 -17.751 2.367 6.751 183 1HD2 LEU 26 1HD2 LEU 26 -19.677 5.320 4.832 184 2HD2 LEU 26 2HD2 LEU 26 -18.115 4.560 4.442 185 3HD2 LEU 26 3HD2 LEU 26 -19.581 3.561 4.581 186 H ASN 27 H ASN 27 -18.105 8.589 8.212 187 HA ASN 27 HA ASN 27 -16.794 9.108 9.891 188 2HB ASN 27 2HB ASN 27 -18.908 8.118 11.825 189 1HD2 ASN 27 1HD2 ASN 27 -19.361 9.738 13.417 190 2HD2 ASN 27 2HD2 ASN 27 -18.167 10.914 13.855 191 H THR 28 H THR 28 -16.521 6.280 8.991 192 HA THR 28 HA THR 28 -16.193 4.730 11.417 193 HB THR 28 HB THR 28 -15.887 4.238 8.420 194 HG1 THR 28 1HG THR 28 -18.012 4.264 9.526 195 1HG2 THR 28 1HG2 THR 28 -15.134 2.046 8.798 196 2HG2 THR 28 2HG2 THR 28 -14.245 2.900 10.082 197 3HG2 THR 28 3HG2 THR 28 -15.743 2.021 10.470 198 HA PRO 29 HA PRO 29 -12.038 5.651 11.981 199 2HB PRO 29 2HB PRO 29 -12.110 4.920 14.164 200 2HG PRO 29 2HG PRO 29 -13.831 3.460 14.635 201 2HD PRO 29 2HD PRO 29 -15.319 4.035 12.979 202 H GLN 30 H GLN 30 -10.169 5.584 10.865 203 HA GLN 30 HA GLN 30 -9.960 4.225 8.621 204 2HB GLN 30 2HB GLN 30 -7.367 4.238 10.036 205 2HG GLN 30 2HG GLN 30 -6.961 6.004 8.192 206 1HE2 GLN 30 1HE2 GLN 30 -8.522 4.448 5.911 207 2HE2 GLN 30 2HE2 GLN 30 -7.535 3.049 5.644 208 HA PRO 31 HA PRO 31 -8.123 0.445 10.824 209 2HB PRO 31 2HB PRO 31 -6.768 0.850 12.641 210 2HG PRO 31 2HG PRO 31 -7.106 2.892 13.658 211 2HD PRO 31 2HD PRO 31 -8.010 4.076 11.907 212 H MET 32 H MET 32 -10.557 0.706 9.821 213 HA MET 32 HA MET 32 -11.920 -1.299 11.382 214 2HB MET 32 2HB MET 32 -13.534 1.056 10.338 215 2HG MET 32 2HG MET 32 -14.508 -1.146 11.350 216 1HE MET 32 1HE MET 32 -14.031 -2.955 14.182 217 2HE MET 32 2HE MET 32 -13.949 -2.754 12.415 218 3HE MET 32 3HE MET 32 -12.460 -2.684 13.389 219 H ILE 33 H ILE 33 -11.842 0.793 8.437 220 HA ILE 33 HA ILE 33 -13.473 -1.017 6.947 221 HB ILE 33 HB ILE 33 -11.813 1.383 6.183 222 2HG1 ILE 33 2HG1 ILE 33 -14.103 2.401 5.881 223 1HG2 ILE 33 1HG2 ILE 33 -12.170 -0.402 4.361 224 2HG2 ILE 33 2HG2 ILE 33 -13.878 0.096 4.408 225 3HG2 ILE 33 3HG2 ILE 33 -12.616 1.281 3.996 226 1HD1 ILE 33 1HD1 ILE 33 -15.186 -0.004 5.993 227 2HD1 ILE 33 2HD1 ILE 33 -15.068 0.229 7.754 228 3HD1 ILE 33 3HD1 ILE 33 -16.018 1.366 6.767 229 H ASN 34 H ASN 34 -9.992 -0.469 7.507 230 HA ASN 34 HA ASN 34 -8.954 -1.797 5.391 231 2HB ASN 34 2HB ASN 34 -7.138 -2.521 7.203 232 1HD2 ASN 34 1HD2 ASN 34 -8.116 0.638 8.152 233 2HD2 ASN 34 2HD2 ASN 34 -7.099 1.565 7.098 234 H ALA 35 H ALA 35 -10.495 -3.024 8.387 235 HA ALA 35 HA ALA 35 -9.660 -5.702 8.136 236 1HB ALA 35 1HB ALA 35 -12.271 -5.055 9.428 237 2HB ALA 35 2HB ALA 35 -10.894 -5.999 10.043 238 3HB ALA 35 3HB ALA 35 -10.837 -4.220 10.071 239 H MET 36 H MET 36 -12.624 -3.901 7.096 240 HA MET 36 HA MET 36 -13.914 -6.127 6.069 241 2HB MET 36 2HB MET 36 -15.379 -4.470 5.002 242 2HG MET 36 2HG MET 36 -14.719 -2.570 7.087 243 1HE MET 36 1HE MET 36 -18.192 -1.961 7.588 244 2HE MET 36 2HE MET 36 -17.118 -2.361 8.950 245 3HE MET 36 3HE MET 36 -16.478 -1.481 7.541 246 H LEU 37 H LEU 37 -11.851 -3.616 4.448 247 HA LEU 37 HA LEU 37 -12.072 -4.579 1.877 248 2HB LEU 37 2HB LEU 37 -9.763 -3.505 1.626 249 HG LEU 37 HG LEU 37 -12.214 -2.062 2.560 250 1HD1 LEU 37 1HD1 LEU 37 -10.169 -0.966 3.611 251 2HD1 LEU 37 2HD1 LEU 37 -9.672 -0.551 1.952 252 3HD1 LEU 37 3HD1 LEU 37 -11.211 0.065 2.601 253 1HD2 LEU 37 1HD2 LEU 37 -10.573 -2.153 0.026 254 2HD2 LEU 37 2HD2 LEU 37 -12.255 -2.673 0.283 255 3HD2 LEU 37 3HD2 LEU 37 -11.847 -0.941 0.307 256 H GLN 38 H GLN 38 -9.913 -5.598 4.571 257 HA GLN 38 HA GLN 38 -8.299 -7.257 3.094 258 2HB GLN 38 2HB GLN 38 -8.967 -8.240 5.811 259 2HG GLN 38 2HG GLN 38 -6.348 -7.007 5.424 260 1HE2 GLN 38 1HE2 GLN 38 -4.680 -8.820 5.514 261 2HE2 GLN 38 2HE2 GLN 38 -5.025 -10.153 6.565 262 H GLN 39 H GLN 39 -11.594 -7.721 4.379 263 HA GLN 39 HA GLN 39 -11.611 -10.504 4.025 264 2HB GLN 39 2HB GLN 39 -14.231 -9.155 3.824 265 2HG GLN 39 2HG GLN 39 -12.858 -11.159 5.647 266 1HE2 GLN 39 1HE2 GLN 39 -16.030 -11.731 5.589 267 2HE2 GLN 39 2HE2 GLN 39 -16.568 -10.965 7.047 268 H LEU 40 H LEU 40 -12.737 -7.701 2.034 269 HA LEU 40 HA LEU 40 -13.891 -9.206 -0.004 270 2HB LEU 40 2HB LEU 40 -13.670 -7.159 -1.334 271 HG LEU 40 HG LEU 40 -14.545 -6.779 1.531 272 1HD1 LEU 40 1HD1 LEU 40 -14.508 -4.748 -0.703 273 2HD1 LEU 40 2HD1 LEU 40 -15.637 -4.647 0.670 274 3HD1 LEU 40 3HD1 LEU 40 -13.881 -4.595 0.956 275 1HD2 LEU 40 1HD2 LEU 40 -15.730 -8.045 -0.637 276 2HD2 LEU 40 2HD2 LEU 40 -16.535 -7.510 0.857 277 3HD2 LEU 40 3HD2 LEU 40 -16.527 -6.454 -0.576 278 H GLU 41 H GLU 41 -10.515 -8.059 0.528 279 HA GLU 41 HA GLU 41 -9.506 -8.751 -1.911 280 2HB GLU 41 2HB GLU 41 -8.175 -8.872 0.831 281 2HG GLU 41 2HG GLU 41 -6.480 -8.171 -1.453 282 HE2 GLU 41 HE GLU 41 -5.517 -7.832 0.658 283 H SER 42 H SER 42 -9.786 -10.766 1.094 284 HA SER 42 HA SER 42 -8.549 -12.998 0.146 285 2HB SER 42 2HB SER 42 -11.023 -13.226 1.872 286 HG SER 42 HG SER 42 -10.039 -15.020 2.481 287 H MET 43 H MET 43 -12.006 -11.972 -0.162 288 HA MET 43 HA MET 43 -12.790 -14.322 -1.475 289 2HB MET 43 2HB MET 43 -14.786 -12.755 -2.134 290 2HG MET 43 2HG MET 43 -14.422 -12.436 0.810 291 1HE MET 43 1HE MET 43 -15.683 -15.377 0.672 292 2HE MET 43 2HE MET 43 -17.396 -15.089 1.058 293 3HE MET 43 3HE MET 43 -16.923 -15.565 -0.590 294 H GLY 44 H GLY 44 -11.850 -11.016 -2.608 295 1HA GLY 44 1HA GLY 44 -10.581 -10.759 -4.591 296 2HA GLY 44 2HA GLY 44 -11.352 -12.179 -5.270 297 H LYS 45 H LYS 45 -12.782 -9.314 -3.558 298 HA LYS 45 HA LYS 45 -14.517 -8.969 -5.891 299 2HB LYS 45 2HB LYS 45 -16.149 -8.118 -4.468 300 2HG LYS 45 2HG LYS 45 -16.202 -9.647 -2.460 301 2HD LYS 45 2HD LYS 45 -15.186 -11.521 -4.502 302 2HE LYS 45 2HE LYS 45 -17.211 -11.460 -2.589 303 1HZ LYS 45 1HZ LYS 45 -18.381 -10.181 -4.606 304 2HZ LYS 45 2HZ LYS 45 -18.711 -11.706 -5.073 305 H ALA 46 H ALA 46 -12.596 -7.086 -3.452 306 HA ALA 46 HA ALA 46 -12.559 -4.863 -5.343 307 1HB ALA 46 1HB ALA 46 -13.024 -3.890 -3.333 308 2HB ALA 46 2HB ALA 46 -12.307 -5.227 -2.402 309 3HB ALA 46 3HB ALA 46 -11.260 -3.977 -3.117 310 H VAL 47 H VAL 47 -10.326 -3.646 -5.365 311 HA VAL 47 HA VAL 47 -8.156 -5.611 -5.390 312 HB VAL 47 HB VAL 47 -7.388 -4.626 -7.533 313 1HG1 VAL 47 1HG1 VAL 47 -10.016 -5.605 -8.368 314 2HG1 VAL 47 2HG1 VAL 47 -8.400 -6.314 -8.604 315 3HG1 VAL 47 3HG1 VAL 47 -9.285 -6.603 -7.088 316 1HG2 VAL 47 1HG2 VAL 47 -8.962 -3.348 -8.918 317 2HG2 VAL 47 2HG2 VAL 47 -10.135 -3.331 -7.579 318 3HG2 VAL 47 3HG2 VAL 47 -8.579 -2.483 -7.410 319 H ARG 48 H ARG 48 -5.987 -4.577 -5.304 320 HA ARG 48 HA ARG 48 -6.188 -2.241 -3.643 321 2HB ARG 48 2HB ARG 48 -3.723 -3.900 -4.380 322 2HG ARG 48 2HG ARG 48 -3.607 -1.475 -3.278 323 2HD ARG 48 2HD ARG 48 -4.978 -3.106 -1.246 324 HE ARG 48 HE ARG 48 -2.989 -1.586 0.176 325 1HH1 ARG 48 2HH2 ARG 48 -3.404 -4.679 -1.501 326 2HH1 ARG 48 1HH2 ARG 48 -2.180 -5.485 -0.580 327 2HH2 ARG 48 1HH ARG 48 -0.999 -4.272 1.117 328 H ILE 49 H ILE 49 -5.269 -0.202 -4.165 329 HA ILE 49 HA ILE 49 -4.132 -0.022 -6.869 330 HB ILE 49 HB ILE 49 -6.100 1.780 -5.471 331 2HG1 ILE 49 2HG1 ILE 49 -6.163 -0.020 -7.870 332 1HG2 ILE 49 1HG2 ILE 49 -4.596 3.335 -6.361 333 2HG2 ILE 49 2HG2 ILE 49 -4.297 2.355 -7.818 334 3HG2 ILE 49 3HG2 ILE 49 -5.859 3.180 -7.605 335 1HD1 ILE 49 1HD1 ILE 49 -7.158 -0.771 -5.728 336 2HD1 ILE 49 2HD1 ILE 49 -8.145 0.709 -5.664 337 3HD1 ILE 49 3HD1 ILE 49 -8.424 -0.492 -6.948 338 H GLN 50 H GLN 50 -2.402 1.476 -7.165 339 HA GLN 50 HA GLN 50 -1.181 2.202 -4.620 340 2HB GLN 50 2HB GLN 50 0.029 1.489 -7.318 341 2HG GLN 50 2HG GLN 50 1.242 2.890 -4.916 342 1HE2 GLN 50 1HE2 GLN 50 2.789 1.823 -3.948 343 2HE2 GLN 50 2HE2 GLN 50 4.021 0.857 -4.690 344 H GLU 51 H GLU 51 -0.039 4.288 -4.494 345 HA GLU 51 HA GLU 51 -1.161 6.175 -6.416 346 2HB GLU 51 2HB GLU 51 -0.289 7.550 -4.062 347 2HG GLU 51 2HG GLU 51 -3.179 6.923 -4.294 348 HE2 GLU 51 HE GLU 51 -1.475 10.456 -4.748 349 H GLU 52 H GLU 52 0.256 8.299 -6.529 350 HA GLU 52 HA GLU 52 2.532 7.805 -7.771 351 2HB GLU 52 2HB GLU 52 3.260 10.164 -6.728 352 2HG GLU 52 2HG GLU 52 1.000 10.976 -8.132 353 HE2 GLU 52 HE GLU 52 3.692 8.996 -9.330 354 HA PRO 53 HA PRO 53 5.111 6.194 -4.599 355 2HB PRO 53 2HB PRO 53 5.711 4.370 -5.870 356 2HG PRO 53 2HG PRO 53 5.225 4.559 -8.117 357 2HD PRO 53 2HD PRO 53 3.515 6.093 -8.037 358 H ASP 54 H ASP 54 7.893 6.206 -4.652 359 HA ASP 54 HA ASP 54 8.264 9.095 -4.548 360 2HB ASP 54 2HB ASP 54 10.329 8.106 -3.050 361 HD2 ASP 54 HD ASP 54 7.588 7.484 -0.911 362 H GLY 55 H GLY 55 10.729 9.694 -4.875 363 1HA GLY 55 1HA GLY 55 11.797 8.024 -7.066 364 2HA GLY 55 2HA GLY 55 11.988 9.759 -6.921 365 H CYS 56 H CYS 56 12.862 6.603 -5.422 366 HA CYS 56 HA CYS 56 15.271 7.925 -4.411 367 2HB CYS 56 2HB CYS 56 13.829 7.477 -2.504 368 HG CYS 56 HG CYS 56 13.182 5.018 -4.307 369 H LEU 57 H LEU 57 16.761 5.736 -3.670 370 HA LEU 57 HA LEU 57 16.525 3.593 -5.527 371 2HB LEU 57 2HB LEU 57 17.410 5.531 -6.908 372 HG LEU 57 HG LEU 57 19.779 5.946 -6.915 373 1HD1 LEU 57 1HD1 LEU 57 18.967 6.455 -4.060 374 2HD1 LEU 57 2HD1 LEU 57 19.918 7.478 -5.163 375 3HD1 LEU 57 3HD1 LEU 57 18.167 7.285 -5.417 376 1HD2 LEU 57 1HD2 LEU 57 21.331 4.763 -5.827 377 2HD2 LEU 57 2HD2 LEU 57 20.424 4.796 -4.296 378 3HD2 LEU 57 3HD2 LEU 57 20.031 3.582 -5.536 379 H SER 58 H SER 58 18.003 1.868 -5.021 380 HA SER 58 HA SER 58 19.941 2.312 -2.998 381 2HB SER 58 2HB SER 58 18.190 0.207 -1.980 382 HG SER 58 HG SER 58 18.217 2.156 -0.239 383 H GLY 59 H GLY 59 17.776 -0.237 -4.440 384 1HA GLY 59 1HA GLY 59 18.240 -2.180 -5.467 385 2HA GLY 59 2HA GLY 59 19.743 -1.446 -5.993 386 H SER 60 H SER 60 18.414 -3.986 -4.215 387 HA SER 60 HA SER 60 20.926 -4.848 -3.374 388 2HB SER 60 2HB SER 60 19.228 -4.490 -0.939 389 HG SER 60 HG SER 60 22.024 -4.435 -1.618 390 H CYS 61 H CYS 61 20.587 -6.926 -1.859 391 HA CYS 61 HA CYS 61 17.976 -8.100 -2.310 392 2HB CYS 61 2HB CYS 61 20.066 -10.019 -2.998 393 HG CYS 61 HG CYS 61 17.676 -10.769 -3.261 394 H LYS 62 H LYS 62 17.844 -10.247 -1.036 395 HA LYS 62 HA LYS 62 18.142 -11.437 0.802 396 2HB LYS 62 2HB LYS 62 20.935 -10.260 0.916 397 2HG LYS 62 2HG LYS 62 20.152 -12.993 1.913 398 2HD LYS 62 2HD LYS 62 22.503 -11.484 1.873 399 2HE LYS 62 2HE LYS 62 20.969 -10.926 4.359 400 1HZ LYS 62 1HZ LYS 62 23.038 -12.637 4.692 401 2HZ LYS 62 2HZ LYS 62 23.793 -11.206 4.881 402 H SER 63 H SER 63 20.048 -8.437 1.567 403 HA SER 63 HA SER 63 19.229 -8.142 4.094 404 2HB SER 63 2HB SER 63 20.913 -6.695 3.097 405 HG SER 63 HG SER 63 18.756 -5.371 1.691 406 H CYS 64 H CYS 64 17.335 -7.631 5.168 407 HA CYS 64 HA CYS 64 15.372 -5.968 4.047 408 2HB CYS 64 2HB CYS 64 14.123 -8.636 4.343 409 HG CYS 64 HG CYS 64 13.120 -7.808 1.810 410 HA PRO 65 HA PRO 65 15.259 -6.294 8.491 411 2HB PRO 65 2HB PRO 65 16.240 -4.243 8.851 412 2HG PRO 65 2HG PRO 65 16.379 -2.900 6.980 413 2HD PRO 65 2HD PRO 65 16.319 -4.496 5.327 414 H GLU 66 H GLU 66 13.447 -4.855 10.041 415 HA GLU 66 HA GLU 66 10.972 -5.877 8.880 416 2HB GLU 66 2HB GLU 66 11.622 -7.336 10.713 417 2HG GLU 66 2HG GLU 66 11.411 -5.542 12.963 418 HE2 GLU 66 HE GLU 66 14.702 -7.735 12.206 419 H GLY 67 H GLY 67 9.839 -4.090 8.218 420 1HA GLY 67 1HA GLY 67 8.439 -2.392 9.612 421 2HA GLY 67 2HA GLY 67 10.009 -1.646 9.832 422 H LYS 68 H LYS 68 7.883 -2.982 7.204 423 HA LYS 68 HA LYS 68 9.135 -1.182 5.311 424 2HB LYS 68 2HB LYS 68 7.506 -2.364 3.728 425 2HG LYS 68 2HG LYS 68 9.092 -4.559 4.894 426 2HD LYS 68 2HD LYS 68 10.302 -4.239 2.654 427 2HE LYS 68 2HE LYS 68 7.417 -4.333 1.922 428 1HZ LYS 68 1HZ LYS 68 8.263 -5.898 0.558 429 2HZ LYS 68 2HZ LYS 68 9.753 -5.455 1.043 430 H ALA 69 H ALA 69 7.354 -0.160 3.695 431 HA ALA 69 HA ALA 69 4.933 0.680 4.836 432 1HB ALA 69 1HB ALA 69 5.924 2.116 6.349 433 2HB ALA 69 2HB ALA 69 7.369 2.358 5.339 434 3HB ALA 69 3HB ALA 69 5.849 3.189 4.931 435 H CYS 70 H CYS 70 3.919 0.428 2.884 436 HA CYS 70 HA CYS 70 5.233 1.508 0.536 437 2HB CYS 70 2HB CYS 70 3.062 0.433 -0.530 438 HG CYS 70 HG CYS 70 4.239 -2.153 -0.157 439 H LEU 71 H LEU 71 3.795 2.832 -1.004 440 HA LEU 71 HA LEU 71 2.841 5.082 0.299 441 2HB LEU 71 2HB LEU 71 1.681 5.340 -2.079 442 HG LEU 71 HG LEU 71 3.784 6.086 -3.094 443 1HD1 LEU 71 1HD1 LEU 71 4.173 7.913 -1.678 444 2HD1 LEU 71 2HD1 LEU 71 2.497 7.422 -1.332 445 3HD1 LEU 71 3HD1 LEU 71 3.805 6.974 -0.211 446 1HD2 LEU 71 1HD2 LEU 71 5.854 5.961 -1.530 447 2HD2 LEU 71 2HD2 LEU 71 5.009 4.573 -0.803 448 3HD2 LEU 71 3HD2 LEU 71 5.428 4.554 -2.533 449 H ARG 72 H ARG 72 0.570 5.977 0.199 450 HA ARG 72 HA ARG 72 -1.109 4.227 1.521 451 2HB ARG 72 2HB ARG 72 -2.771 6.267 0.532 452 2HG ARG 72 2HG ARG 72 -1.228 7.228 2.797 453 2HD ARG 72 2HD ARG 72 -3.626 6.012 3.693 454 HE ARG 72 HE ARG 72 -3.877 8.768 2.807 455 1HH1 ARG 72 2HH2 ARG 72 -2.225 6.704 5.167 456 2HH1 ARG 72 1HH2 ARG 72 -1.989 7.985 6.307 457 2HH2 ARG 72 1HH ARG 72 -2.785 10.184 5.784 458 H GLU 73 H GLU 73 -1.419 2.329 0.188 459 HA GLU 73 HA GLU 73 -2.220 2.484 -2.464 460 2HB GLU 73 2HB GLU 73 -2.813 0.077 -2.179 461 2HG GLU 73 2HG GLU 73 -0.259 1.312 -1.513 462 HE2 GLU 73 HE GLU 73 -0.595 -2.211 -0.895 463 H TRP 74 H TRP 74 -4.218 2.703 -3.454 464 HA TRP 74 HA TRP 74 -6.427 3.363 -1.693 465 2HB TRP 74 2HB TRP 74 -7.509 3.961 -3.920 466 HD1 TRP 74 HD TRP 74 -5.694 5.290 -1.244 467 HE1 TRP 74 1HE TRP 74 -5.035 7.841 -1.399 468 HE3 TRP 74 3HE TRP 74 -6.365 5.702 -6.268 469 HZ2 TRP 74 2HZ TRP 74 -4.871 9.702 -3.556 470 HZ3 TRP 74 3HZ TRP 74 -5.934 7.920 -7.320 471 HH2 TRP 74 HH TRP 74 -5.211 9.879 -6.048 472 H TRP 75 H TRP 75 -8.652 2.441 -2.354 473 HA TRP 75 HA TRP 75 -8.318 -0.363 -3.176 474 2HB TRP 75 2HB TRP 75 -10.302 -0.792 -1.662 475 HD1 TRP 75 HD TRP 75 -7.990 1.085 0.720 476 HE1 TRP 75 1HE TRP 75 -6.331 -0.544 1.966 477 HE3 TRP 75 3HE TRP 75 -9.066 -3.009 -2.095 478 HZ2 TRP 75 2HZ TRP 75 -5.669 -3.301 1.642 479 HZ3 TRP 75 3HZ TRP 75 -7.869 -5.130 -1.565 480 HH2 TRP 75 HH TRP 75 -6.221 -5.317 0.231 481 H ALA 76 H ALA 76 -10.111 -1.230 -4.438 482 HA ALA 76 HA ALA 76 -12.192 0.597 -5.236 483 1HB ALA 76 1HB ALA 76 -11.508 1.037 -7.374 484 2HB ALA 76 2HB ALA 76 -9.894 0.829 -6.653 485 3HB ALA 76 3HB ALA 76 -10.655 -0.516 -7.536 486 H LEU 77 H LEU 77 -13.548 -0.631 -7.070 487 HA LEU 77 HA LEU 77 -13.839 -3.350 -6.042 488 2HB LEU 77 2HB LEU 77 -16.086 -3.255 -6.790 489 HG LEU 77 HG LEU 77 -15.492 -0.491 -5.699 490 1HD1 LEU 77 1HD1 LEU 77 -17.847 -1.372 -6.738 491 2HD1 LEU 77 2HD1 LEU 77 -18.029 -1.838 -5.030 492 3HD1 LEU 77 3HD1 LEU 77 -17.697 -0.143 -5.459 493 1HD2 LEU 77 1HD2 LEU 77 -14.724 -1.581 -3.904 494 2HD2 LEU 77 2HD2 LEU 77 -16.429 -1.986 -3.595 495 3HD2 LEU 77 3HD2 LEU 77 -15.380 -3.143 -4.450 496 H ARG 78 H ARG 78 -14.261 -5.121 -7.576 497 HA ARG 78 HA ARG 78 -12.579 -4.753 -9.876 498 2HB ARG 78 2HB ARG 78 -13.922 -7.302 -8.845 499 2HG ARG 78 2HG ARG 78 -12.972 -7.236 -11.244 500 2HD ARG 78 2HD ARG 78 -10.247 -7.522 -10.015 501 HE ARG 78 HE ARG 78 -11.364 -7.072 -12.651 502 1HH1 ARG 78 2HH2 ARG 78 -8.498 -6.417 -10.673 503 2HH1 ARG 78 1HH2 ARG 78 -7.439 -6.269 -12.035 504 2HH2 ARG 78 1HH ARG 78 -8.324 -6.543 -14.246 Start of MODEL 14 1 1H MET 1 H MET 1 -27.851 0.297 10.392 2 HA MET 1 HA MET 1 -25.616 1.780 10.910 3 2HB MET 1 2HB MET 1 -24.958 -1.055 10.882 4 2HG MET 1 2HG MET 1 -25.884 -0.345 13.462 5 1HE MET 1 1HE MET 1 -24.806 -1.491 14.745 6 2HE MET 1 2HE MET 1 -23.821 -2.683 13.863 7 3HE MET 1 3HE MET 1 -23.054 -1.592 15.042 8 H ALA 2 H ALA 2 -23.252 0.855 10.369 9 HA ALA 2 HA ALA 2 -22.766 1.437 7.709 10 1HB ALA 2 1HB ALA 2 -20.808 -0.325 9.065 11 2HB ALA 2 2HB ALA 2 -20.597 1.300 8.372 12 3HB ALA 2 3HB ALA 2 -21.289 1.110 10.001 13 H SER 3 H SER 3 -21.079 -0.515 6.649 14 HA SER 3 HA SER 3 -21.723 -3.075 6.695 15 2HB SER 3 2HB SER 3 -24.028 -2.937 6.314 16 HG SER 3 HG SER 3 -24.418 -1.408 4.158 17 H LEU 4 H LEU 4 -21.231 -4.230 4.501 18 HA LEU 4 HA LEU 4 -18.976 -2.966 3.372 19 2HB LEU 4 2HB LEU 4 -19.658 -5.065 1.704 20 HG LEU 4 HG LEU 4 -18.108 -6.456 2.967 21 1HD1 LEU 4 1HD1 LEU 4 -16.787 -5.205 1.627 22 2HD1 LEU 4 2HD1 LEU 4 -17.446 -3.662 2.222 23 3HD1 LEU 4 3HD1 LEU 4 -16.231 -4.541 3.182 24 1HD2 LEU 4 1HD2 LEU 4 -17.696 -6.263 5.147 25 2HD2 LEU 4 2HD2 LEU 4 -17.367 -4.519 5.013 26 3HD2 LEU 4 3HD2 LEU 4 -19.040 -5.097 5.198 27 H ILE 5 H ILE 5 -22.385 -3.446 2.323 28 HA ILE 5 HA ILE 5 -22.179 -2.655 -0.281 29 HB ILE 5 HB ILE 5 -24.427 -1.889 1.576 30 2HG1 ILE 5 2HG1 ILE 5 -23.414 -4.545 0.859 31 1HG2 ILE 5 1HG2 ILE 5 -24.190 -2.362 -1.393 32 2HG2 ILE 5 2HG2 ILE 5 -25.751 -2.464 -0.542 33 3HG2 ILE 5 3HG2 ILE 5 -24.827 -0.942 -0.528 34 1HD1 ILE 5 1HD1 ILE 5 -25.735 -4.433 2.609 35 2HD1 ILE 5 2HD1 ILE 5 -24.058 -4.885 3.002 36 3HD1 ILE 5 3HD1 ILE 5 -24.560 -3.178 3.070 37 H GLN 6 H GLN 6 -22.205 -0.657 2.701 38 HA GLN 6 HA GLN 6 -22.520 1.782 1.468 39 2HB GLN 6 2HB GLN 6 -20.903 2.354 3.639 40 2HG GLN 6 2HG GLN 6 -23.705 1.551 4.293 41 1HE2 GLN 6 1HE2 GLN 6 -21.559 4.294 3.526 42 2HE2 GLN 6 2HE2 GLN 6 -21.775 5.162 5.009 43 H VAL 7 H VAL 7 -19.531 -0.114 2.217 44 HA VAL 7 HA VAL 7 -17.810 1.884 1.147 45 HB VAL 7 HB VAL 7 -17.334 -1.041 1.759 46 1HG1 VAL 7 1HG1 VAL 7 -15.282 -0.736 0.944 47 2HG1 VAL 7 2HG1 VAL 7 -15.662 0.958 0.550 48 3HG1 VAL 7 3HG1 VAL 7 -15.007 0.542 2.152 49 1HG2 VAL 7 1HG2 VAL 7 -18.185 0.231 3.705 50 2HG2 VAL 7 2HG2 VAL 7 -16.499 -0.296 3.923 51 3HG2 VAL 7 3HG2 VAL 7 -16.855 1.397 3.507 52 H ARG 8 H ARG 8 -19.132 -1.283 -0.008 53 HA ARG 8 HA ARG 8 -17.782 -1.395 -2.356 54 2HB ARG 8 2HB ARG 8 -19.976 -2.622 -3.165 55 2HG ARG 8 2HG ARG 8 -19.060 -3.796 -0.561 56 2HD ARG 8 2HD ARG 8 -20.365 -4.962 -2.504 57 HE ARG 8 HE ARG 8 -18.110 -4.155 -3.994 58 1HH1 ARG 8 2HH2 ARG 8 -19.825 -7.184 -3.336 59 2HH1 ARG 8 1HH2 ARG 8 -19.385 -7.906 -4.848 60 2HH2 ARG 8 1HH ARG 8 -18.036 -6.667 -6.392 61 H ASP 9 H ASP 9 -20.803 0.383 -1.517 62 HA ASP 9 HA ASP 9 -21.387 1.144 -4.135 63 2HB ASP 9 2HB ASP 9 -22.088 2.772 -1.666 64 HD2 ASP 9 HD ASP 9 -23.586 4.177 -2.136 65 H LEU 10 H LEU 10 -19.791 2.804 -1.315 66 HA LEU 10 HA LEU 10 -19.271 5.214 -2.594 67 2HB LEU 10 2HB LEU 10 -17.215 4.844 -0.770 68 HG LEU 10 HG LEU 10 -18.491 6.109 0.813 69 1HD1 LEU 10 1HD1 LEU 10 -17.981 6.944 -1.785 70 2HD1 LEU 10 2HD1 LEU 10 -19.656 7.469 -1.485 71 3HD1 LEU 10 3HD1 LEU 10 -18.354 7.981 -0.386 72 1HD2 LEU 10 1HD2 LEU 10 -20.978 6.629 0.083 73 2HD2 LEU 10 2HD2 LEU 10 -20.842 5.028 -0.681 74 3HD2 LEU 10 3HD2 LEU 10 -20.574 5.203 1.070 75 H LEU 11 H LEU 11 -17.217 2.245 -2.245 76 HA LEU 11 HA LEU 11 -15.021 3.219 -3.610 77 2HB LEU 11 2HB LEU 11 -14.980 0.572 -4.197 78 HG LEU 11 HG LEU 11 -14.482 1.592 -1.389 79 1HD1 LEU 11 1HD1 LEU 11 -13.645 -0.852 -2.924 80 2HD1 LEU 11 2HD1 LEU 11 -12.624 -0.211 -1.615 81 3HD1 LEU 11 3HD1 LEU 11 -14.298 -0.712 -1.273 82 1HD2 LEU 11 1HD2 LEU 11 -12.983 2.042 -3.925 83 2HD2 LEU 11 2HD2 LEU 11 -13.156 3.077 -2.487 84 3HD2 LEU 11 3HD2 LEU 11 -12.042 1.689 -2.456 85 H ALA 12 H ALA 12 -18.205 2.257 -4.755 86 HA ALA 12 HA ALA 12 -17.288 1.990 -7.487 87 1HB ALA 12 1HB ALA 12 -20.100 2.077 -7.400 88 2HB ALA 12 2HB ALA 12 -19.075 0.622 -7.461 89 3HB ALA 12 3HB ALA 12 -19.617 1.264 -5.892 90 H LEU 13 H LEU 13 -19.639 4.099 -5.675 91 HA LEU 13 HA LEU 13 -19.995 5.912 -7.739 92 2HB LEU 13 2HB LEU 13 -20.535 7.452 -5.679 93 HG LEU 13 HG LEU 13 -22.354 6.571 -6.975 94 1HD1 LEU 13 1HD1 LEU 13 -23.172 4.327 -6.857 95 2HD1 LEU 13 2HD1 LEU 13 -21.424 4.258 -7.186 96 3HD1 LEU 13 3HD1 LEU 13 -22.035 3.920 -5.549 97 1HD2 LEU 13 1HD2 LEU 13 -22.963 7.485 -4.819 98 2HD2 LEU 13 2HD2 LEU 13 -24.017 6.105 -5.209 99 3HD2 LEU 13 3HD2 LEU 13 -22.692 5.909 -4.037 100 H ARG 14 H ARG 14 -17.858 6.227 -4.811 101 HA ARG 14 HA ARG 14 -16.607 8.488 -5.915 102 2HB ARG 14 2HB ARG 14 -14.903 7.915 -3.964 103 2HG ARG 14 2HG ARG 14 -16.397 9.703 -3.538 104 2HD ARG 14 2HD ARG 14 -18.667 7.653 -3.567 105 HE ARG 14 HE ARG 14 -18.584 10.484 -2.729 106 1HH1 ARG 14 2HH2 ARG 14 -20.610 7.766 -3.760 107 2HH1 ARG 14 1HH2 ARG 14 -22.064 8.441 -3.106 108 2HH2 ARG 14 1HH ARG 14 -21.978 10.564 -1.997 109 H GLY 15 H GLY 15 -16.362 5.142 -6.547 110 1HA GLY 15 1HA GLY 15 -14.970 3.959 -7.863 111 2HA GLY 15 2HA GLY 15 -14.164 5.449 -8.305 112 H ARG 16 H ARG 16 -12.028 4.640 -8.167 113 HA ARG 16 HA ARG 16 -11.168 3.155 -5.973 114 2HB ARG 16 2HB ARG 16 -9.909 2.975 -8.015 115 2HG ARG 16 2HG ARG 16 -10.179 5.937 -8.001 116 2HD ARG 16 2HD ARG 16 -7.533 4.615 -8.357 117 HE ARG 16 HE ARG 16 -8.745 5.786 -10.668 118 1HH1 ARG 16 2HH2 ARG 16 -5.732 5.981 -8.813 119 2HH1 ARG 16 1HH2 ARG 16 -4.780 6.472 -10.175 120 2HH2 ARG 16 1HH ARG 16 -5.834 6.732 -12.311 121 H MET 17 H MET 17 -10.686 3.853 -3.912 122 HA MET 17 HA MET 17 -9.464 6.418 -3.581 123 2HB MET 17 2HB MET 17 -11.275 6.958 -1.751 124 2HG MET 17 2HG MET 17 -12.819 7.968 -3.428 125 1HE MET 17 1HE MET 17 -11.900 10.696 -4.184 126 2HE MET 17 2HE MET 17 -10.883 10.416 -5.617 127 3HE MET 17 3HE MET 17 -12.377 9.477 -5.390 128 H GLU 18 H GLU 18 -9.217 6.789 -0.994 129 HA GLU 18 HA GLU 18 -8.060 4.313 -0.097 130 2HB GLU 18 2HB GLU 18 -7.937 6.930 1.421 131 2HG GLU 18 2HG GLU 18 -6.622 4.346 1.519 132 HE2 GLU 18 HE GLU 18 -3.403 4.703 1.094 133 H ALA 19 H ALA 19 -8.308 3.725 2.310 134 HA ALA 19 HA ALA 19 -11.060 3.410 2.854 135 1HB ALA 19 1HB ALA 19 -10.091 2.483 5.051 136 2HB ALA 19 2HB ALA 19 -9.575 1.687 3.544 137 3HB ALA 19 3HB ALA 19 -8.489 2.838 4.360 138 H ALA 20 H ALA 20 -8.476 5.612 4.037 139 HA ALA 20 HA ALA 20 -9.646 6.680 6.235 140 1HB ALA 20 1HB ALA 20 -8.396 8.766 5.610 141 2HB ALA 20 2HB ALA 20 -7.419 7.283 5.477 142 3HB ALA 20 3HB ALA 20 -8.080 8.048 4.012 143 H GLN 21 H GLN 21 -10.432 7.283 2.782 144 HA GLN 21 HA GLN 21 -12.242 9.363 3.433 145 2HB GLN 21 2HB GLN 21 -12.915 8.543 0.872 146 2HG GLN 21 2HG GLN 21 -10.584 10.128 0.579 147 1HE2 GLN 21 1HE2 GLN 21 -12.790 9.471 -0.864 148 2HE2 GLN 21 2HE2 GLN 21 -13.810 10.848 -1.117 149 H ILE 22 H ILE 22 -12.559 5.920 2.319 150 HA ILE 22 HA ILE 22 -15.307 5.801 2.279 151 HB ILE 22 HB ILE 22 -13.233 3.703 2.905 152 2HG1 ILE 22 2HG1 ILE 22 -13.395 5.000 0.625 153 1HG2 ILE 22 1HG2 ILE 22 -15.605 2.547 1.845 154 2HG2 ILE 22 2HG2 ILE 22 -14.835 2.264 3.425 155 3HG2 ILE 22 3HG2 ILE 22 -16.062 3.542 3.248 156 1HD1 ILE 22 1HD1 ILE 22 -12.450 3.118 -0.454 157 2HD1 ILE 22 2HD1 ILE 22 -12.121 2.807 1.267 158 3HD1 ILE 22 3HD1 ILE 22 -13.466 1.973 0.453 159 H SER 23 H SER 23 -13.021 5.256 5.028 160 HA SER 23 HA SER 23 -14.884 4.471 6.862 161 2HB SER 23 2HB SER 23 -12.404 4.430 7.177 162 HG SER 23 HG SER 23 -11.588 6.537 8.178 163 H GLN 24 H GLN 24 -13.777 7.796 5.950 164 HA GLN 24 HA GLN 24 -15.185 9.158 7.874 165 2HB GLN 24 2HB GLN 24 -15.196 10.855 5.655 166 2HG GLN 24 2HG GLN 24 -13.368 10.272 7.953 167 1HE2 GLN 24 1HE2 GLN 24 -11.281 10.158 7.664 168 2HE2 GLN 24 2HE2 GLN 24 -10.319 11.090 6.567 169 H THR 25 H THR 25 -16.167 8.091 4.562 170 HA THR 25 HA THR 25 -18.575 9.340 4.320 171 HB THR 25 HB THR 25 -17.901 6.444 3.584 172 HG1 THR 25 1HG THR 25 -17.123 7.673 1.629 173 1HG2 THR 25 1HG2 THR 25 -19.215 7.944 1.515 174 2HG2 THR 25 2HG2 THR 25 -19.843 6.524 2.386 175 3HG2 THR 25 3HG2 THR 25 -20.171 8.162 3.002 176 H LEU 26 H LEU 26 -17.801 6.465 6.324 177 HA LEU 26 HA LEU 26 -20.549 6.632 7.348 178 2HB LEU 26 2HB LEU 26 -20.636 4.483 6.866 179 HG LEU 26 HG LEU 26 -17.645 4.563 6.474 180 1HD1 LEU 26 1HD1 LEU 26 -18.507 2.070 5.574 181 2HD1 LEU 26 2HD1 LEU 26 -17.500 2.408 7.002 182 3HD1 LEU 26 3HD1 LEU 26 -19.265 2.256 7.174 183 1HD2 LEU 26 1HD2 LEU 26 -19.539 3.579 4.405 184 2HD2 LEU 26 2HD2 LEU 26 -19.575 5.319 4.782 185 3HD2 LEU 26 3HD2 LEU 26 -18.059 4.555 4.246 186 H ASN 27 H ASN 27 -18.140 8.329 8.029 187 HA ASN 27 HA ASN 27 -16.924 8.938 9.754 188 2HB ASN 27 2HB ASN 27 -18.948 8.443 11.830 189 1HD2 ASN 27 1HD2 ASN 27 -17.345 9.660 12.873 190 2HD2 ASN 27 2HD2 ASN 27 -17.192 11.371 12.653 191 H THR 28 H THR 28 -16.696 6.048 9.182 192 HA THR 28 HA THR 28 -16.707 4.747 11.779 193 HB THR 28 HB THR 28 -17.113 3.959 9.099 194 HG1 THR 28 1HG THR 28 -17.952 2.919 11.005 195 1HG2 THR 28 1HG2 THR 28 -15.404 2.110 8.892 196 2HG2 THR 28 2HG2 THR 28 -14.680 3.725 8.700 197 3HG2 THR 28 3HG2 THR 28 -14.495 2.843 10.236 198 HA PRO 29 HA PRO 29 -12.528 5.231 12.615 199 2HB PRO 29 2HB PRO 29 -12.710 4.172 14.651 200 2HG PRO 29 2HG PRO 29 -14.465 2.683 14.809 201 2HD PRO 29 2HD PRO 29 -15.866 3.531 13.196 202 H GLN 30 H GLN 30 -10.578 5.280 11.630 203 HA GLN 30 HA GLN 30 -10.321 4.208 9.195 204 2HB GLN 30 2HB GLN 30 -7.767 4.218 10.701 205 2HG GLN 30 2HG GLN 30 -7.350 6.090 8.986 206 1HE2 GLN 30 1HE2 GLN 30 -9.023 4.469 6.696 207 2HE2 GLN 30 2HE2 GLN 30 -7.929 3.181 6.312 208 HA PRO 31 HA PRO 31 -8.351 0.322 11.078 209 2HB PRO 31 2HB PRO 31 -7.091 0.604 12.985 210 2HG PRO 31 2HG PRO 31 -7.577 2.513 14.185 211 2HD PRO 31 2HD PRO 31 -8.474 3.824 12.523 212 H MET 32 H MET 32 -10.754 0.560 10.000 213 HA MET 32 HA MET 32 -12.087 -1.631 11.334 214 2HB MET 32 2HB MET 32 -13.693 0.766 10.338 215 2HG MET 32 2HG MET 32 -14.592 -1.656 11.074 216 1HE MET 32 1HE MET 32 -15.598 0.315 14.857 217 2HE MET 32 2HE MET 32 -16.312 0.271 13.227 218 3HE MET 32 3HE MET 32 -16.541 -1.102 14.337 219 H ILE 33 H ILE 33 -12.087 0.678 8.536 220 HA ILE 33 HA ILE 33 -13.465 -1.138 6.843 221 HB ILE 33 HB ILE 33 -11.935 1.414 6.364 222 2HG1 ILE 33 2HG1 ILE 33 -14.256 2.270 5.898 223 1HG2 ILE 33 1HG2 ILE 33 -13.643 0.844 4.175 224 2HG2 ILE 33 2HG2 ILE 33 -11.869 0.991 4.190 225 3HG2 ILE 33 3HG2 ILE 33 -12.633 -0.595 4.448 226 1HD1 ILE 33 1HD1 ILE 33 -15.038 -0.333 5.833 227 2HD1 ILE 33 2HD1 ILE 33 -15.351 0.026 7.548 228 3HD1 ILE 33 3HD1 ILE 33 -16.139 0.994 6.279 229 H ASN 34 H ASN 34 -10.070 -0.489 7.685 230 HA ASN 34 HA ASN 34 -8.860 -1.641 5.528 231 2HB ASN 34 2HB ASN 34 -7.041 -2.266 7.335 232 1HD2 ASN 34 1HD2 ASN 34 -8.193 0.663 8.624 233 2HD2 ASN 34 2HD2 ASN 34 -7.312 1.779 7.635 234 H ALA 35 H ALA 35 -10.334 -3.057 8.491 235 HA ALA 35 HA ALA 35 -9.358 -5.678 8.093 236 1HB ALA 35 1HB ALA 35 -11.824 -4.726 9.604 237 2HB ALA 35 2HB ALA 35 -10.945 -6.254 9.848 238 3HB ALA 35 3HB ALA 35 -10.168 -4.706 10.257 239 H MET 36 H MET 36 -12.433 -3.968 7.245 240 HA MET 36 HA MET 36 -13.674 -6.209 6.184 241 2HB MET 36 2HB MET 36 -15.260 -4.586 5.267 242 2HG MET 36 2HG MET 36 -14.603 -2.708 7.355 243 1HE MET 36 1HE MET 36 -17.285 -4.869 9.592 244 2HE MET 36 2HE MET 36 -15.603 -4.292 9.646 245 3HE MET 36 3HE MET 36 -16.944 -3.122 9.600 246 H LEU 37 H LEU 37 -11.788 -3.546 4.591 247 HA LEU 37 HA LEU 37 -12.080 -4.408 1.991 248 2HB LEU 37 2HB LEU 37 -9.810 -3.235 1.711 249 HG LEU 37 HG LEU 37 -12.244 -1.866 2.841 250 1HD1 LEU 37 1HD1 LEU 37 -9.586 -0.596 2.163 251 2HD1 LEU 37 2HD1 LEU 37 -11.119 0.307 2.204 252 3HD1 LEU 37 3HD1 LEU 37 -10.512 -0.483 3.679 253 1HD2 LEU 37 1HD2 LEU 37 -11.649 -2.816 0.330 254 2HD2 LEU 37 2HD2 LEU 37 -12.859 -1.569 0.714 255 3HD2 LEU 37 3HD2 LEU 37 -11.222 -1.092 0.206 256 H GLN 38 H GLN 38 -9.800 -5.469 4.559 257 HA GLN 38 HA GLN 38 -8.179 -6.992 2.935 258 2HB GLN 38 2HB GLN 38 -8.671 -8.088 5.649 259 2HG GLN 38 2HG GLN 38 -6.114 -6.776 5.203 260 1HE2 GLN 38 1HE2 GLN 38 -4.919 -9.240 4.214 261 2HE2 GLN 38 2HE2 GLN 38 -5.001 -10.408 5.490 262 H GLN 39 H GLN 39 -11.268 -7.774 4.623 263 HA GLN 39 HA GLN 39 -11.242 -10.481 4.133 264 2HB GLN 39 2HB GLN 39 -13.903 -9.164 3.997 265 2HG GLN 39 2HG GLN 39 -12.507 -11.257 5.706 266 1HE2 GLN 39 1HE2 GLN 39 -13.912 -12.399 7.189 267 2HE2 GLN 39 2HE2 GLN 39 -15.087 -11.532 8.121 268 H LEU 40 H LEU 40 -12.731 -7.784 2.206 269 HA LEU 40 HA LEU 40 -13.809 -9.320 0.199 270 2HB LEU 40 2HB LEU 40 -13.738 -7.296 -1.145 271 HG LEU 40 HG LEU 40 -14.337 -6.768 1.773 272 1HD1 LEU 40 1HD1 LEU 40 -14.844 -4.622 1.394 273 2HD1 LEU 40 2HD1 LEU 40 -13.804 -4.784 -0.042 274 3HD1 LEU 40 3HD1 LEU 40 -15.567 -4.969 -0.194 275 1HD2 LEU 40 1HD2 LEU 40 -15.664 -8.421 0.162 276 2HD2 LEU 40 2HD2 LEU 40 -16.483 -7.401 1.369 277 3HD2 LEU 40 3HD2 LEU 40 -16.435 -6.897 -0.338 278 H GLU 41 H GLU 41 -10.455 -8.038 0.570 279 HA GLU 41 HA GLU 41 -9.521 -8.763 -1.888 280 2HB GLU 41 2HB GLU 41 -8.052 -8.786 0.786 281 2HG GLU 41 2HG GLU 41 -6.525 -7.985 -1.577 282 HE2 GLU 41 HE GLU 41 -6.229 -10.159 1.566 283 H SER 42 H SER 42 -9.472 -10.691 1.195 284 HA SER 42 HA SER 42 -8.249 -12.904 0.190 285 2HB SER 42 2HB SER 42 -10.521 -13.186 2.164 286 HG SER 42 HG SER 42 -9.241 -15.040 1.904 287 H MET 43 H MET 43 -11.758 -12.024 0.216 288 HA MET 43 HA MET 43 -12.609 -14.435 -0.902 289 2HB MET 43 2HB MET 43 -14.669 -12.916 -1.497 290 2HG MET 43 2HG MET 43 -14.104 -12.439 1.387 291 1HE MET 43 1HE MET 43 -17.232 -13.859 2.687 292 2HE MET 43 2HE MET 43 -16.525 -15.320 1.958 293 3HE MET 43 3HE MET 43 -15.476 -14.134 2.774 294 H GLY 44 H GLY 44 -11.862 -11.191 -2.332 295 1HA GLY 44 1HA GLY 44 -10.756 -11.059 -4.429 296 2HA GLY 44 2HA GLY 44 -11.565 -12.527 -4.945 297 H LYS 45 H LYS 45 -12.928 -9.615 -3.268 298 HA LYS 45 HA LYS 45 -14.840 -9.415 -5.475 299 2HB LYS 45 2HB LYS 45 -16.364 -8.493 -3.968 300 2HG LYS 45 2HG LYS 45 -15.961 -9.896 -1.756 301 2HD LYS 45 2HD LYS 45 -16.013 -11.642 -4.210 302 2HE LYS 45 2HE LYS 45 -18.175 -11.450 -2.117 303 1HZ LYS 45 1HZ LYS 45 -17.168 -14.015 -2.758 304 2HZ LYS 45 2HZ LYS 45 -18.656 -13.420 -3.050 305 H ALA 46 H ALA 46 -12.800 -7.349 -3.291 306 HA ALA 46 HA ALA 46 -12.955 -5.240 -5.296 307 1HB ALA 46 1HB ALA 46 -13.263 -4.155 -3.319 308 2HB ALA 46 2HB ALA 46 -12.474 -5.441 -2.374 309 3HB ALA 46 3HB ALA 46 -11.487 -4.229 -3.224 310 H VAL 47 H VAL 47 -10.718 -3.962 -5.461 311 HA VAL 47 HA VAL 47 -8.550 -5.921 -5.654 312 HB VAL 47 HB VAL 47 -7.957 -5.089 -7.845 313 1HG1 VAL 47 1HG1 VAL 47 -9.236 -6.718 -8.666 314 2HG1 VAL 47 2HG1 VAL 47 -10.296 -6.611 -7.239 315 3HG1 VAL 47 3HG1 VAL 47 -10.639 -5.622 -8.678 316 1HG2 VAL 47 1HG2 VAL 47 -8.572 -2.919 -8.157 317 2HG2 VAL 47 2HG2 VAL 47 -9.963 -3.690 -8.957 318 3HG2 VAL 47 3HG2 VAL 47 -10.110 -3.109 -7.281 319 H ARG 48 H ARG 48 -6.383 -4.885 -5.717 320 HA ARG 48 HA ARG 48 -6.433 -2.624 -3.971 321 2HB ARG 48 2HB ARG 48 -3.758 -3.105 -4.480 322 2HG ARG 48 2HG ARG 48 -4.765 -5.131 -2.637 323 2HD ARG 48 2HD ARG 48 -3.816 -2.631 -1.434 324 HE ARG 48 HE ARG 48 -3.158 -5.479 -1.352 325 1HH1 ARG 48 2HH2 ARG 48 -2.044 -2.246 -0.424 326 2HH1 ARG 48 1HH2 ARG 48 -1.045 -2.826 0.867 327 2HH2 ARG 48 1HH ARG 48 -0.941 -5.180 1.305 328 H ILE 49 H ILE 49 -5.639 -0.523 -4.473 329 HA ILE 49 HA ILE 49 -4.969 -0.126 -7.307 330 HB ILE 49 HB ILE 49 -6.582 1.586 -5.420 331 2HG1 ILE 49 2HG1 ILE 49 -8.380 1.271 -6.974 332 1HG2 ILE 49 1HG2 ILE 49 -6.681 3.283 -7.129 333 2HG2 ILE 49 2HG2 ILE 49 -4.979 2.965 -6.718 334 3HG2 ILE 49 3HG2 ILE 49 -5.671 2.303 -8.219 335 1HD1 ILE 49 1HD1 ILE 49 -7.521 -0.741 -8.738 336 2HD1 ILE 49 2HD1 ILE 49 -7.867 0.953 -9.162 337 3HD1 ILE 49 3HD1 ILE 49 -6.204 0.457 -8.766 338 H GLN 50 H GLN 50 -3.352 1.486 -7.787 339 HA GLN 50 HA GLN 50 -1.606 1.894 -5.489 340 2HB GLN 50 2HB GLN 50 -0.236 2.406 -7.964 341 2HG GLN 50 2HG GLN 50 0.650 -0.057 -7.104 342 1HE2 GLN 50 1HE2 GLN 50 1.620 1.038 -4.435 343 2HE2 GLN 50 2HE2 GLN 50 2.850 2.189 -4.835 344 H GLU 51 H GLU 51 -0.256 3.966 -5.571 345 HA GLU 51 HA GLU 51 -1.917 6.081 -6.704 346 2HB GLU 51 2HB GLU 51 -0.389 7.284 -4.707 347 2HG GLU 51 2HG GLU 51 -2.934 6.173 -3.714 348 HE2 GLU 51 HE GLU 51 -1.195 9.288 -4.732 349 H GLU 52 H GLU 52 -0.498 8.241 -6.918 350 HA GLU 52 HA GLU 52 1.209 7.905 -8.949 351 2HB GLU 52 2HB GLU 52 2.244 10.169 -8.048 352 2HG GLU 52 2HG GLU 52 -0.688 10.538 -8.314 353 HE2 GLU 52 HE GLU 52 1.394 12.584 -8.097 354 HA PRO 53 HA PRO 53 4.563 5.994 -6.779 355 2HB PRO 53 2HB PRO 53 4.460 4.050 -8.007 356 2HG PRO 53 2HG PRO 53 3.155 4.178 -9.906 357 2HD PRO 53 2HD PRO 53 1.753 5.903 -9.321 358 H ASP 54 H ASP 54 7.095 5.678 -7.891 359 HA ASP 54 HA ASP 54 8.931 6.782 -8.212 360 2HB ASP 54 2HB ASP 54 7.187 8.939 -9.495 361 HD2 ASP 54 HD ASP 54 8.391 10.571 -10.417 362 H GLY 55 H GLY 55 10.233 8.616 -7.297 363 1HA GLY 55 1HA GLY 55 9.189 10.864 -6.051 364 2HA GLY 55 2HA GLY 55 9.188 9.589 -4.849 365 H CYS 56 H CYS 56 11.064 12.003 -6.394 366 HA CYS 56 HA CYS 56 13.145 12.656 -6.163 367 2HB CYS 56 2HB CYS 56 14.152 10.749 -4.197 368 HG CYS 56 HG CYS 56 13.202 13.908 -3.959 369 H LEU 57 H LEU 57 15.500 11.889 -6.564 370 HA LEU 57 HA LEU 57 15.413 9.875 -8.586 371 2HB LEU 57 2HB LEU 57 18.062 10.516 -8.167 372 HG LEU 57 HG LEU 57 17.895 12.100 -9.998 373 1HD1 LEU 57 1HD1 LEU 57 17.203 10.628 -11.689 374 2HD1 LEU 57 2HD1 LEU 57 17.707 9.574 -10.345 375 3HD1 LEU 57 3HD1 LEU 57 15.977 9.864 -10.650 376 1HD2 LEU 57 1HD2 LEU 57 16.058 13.450 -9.639 377 2HD2 LEU 57 2HD2 LEU 57 15.500 12.422 -10.981 378 3HD2 LEU 57 3HD2 LEU 57 14.971 12.077 -9.316 379 H SER 58 H SER 58 16.985 8.018 -8.629 380 HA SER 58 HA SER 58 16.624 6.533 -6.268 381 2HB SER 58 2HB SER 58 18.505 5.783 -8.530 382 HG SER 58 HG SER 58 18.417 3.961 -7.408 383 H GLY 59 H GLY 59 19.590 7.700 -8.036 384 1HA GLY 59 1HA GLY 59 21.674 8.136 -7.323 385 2HA GLY 59 2HA GLY 59 20.938 8.669 -5.824 386 H SER 60 H SER 60 22.043 5.711 -7.590 387 HA SER 60 HA SER 60 22.173 4.314 -5.074 388 2HB SER 60 2HB SER 60 23.025 3.238 -7.785 389 HG SER 60 HG SER 60 23.293 1.533 -6.509 390 H CYS 61 H CYS 61 24.186 3.324 -4.292 391 HA CYS 61 HA CYS 61 26.632 3.581 -5.505 392 2HB CYS 61 2HB CYS 61 26.856 5.640 -3.433 393 HG CYS 61 HG CYS 61 28.369 6.929 -5.030 394 H LYS 62 H LYS 62 26.078 1.415 -4.420 395 HA LYS 62 HA LYS 62 26.473 -0.080 -2.845 396 2HB LYS 62 2HB LYS 62 28.016 1.446 -0.932 397 2HG LYS 62 2HG LYS 62 28.064 -1.075 -1.825 398 2HD LYS 62 2HD LYS 62 30.438 -0.793 -3.266 399 2HE LYS 62 2HE LYS 62 27.591 -1.504 -3.906 400 1HZ LYS 62 1HZ LYS 62 29.517 -0.571 -5.876 401 2HZ LYS 62 2HZ LYS 62 28.784 -1.978 -6.244 402 H SER 63 H SER 63 26.086 -0.595 -0.421 403 HA SER 63 HA SER 63 23.551 0.233 0.196 404 2HB SER 63 2HB SER 63 24.681 -1.837 1.044 405 HG SER 63 HG SER 63 25.920 -0.010 2.922 406 H CYS 64 H CYS 64 22.758 1.533 2.069 407 HA CYS 64 HA CYS 64 24.293 3.079 3.691 408 2HB CYS 64 2HB CYS 64 23.588 5.247 1.992 409 HG CYS 64 HG CYS 64 26.637 4.464 1.816 410 HA PRO 65 HA PRO 65 19.847 4.678 3.212 411 2HB PRO 65 2HB PRO 65 19.258 5.492 1.140 412 2HG PRO 65 2HG PRO 65 20.523 4.678 -0.609 413 2HD PRO 65 2HD PRO 65 22.444 4.098 0.513 414 H GLU 66 H GLU 66 17.366 3.551 2.645 415 HA GLU 66 HA GLU 66 17.752 0.860 3.673 416 2HB GLU 66 2HB GLU 66 15.392 2.203 4.813 417 2HG GLU 66 2HG GLU 66 17.325 1.372 6.769 418 HE2 GLU 66 HE GLU 66 15.321 -1.030 5.208 419 H GLY 67 H GLY 67 14.808 0.530 4.042 420 1HA GLY 67 1HA GLY 67 13.942 0.702 1.218 421 2HA GLY 67 2HA GLY 67 13.747 -0.750 2.178 422 H LYS 68 H LYS 68 12.544 2.489 1.507 423 HA LYS 68 HA LYS 68 10.846 2.715 3.746 424 2HB LYS 68 2HB LYS 68 9.801 4.167 1.527 425 2HG LYS 68 2HG LYS 68 10.410 4.623 4.165 426 2HD LYS 68 2HD LYS 68 12.073 6.744 3.612 427 2HE LYS 68 2HE LYS 68 12.738 3.909 4.513 428 1HZ LYS 68 1HZ LYS 68 14.758 5.002 3.693 429 2HZ LYS 68 2HZ LYS 68 14.478 6.316 4.612 430 H ALA 69 H ALA 69 8.307 3.026 3.183 431 HA ALA 69 HA ALA 69 7.483 0.374 2.412 432 1HB ALA 69 1HB ALA 69 6.624 1.666 4.422 433 2HB ALA 69 2HB ALA 69 5.788 2.744 3.278 434 3HB ALA 69 3HB ALA 69 5.363 1.017 3.345 435 H CYS 70 H CYS 70 5.142 0.530 1.144 436 HA CYS 70 HA CYS 70 5.924 1.629 -1.409 437 2HB CYS 70 2HB CYS 70 5.082 -0.682 -1.294 438 HG CYS 70 HG CYS 70 2.429 -1.160 -1.088 439 H LEU 71 H LEU 71 4.247 2.903 -2.688 440 HA LEU 71 HA LEU 71 3.435 5.141 -1.292 441 2HB LEU 71 2HB LEU 71 1.889 5.341 -3.420 442 HG LEU 71 HG LEU 71 3.730 6.081 -4.819 443 1HD1 LEU 71 1HD1 LEU 71 4.870 7.127 -2.368 444 2HD1 LEU 71 2HD1 LEU 71 3.906 7.945 -3.621 445 3HD1 LEU 71 3HD1 LEU 71 3.092 7.086 -2.291 446 1HD2 LEU 71 1HD2 LEU 71 5.489 4.645 -2.820 447 2HD2 LEU 71 2HD2 LEU 71 5.334 4.343 -4.567 448 3HD2 LEU 71 3HD2 LEU 71 6.092 5.846 -3.987 449 H ARG 72 H ARG 72 1.165 5.966 -0.990 450 HA ARG 72 HA ARG 72 -0.200 4.203 0.638 451 2HB ARG 72 2HB ARG 72 -2.105 6.092 0.121 452 2HG ARG 72 2HG ARG 72 -0.103 7.498 1.596 453 2HD ARG 72 2HD ARG 72 -1.737 5.785 3.282 454 HE ARG 72 HE ARG 72 -1.323 8.638 2.837 455 1HH1 ARG 72 2HH2 ARG 72 -3.436 6.276 4.420 456 2HH1 ARG 72 1HH2 ARG 72 -4.002 7.395 5.613 457 2HH2 ARG 72 1HH ARG 72 -3.185 9.648 5.590 458 H GLU 73 H GLU 73 -0.775 2.264 -0.485 459 HA GLU 73 HA GLU 73 -1.919 2.234 -2.995 460 2HB GLU 73 2HB GLU 73 -2.662 -0.102 -2.331 461 2HG GLU 73 2HG GLU 73 0.122 0.128 -1.266 462 HE2 GLU 73 HE GLU 73 -1.176 -2.319 -4.189 463 H TRP 74 H TRP 74 -4.071 2.202 -3.754 464 HA TRP 74 HA TRP 74 -6.029 3.117 -1.772 465 2HB TRP 74 2HB TRP 74 -7.267 3.686 -4.014 466 HD1 TRP 74 HD TRP 74 -5.585 4.974 -1.204 467 HE1 TRP 74 1HE TRP 74 -5.189 7.583 -1.162 468 HE3 TRP 74 3HE TRP 74 -6.330 5.696 -6.182 469 HZ2 TRP 74 2HZ TRP 74 -5.232 9.610 -3.169 470 HZ3 TRP 74 3HZ TRP 74 -6.134 8.022 -7.060 471 HH2 TRP 74 HH TRP 74 -5.607 9.941 -5.641 472 H TRP 75 H TRP 75 -8.385 2.351 -2.466 473 HA TRP 75 HA TRP 75 -8.200 -0.481 -3.236 474 2HB TRP 75 2HB TRP 75 -10.130 -0.835 -1.666 475 HD1 TRP 75 HD TRP 75 -7.718 1.100 0.587 476 HE1 TRP 75 1HE TRP 75 -6.074 -0.517 1.872 477 HE3 TRP 75 3HE TRP 75 -8.993 -3.096 -1.988 478 HZ2 TRP 75 2HZ TRP 75 -5.505 -3.306 1.672 479 HZ3 TRP 75 3HZ TRP 75 -7.846 -5.225 -1.380 480 HH2 TRP 75 HH TRP 75 -6.156 -5.372 0.380 481 H ALA 76 H ALA 76 -10.014 -1.259 -4.495 482 HA ALA 76 HA ALA 76 -12.084 0.603 -5.208 483 1HB ALA 76 1HB ALA 76 -10.355 1.405 -6.700 484 2HB ALA 76 2HB ALA 76 -9.948 -0.254 -7.200 485 3HB ALA 76 3HB ALA 76 -11.514 0.455 -7.661 486 H LEU 77 H LEU 77 -13.424 -0.565 -7.125 487 HA LEU 77 HA LEU 77 -13.808 -3.274 -6.127 488 2HB LEU 77 2HB LEU 77 -15.984 -3.150 -7.060 489 HG LEU 77 HG LEU 77 -15.349 -0.428 -5.887 490 1HD1 LEU 77 1HD1 LEU 77 -17.672 -1.226 -7.223 491 2HD1 LEU 77 2HD1 LEU 77 -18.063 -1.364 -5.492 492 3HD1 LEU 77 3HD1 LEU 77 -17.469 0.179 -6.149 493 1HD2 LEU 77 1HD2 LEU 77 -15.870 -1.277 -3.776 494 2HD2 LEU 77 2HD2 LEU 77 -16.642 -2.736 -4.443 495 3HD2 LEU 77 3HD2 LEU 77 -14.872 -2.552 -4.517 496 H ARG 78 H ARG 78 -14.379 -4.989 -7.798 497 HA ARG 78 HA ARG 78 -12.265 -5.014 -9.672 498 2HB ARG 78 2HB ARG 78 -14.579 -6.963 -9.200 499 2HG ARG 78 2HG ARG 78 -13.386 -7.087 -11.492 500 2HD ARG 78 2HD ARG 78 -11.115 -7.963 -9.643 501 HE ARG 78 HE ARG 78 -10.736 -9.401 -11.462 502 1HH1 ARG 78 2HH2 ARG 78 -11.689 -6.212 -12.678 503 2HH1 ARG 78 1HH2 ARG 78 -11.327 -6.596 -14.328 504 2HH2 ARG 78 1HH ARG 78 -10.487 -8.774 -14.869 Start of MODEL 15 1 1H MET 1 H MET 1 -21.211 -2.376 12.150 2 HA MET 1 HA MET 1 -23.288 -1.003 13.481 3 2HB MET 1 2HB MET 1 -20.953 0.824 13.000 4 2HG MET 1 2HG MET 1 -22.122 1.002 15.635 5 1HE MET 1 1HE MET 1 -21.636 3.172 16.376 6 2HE MET 1 2HE MET 1 -22.118 4.683 15.569 7 3HE MET 1 3HE MET 1 -23.357 3.499 16.055 8 H ALA 2 H ALA 2 -20.592 -0.654 11.073 9 HA ALA 2 HA ALA 2 -22.405 0.747 9.288 10 1HB ALA 2 1HB ALA 2 -19.466 0.371 9.598 11 2HB ALA 2 2HB ALA 2 -20.063 0.523 7.929 12 3HB ALA 2 3HB ALA 2 -20.391 1.812 9.111 13 H SER 3 H SER 3 -22.002 -0.005 6.819 14 HA SER 3 HA SER 3 -22.290 -2.908 6.844 15 2HB SER 3 2HB SER 3 -24.490 -2.140 6.433 16 HG SER 3 HG SER 3 -25.011 -0.331 5.275 17 H LEU 4 H LEU 4 -21.706 -3.958 4.718 18 HA LEU 4 HA LEU 4 -19.299 -2.802 3.725 19 2HB LEU 4 2HB LEU 4 -20.019 -4.963 2.108 20 HG LEU 4 HG LEU 4 -18.219 -4.629 4.472 21 1HD1 LEU 4 1HD1 LEU 4 -19.605 -7.012 4.175 22 2HD1 LEU 4 2HD1 LEU 4 -18.052 -7.318 3.362 23 3HD1 LEU 4 3HD1 LEU 4 -18.077 -6.772 5.056 24 1HD2 LEU 4 1HD2 LEU 4 -17.929 -5.277 1.550 25 2HD2 LEU 4 2HD2 LEU 4 -17.187 -3.968 2.502 26 3HD2 LEU 4 3HD2 LEU 4 -16.622 -5.645 2.701 27 H ILE 5 H ILE 5 -22.684 -3.145 2.606 28 HA ILE 5 HA ILE 5 -22.344 -2.493 -0.040 29 HB ILE 5 HB ILE 5 -24.641 -1.577 1.681 30 2HG1 ILE 5 2HG1 ILE 5 -23.698 -4.309 1.110 31 1HG2 ILE 5 1HG2 ILE 5 -24.424 -2.397 -1.228 32 2HG2 ILE 5 2HG2 ILE 5 -25.946 -2.052 -0.374 33 3HG2 ILE 5 3HG2 ILE 5 -24.735 -0.765 -0.588 34 1HD1 ILE 5 1HD1 ILE 5 -24.129 -4.223 3.343 35 2HD1 ILE 5 2HD1 ILE 5 -25.117 -2.753 3.175 36 3HD1 ILE 5 3HD1 ILE 5 -25.845 -4.352 2.892 37 H GLN 6 H GLN 6 -22.309 -0.422 2.873 38 HA GLN 6 HA GLN 6 -22.568 2.000 1.595 39 2HB GLN 6 2HB GLN 6 -20.991 2.670 3.698 40 2HG GLN 6 2HG GLN 6 -23.679 1.581 4.465 41 1HE2 GLN 6 1HE2 GLN 6 -21.713 4.475 3.785 42 2HE2 GLN 6 2HE2 GLN 6 -21.984 5.284 5.293 43 H VAL 7 H VAL 7 -19.563 0.174 2.514 44 HA VAL 7 HA VAL 7 -17.829 2.045 1.316 45 HB VAL 7 HB VAL 7 -17.534 -0.839 2.158 46 1HG1 VAL 7 1HG1 VAL 7 -15.287 1.055 1.404 47 2HG1 VAL 7 2HG1 VAL 7 -15.158 -0.659 1.868 48 3HG1 VAL 7 3HG1 VAL 7 -15.928 -0.209 0.329 49 1HG2 VAL 7 1HG2 VAL 7 -17.746 0.307 4.133 50 2HG2 VAL 7 2HG2 VAL 7 -15.995 0.494 3.870 51 3HG2 VAL 7 3HG2 VAL 7 -17.104 1.823 3.455 52 H ARG 8 H ARG 8 -19.226 -1.115 0.233 53 HA ARG 8 HA ARG 8 -17.898 -1.303 -2.122 54 2HB ARG 8 2HB ARG 8 -20.109 -2.502 -2.898 55 2HG ARG 8 2HG ARG 8 -18.881 -3.391 -0.249 56 2HD ARG 8 2HD ARG 8 -19.933 -4.999 -2.625 57 HE ARG 8 HE ARG 8 -18.293 -5.782 -0.455 58 1HH1 ARG 8 2HH2 ARG 8 -21.389 -6.759 -1.876 59 2HH1 ARG 8 1HH2 ARG 8 -21.246 -8.407 -1.363 60 2HH2 ARG 8 1HH ARG 8 -19.306 -9.088 -0.130 61 H ASP 9 H ASP 9 -20.994 0.429 -1.376 62 HA ASP 9 HA ASP 9 -21.564 1.184 -3.961 63 2HB ASP 9 2HB ASP 9 -22.123 2.880 -1.493 64 HD2 ASP 9 HD ASP 9 -24.744 4.330 -2.867 65 H LEU 10 H LEU 10 -19.831 2.909 -1.262 66 HA LEU 10 HA LEU 10 -19.265 5.237 -2.675 67 2HB LEU 10 2HB LEU 10 -17.268 5.195 -0.927 68 HG LEU 10 HG LEU 10 -18.665 6.059 0.820 69 1HD1 LEU 10 1HD1 LEU 10 -19.579 7.900 -0.262 70 2HD1 LEU 10 2HD1 LEU 10 -18.365 7.312 -1.423 71 3HD1 LEU 10 3HD1 LEU 10 -20.089 6.948 -1.677 72 1HD2 LEU 10 1HD2 LEU 10 -20.440 4.688 1.214 73 2HD2 LEU 10 2HD2 LEU 10 -21.265 5.965 0.289 74 3HD2 LEU 10 3HD2 LEU 10 -20.791 4.448 -0.514 75 H LEU 11 H LEU 11 -17.357 2.188 -2.251 76 HA LEU 11 HA LEU 11 -15.121 3.002 -3.654 77 2HB LEU 11 2HB LEU 11 -15.214 0.352 -4.177 78 HG LEU 11 HG LEU 11 -14.707 1.361 -1.370 79 1HD1 LEU 11 1HD1 LEU 11 -14.494 -1.202 -2.597 80 2HD1 LEU 11 2HD1 LEU 11 -12.851 -0.615 -2.241 81 3HD1 LEU 11 3HD1 LEU 11 -14.062 -0.714 -0.941 82 1HD2 LEU 11 1HD2 LEU 11 -13.300 1.981 -3.863 83 2HD2 LEU 11 2HD2 LEU 11 -13.198 2.746 -2.258 84 3HD2 LEU 11 3HD2 LEU 11 -12.249 1.282 -2.608 85 H ALA 12 H ALA 12 -18.359 2.128 -4.755 86 HA ALA 12 HA ALA 12 -17.468 1.801 -7.489 87 1HB ALA 12 1HB ALA 12 -19.695 0.993 -5.890 88 2HB ALA 12 2HB ALA 12 -20.322 2.008 -7.211 89 3HB ALA 12 3HB ALA 12 -19.343 0.569 -7.582 90 H LEU 13 H LEU 13 -19.760 3.984 -5.688 91 HA LEU 13 HA LEU 13 -20.138 5.771 -7.754 92 2HB LEU 13 2HB LEU 13 -20.487 7.371 -5.675 93 HG LEU 13 HG LEU 13 -22.701 6.555 -5.294 94 1HD1 LEU 13 1HD1 LEU 13 -23.596 6.655 -7.455 95 2HD1 LEU 13 2HD1 LEU 13 -22.047 7.524 -7.574 96 3HD1 LEU 13 3HD1 LEU 13 -22.180 5.856 -8.181 97 1HD2 LEU 13 1HD2 LEU 13 -21.713 3.943 -6.452 98 2HD2 LEU 13 2HD2 LEU 13 -22.367 4.254 -4.827 99 3HD2 LEU 13 3HD2 LEU 13 -23.436 4.337 -6.246 100 H ARG 14 H ARG 14 -17.810 6.043 -4.973 101 HA ARG 14 HA ARG 14 -16.521 8.195 -6.320 102 2HB ARG 14 2HB ARG 14 -15.328 8.512 -4.305 103 2HG ARG 14 2HG ARG 14 -16.870 8.160 -2.461 104 2HD ARG 14 2HD ARG 14 -19.174 8.423 -3.950 105 HE ARG 14 HE ARG 14 -18.582 10.341 -2.685 106 1HH1 ARG 14 2HH2 ARG 14 -16.361 9.918 -5.412 107 2HH1 ARG 14 1HH2 ARG 14 -15.669 11.499 -5.256 108 2HH2 ARG 14 1HH ARG 14 -16.455 12.957 -3.523 109 H GLY 15 H GLY 15 -16.569 5.052 -7.068 110 1HA GLY 15 1HA GLY 15 -15.168 3.563 -8.008 111 2HA GLY 15 2HA GLY 15 -14.287 4.963 -8.591 112 H ARG 16 H ARG 16 -12.160 4.275 -8.320 113 HA ARG 16 HA ARG 16 -11.378 2.895 -6.006 114 2HB ARG 16 2HB ARG 16 -10.107 2.507 -8.015 115 2HG ARG 16 2HG ARG 16 -10.280 5.465 -8.246 116 2HD ARG 16 2HD ARG 16 -7.668 4.069 -8.386 117 HE ARG 16 HE ARG 16 -8.606 4.536 -10.885 118 1HH1 ARG 16 2HH2 ARG 16 -6.303 6.403 -8.944 119 2HH1 ARG 16 1HH2 ARG 16 -5.447 7.014 -10.320 120 2HH2 ARG 16 1HH ARG 16 -6.155 6.377 -12.520 121 H MET 17 H MET 17 -10.865 3.749 -4.011 122 HA MET 17 HA MET 17 -9.673 6.365 -3.926 123 2HB MET 17 2HB MET 17 -11.419 6.851 -1.964 124 2HG MET 17 2HG MET 17 -13.107 7.704 -3.717 125 1HE MET 17 1HE MET 17 -12.837 9.641 -2.594 126 2HE MET 17 2HE MET 17 -11.627 10.910 -2.899 127 3HE MET 17 3HE MET 17 -12.758 10.430 -4.187 128 H GLU 18 H GLU 18 -9.292 6.910 -1.384 129 HA GLU 18 HA GLU 18 -7.850 4.631 -0.452 130 2HB GLU 18 2HB GLU 18 -8.079 7.182 1.137 131 2HG GLU 18 2HG GLU 18 -5.405 6.275 0.497 132 HE2 GLU 18 HE GLU 18 -6.309 4.837 3.483 133 H ALA 19 H ALA 19 -7.991 3.912 1.888 134 HA ALA 19 HA ALA 19 -10.672 3.279 2.505 135 1HB ALA 19 1HB ALA 19 -9.215 2.669 4.756 136 2HB ALA 19 2HB ALA 19 -9.355 1.622 3.323 137 3HB ALA 19 3HB ALA 19 -7.949 2.697 3.507 138 H ALA 20 H ALA 20 -8.282 5.675 3.729 139 HA ALA 20 HA ALA 20 -9.573 6.511 5.990 140 1HB ALA 20 1HB ALA 20 -8.211 8.376 4.022 141 2HB ALA 20 2HB ALA 20 -8.245 8.476 5.798 142 3HB ALA 20 3HB ALA 20 -7.304 7.196 4.997 143 H GLN 21 H GLN 21 -10.235 7.310 2.548 144 HA GLN 21 HA GLN 21 -12.114 9.297 3.160 145 2HB GLN 21 2HB GLN 21 -12.828 8.480 0.646 146 2HG GLN 21 2HG GLN 21 -10.489 9.887 0.133 147 1HE2 GLN 21 1HE2 GLN 21 -13.585 10.204 1.835 148 2HE2 GLN 21 2HE2 GLN 21 -14.263 11.451 0.844 149 H ILE 22 H ILE 22 -12.305 5.761 2.505 150 HA ILE 22 HA ILE 22 -15.082 5.598 2.344 151 HB ILE 22 HB ILE 22 -13.022 3.573 3.225 152 2HG1 ILE 22 2HG1 ILE 22 -13.032 4.735 0.846 153 1HG2 ILE 22 1HG2 ILE 22 -15.726 2.863 2.128 154 2HG2 ILE 22 2HG2 ILE 22 -14.598 1.889 3.101 155 3HG2 ILE 22 3HG2 ILE 22 -15.521 3.207 3.863 156 1HD1 ILE 22 1HD1 ILE 22 -12.226 2.181 1.892 157 2HD1 ILE 22 2HD1 ILE 22 -12.860 1.926 0.249 158 3HD1 ILE 22 3HD1 ILE 22 -11.530 3.078 0.522 159 H SER 23 H SER 23 -12.817 5.318 5.152 160 HA SER 23 HA SER 23 -14.760 4.709 7.006 161 2HB SER 23 2HB SER 23 -12.229 4.594 7.278 162 HG SER 23 HG SER 23 -11.194 6.490 8.084 163 H GLN 24 H GLN 24 -13.560 7.846 5.721 164 HA GLN 24 HA GLN 24 -14.797 9.470 7.578 165 2HB GLN 24 2HB GLN 24 -14.802 10.893 5.143 166 2HG GLN 24 2HG GLN 24 -12.211 11.128 6.255 167 1HE2 GLN 24 1HE2 GLN 24 -11.847 13.220 6.484 168 2HE2 GLN 24 2HE2 GLN 24 -13.043 14.469 6.579 169 H THR 25 H THR 25 -15.955 8.113 4.439 170 HA THR 25 HA THR 25 -18.313 9.473 4.164 171 HB THR 25 HB THR 25 -17.464 6.604 3.552 172 HG1 THR 25 1HG THR 25 -16.464 8.427 2.425 173 1HG2 THR 25 1HG2 THR 25 -19.574 7.640 1.838 174 2HG2 THR 25 2HG2 THR 25 -19.552 6.118 2.761 175 3HG2 THR 25 3HG2 THR 25 -20.152 7.611 3.522 176 H LEU 26 H LEU 26 -17.674 6.582 6.229 177 HA LEU 26 HA LEU 26 -20.319 7.050 7.412 178 2HB LEU 26 2HB LEU 26 -20.593 4.907 6.928 179 HG LEU 26 HG LEU 26 -17.602 4.702 6.610 180 1HD1 LEU 26 1HD1 LEU 26 -17.814 2.639 7.541 181 2HD1 LEU 26 2HD1 LEU 26 -19.544 2.509 7.148 182 3HD1 LEU 26 3HD1 LEU 26 -18.322 2.240 5.883 183 1HD2 LEU 26 1HD2 LEU 26 -19.715 5.275 4.858 184 2HD2 LEU 26 2HD2 LEU 26 -18.024 4.910 4.440 185 3HD2 LEU 26 3HD2 LEU 26 -19.230 3.603 4.488 186 H ASN 27 H ASN 27 -17.673 8.495 7.886 187 HA ASN 27 HA ASN 27 -16.316 9.032 9.527 188 2HB ASN 27 2HB ASN 27 -18.463 8.794 11.601 189 1HD2 ASN 27 1HD2 ASN 27 -16.354 9.388 12.583 190 2HD2 ASN 27 2HD2 ASN 27 -15.910 11.061 12.645 191 H THR 28 H THR 28 -16.490 6.104 9.092 192 HA THR 28 HA THR 28 -16.597 4.880 11.700 193 HB THR 28 HB THR 28 -16.959 4.084 9.018 194 HG1 THR 28 1HG THR 28 -17.943 2.704 10.442 195 1HG2 THR 28 1HG2 THR 28 -14.536 3.671 8.711 196 2HG2 THR 28 2HG2 THR 28 -14.470 2.800 10.262 197 3HG2 THR 28 3HG2 THR 28 -15.380 2.115 8.894 198 HA PRO 29 HA PRO 29 -12.429 5.058 12.695 199 2HB PRO 29 2HB PRO 29 -12.764 4.025 14.725 200 2HG PRO 29 2HG PRO 29 -14.625 2.665 14.819 201 2HD PRO 29 2HD PRO 29 -15.899 3.604 13.151 202 H GLN 30 H GLN 30 -10.457 4.978 11.767 203 HA GLN 30 HA GLN 30 -10.180 3.874 9.353 204 2HB GLN 30 2HB GLN 30 -7.680 3.698 10.920 205 2HG GLN 30 2HG GLN 30 -7.130 5.610 9.267 206 1HE2 GLN 30 1HE2 GLN 30 -8.812 4.047 6.924 207 2HE2 GLN 30 2HE2 GLN 30 -7.738 2.741 6.546 208 HA PRO 31 HA PRO 31 -8.558 -0.134 11.310 209 2HB PRO 31 2HB PRO 31 -7.340 0.068 13.253 210 2HG PRO 31 2HG PRO 31 -7.722 2.012 14.432 211 2HD PRO 31 2HD PRO 31 -8.473 3.375 12.739 212 H MET 32 H MET 32 -10.895 0.252 10.149 213 HA MET 32 HA MET 32 -12.412 -1.841 11.428 214 2HB MET 32 2HB MET 32 -13.966 0.548 10.416 215 2HG MET 32 2HG MET 32 -14.581 -0.701 13.043 216 1HE MET 32 1HE MET 32 -18.308 -1.170 12.110 217 2HE MET 32 2HE MET 32 -16.888 -1.945 12.852 218 3HE MET 32 3HE MET 32 -17.497 -0.401 13.495 219 H ILE 33 H ILE 33 -12.152 0.503 8.677 220 HA ILE 33 HA ILE 33 -13.629 -1.194 6.924 221 HB ILE 33 HB ILE 33 -11.925 1.253 6.448 222 2HG1 ILE 33 2HG1 ILE 33 -14.228 2.294 6.119 223 1HG2 ILE 33 1HG2 ILE 33 -13.964 0.510 4.452 224 2HG2 ILE 33 2HG2 ILE 33 -12.323 1.164 4.240 225 3HG2 ILE 33 3HG2 ILE 33 -12.557 -0.577 4.532 226 1HD1 ILE 33 1HD1 ILE 33 -16.135 1.225 7.027 227 2HD1 ILE 33 2HD1 ILE 33 -15.332 -0.079 6.120 228 3HD1 ILE 33 3HD1 ILE 33 -15.158 0.013 7.889 229 H ASN 34 H ASN 34 -10.198 -0.652 7.761 230 HA ASN 34 HA ASN 34 -9.014 -1.820 5.622 231 2HB ASN 34 2HB ASN 34 -7.286 -2.620 7.484 232 1HD2 ASN 34 1HD2 ASN 34 -7.970 0.330 8.863 233 2HD2 ASN 34 2HD2 ASN 34 -7.064 1.385 7.829 234 H ALA 35 H ALA 35 -10.636 -3.262 8.488 235 HA ALA 35 HA ALA 35 -9.750 -5.899 8.119 236 1HB ALA 35 1HB ALA 35 -10.757 -4.934 10.199 237 2HB ALA 35 2HB ALA 35 -12.334 -4.887 9.374 238 3HB ALA 35 3HB ALA 35 -11.536 -6.448 9.682 239 H MET 36 H MET 36 -12.686 -4.103 6.991 240 HA MET 36 HA MET 36 -13.834 -6.307 5.749 241 2HB MET 36 2HB MET 36 -15.326 -4.649 4.752 242 2HG MET 36 2HG MET 36 -14.825 -2.826 6.938 243 1HE MET 36 1HE MET 36 -18.098 -2.772 5.410 244 2HE MET 36 2HE MET 36 -17.909 -2.075 7.037 245 3HE MET 36 3HE MET 36 -16.563 -2.002 5.876 246 H LEU 37 H LEU 37 -11.754 -3.628 4.464 247 HA LEU 37 HA LEU 37 -11.805 -4.371 1.811 248 2HB LEU 37 2HB LEU 37 -9.509 -3.236 1.792 249 HG LEU 37 HG LEU 37 -11.990 -1.860 2.807 250 1HD1 LEU 37 1HD1 LEU 37 -9.598 -0.260 1.971 251 2HD1 LEU 37 2HD1 LEU 37 -10.993 0.206 2.974 252 3HD1 LEU 37 3HD1 LEU 37 -9.725 -0.846 3.647 253 1HD2 LEU 37 1HD2 LEU 37 -10.500 -1.479 0.205 254 2HD2 LEU 37 2HD2 LEU 37 -11.785 -2.691 0.428 255 3HD2 LEU 37 3HD2 LEU 37 -12.150 -0.959 0.622 256 H GLN 38 H GLN 38 -9.887 -5.643 4.559 257 HA GLN 38 HA GLN 38 -8.145 -7.145 2.999 258 2HB GLN 38 2HB GLN 38 -8.818 -8.292 5.643 259 2HG GLN 38 2HG GLN 38 -6.241 -6.901 5.260 260 1HE2 GLN 38 1HE2 GLN 38 -4.528 -8.785 5.252 261 2HE2 GLN 38 2HE2 GLN 38 -4.787 -10.016 6.442 262 H GLN 39 H GLN 39 -11.294 -7.945 4.598 263 HA GLN 39 HA GLN 39 -11.301 -10.616 3.961 264 2HB GLN 39 2HB GLN 39 -13.944 -9.261 3.871 265 2HG GLN 39 2HG GLN 39 -12.600 -11.434 5.529 266 1HE2 GLN 39 1HE2 GLN 39 -13.244 -11.638 7.520 267 2HE2 GLN 39 2HE2 GLN 39 -14.772 -11.174 8.190 268 H LEU 40 H LEU 40 -12.628 -7.777 2.139 269 HA LEU 40 HA LEU 40 -13.732 -9.218 0.043 270 2HB LEU 40 2HB LEU 40 -13.617 -7.107 -1.189 271 HG LEU 40 HG LEU 40 -14.335 -6.716 1.729 272 1HD1 LEU 40 1HD1 LEU 40 -15.639 -4.770 0.979 273 2HD1 LEU 40 2HD1 LEU 40 -13.893 -4.558 0.702 274 3HD1 LEU 40 3HD1 LEU 40 -14.968 -4.959 -0.659 275 1HD2 LEU 40 1HD2 LEU 40 -15.747 -8.388 0.904 276 2HD2 LEU 40 2HD2 LEU 40 -16.693 -6.891 0.727 277 3HD2 LEU 40 3HD2 LEU 40 -15.894 -7.611 -0.691 278 H GLU 41 H GLU 41 -10.402 -7.880 0.495 279 HA GLU 41 HA GLU 41 -9.476 -8.580 -2.001 280 2HB GLU 41 2HB GLU 41 -7.978 -8.389 0.649 281 2HG GLU 41 2HG GLU 41 -6.517 -7.640 -1.776 282 HE2 GLU 41 HE GLU 41 -5.365 -10.450 -1.229 283 H SER 42 H SER 42 -9.319 -10.395 1.140 284 HA SER 42 HA SER 42 -7.936 -12.554 0.226 285 2HB SER 42 2HB SER 42 -10.225 -12.762 2.217 286 HG SER 42 HG SER 42 -8.543 -14.562 1.498 287 H MET 43 H MET 43 -11.517 -11.976 0.262 288 HA MET 43 HA MET 43 -12.147 -14.455 -0.850 289 2HB MET 43 2HB MET 43 -14.344 -13.129 -1.433 290 2HG MET 43 2HG MET 43 -13.793 -12.631 1.455 291 1HE MET 43 1HE MET 43 -16.700 -15.872 1.128 292 2HE MET 43 2HE MET 43 -15.513 -15.914 -0.198 293 3HE MET 43 3HE MET 43 -14.958 -15.810 1.491 294 H GLY 44 H GLY 44 -11.530 -11.199 -2.268 295 1HA GLY 44 1HA GLY 44 -10.477 -11.030 -4.386 296 2HA GLY 44 2HA GLY 44 -11.280 -12.499 -4.902 297 H LYS 45 H LYS 45 -12.610 -9.592 -3.186 298 HA LYS 45 HA LYS 45 -14.606 -9.419 -5.314 299 2HB LYS 45 2HB LYS 45 -16.055 -8.455 -3.760 300 2HG LYS 45 2HG LYS 45 -15.556 -9.809 -1.537 301 2HD LYS 45 2HD LYS 45 -15.728 -11.618 -3.938 302 2HE LYS 45 2HE LYS 45 -16.250 -12.071 -1.345 303 1HZ LYS 45 1HZ LYS 45 -18.611 -11.735 -0.935 304 2HZ LYS 45 2HZ LYS 45 -17.934 -10.286 -1.238 305 H ALA 46 H ALA 46 -12.705 -7.169 -3.174 306 HA ALA 46 HA ALA 46 -12.821 -5.194 -5.303 307 1HB ALA 46 1HB ALA 46 -13.309 -4.205 -3.249 308 2HB ALA 46 2HB ALA 46 -12.143 -5.220 -2.366 309 3HB ALA 46 3HB ALA 46 -11.563 -3.885 -3.391 310 H VAL 47 H VAL 47 -10.596 -3.854 -5.434 311 HA VAL 47 HA VAL 47 -8.396 -5.787 -5.548 312 HB VAL 47 HB VAL 47 -7.754 -4.926 -7.726 313 1HG1 VAL 47 1HG1 VAL 47 -9.318 -6.894 -7.480 314 2HG1 VAL 47 2HG1 VAL 47 -10.661 -5.780 -7.835 315 3HG1 VAL 47 3HG1 VAL 47 -9.391 -6.058 -9.051 316 1HG2 VAL 47 1HG2 VAL 47 -10.344 -3.560 -8.221 317 2HG2 VAL 47 2HG2 VAL 47 -9.198 -2.706 -7.161 318 3HG2 VAL 47 3HG2 VAL 47 -8.708 -3.173 -8.807 319 H ARG 48 H ARG 48 -6.248 -4.754 -5.502 320 HA ARG 48 HA ARG 48 -6.375 -2.458 -3.808 321 2HB ARG 48 2HB ARG 48 -3.774 -3.657 -4.789 322 2HG ARG 48 2HG ARG 48 -4.467 -1.812 -2.805 323 2HD ARG 48 2HD ARG 48 -4.748 -4.510 -1.719 324 HE ARG 48 HE ARG 48 -2.586 -4.561 -0.782 325 1HH1 ARG 48 2HH2 ARG 48 -4.008 -1.349 -0.316 326 2HH1 ARG 48 1HH2 ARG 48 -2.770 -0.824 0.776 327 2HH2 ARG 48 1HH ARG 48 -0.984 -2.320 1.334 328 H ILE 49 H ILE 49 -5.561 -0.366 -4.315 329 HA ILE 49 HA ILE 49 -4.749 -0.027 -7.120 330 HB ILE 49 HB ILE 49 -6.533 1.644 -5.365 331 2HG1 ILE 49 2HG1 ILE 49 -8.046 1.467 -7.332 332 1HG2 ILE 49 1HG2 ILE 49 -4.775 3.062 -6.459 333 2HG2 ILE 49 2HG2 ILE 49 -5.403 2.517 -8.033 334 3HG2 ILE 49 3HG2 ILE 49 -6.450 3.440 -6.928 335 1HD1 ILE 49 1HD1 ILE 49 -7.452 0.415 -9.265 336 2HD1 ILE 49 2HD1 ILE 49 -5.777 0.638 -8.705 337 3HD1 ILE 49 3HD1 ILE 49 -6.623 -0.897 -8.396 338 H GLN 50 H GLN 50 -3.147 1.637 -7.541 339 HA GLN 50 HA GLN 50 -1.596 2.217 -5.137 340 2HB GLN 50 2HB GLN 50 -0.691 1.478 -7.943 341 2HG GLN 50 2HG GLN 50 0.805 2.897 -5.714 342 1HE2 GLN 50 1HE2 GLN 50 2.149 1.356 -4.918 343 2HE2 GLN 50 2HE2 GLN 50 3.387 0.563 -5.834 344 H GLU 51 H GLU 51 -0.414 4.288 -5.126 345 HA GLU 51 HA GLU 51 -1.823 6.227 -6.771 346 2HB GLU 51 2HB GLU 51 -0.477 7.710 -4.875 347 2HG GLU 51 2HG GLU 51 -3.024 6.537 -3.890 348 HE2 GLU 51 HE GLU 51 -2.512 10.479 -4.506 349 H GLU 52 H GLU 52 -0.403 8.284 -7.275 350 HA GLU 52 HA GLU 52 1.650 7.437 -8.915 351 2HB GLU 52 2HB GLU 52 2.201 9.983 -8.939 352 2HG GLU 52 2HG GLU 52 -0.673 9.888 -9.529 353 HE2 GLU 52 HE GLU 52 1.592 8.749 -11.783 354 HA PRO 53 HA PRO 53 4.855 7.150 -5.954 355 2HB PRO 53 2HB PRO 53 5.703 5.250 -6.939 356 2HG PRO 53 2HG PRO 53 4.980 4.880 -9.098 357 2HD PRO 53 2HD PRO 53 3.002 6.049 -9.072 358 H ASP 54 H ASP 54 7.555 7.672 -6.376 359 HA ASP 54 HA ASP 54 7.402 10.480 -6.170 360 2HB ASP 54 2HB ASP 54 9.086 9.563 -4.823 361 HD2 ASP 54 HD ASP 54 10.187 7.914 -4.242 362 H GLY 55 H GLY 55 8.957 11.923 -7.538 363 1HA GLY 55 1HA GLY 55 9.920 11.014 -10.042 364 2HA GLY 55 2HA GLY 55 8.350 11.766 -10.244 365 H CYS 56 H CYS 56 11.577 12.306 -8.677 366 HA CYS 56 HA CYS 56 11.397 15.069 -9.570 367 2HB CYS 56 2HB CYS 56 10.629 15.115 -7.239 368 HG CYS 56 HG CYS 56 13.279 14.752 -5.723 369 H LEU 57 H LEU 57 13.620 16.082 -9.628 370 HA LEU 57 HA LEU 57 15.541 14.083 -10.422 371 2HB LEU 57 2HB LEU 57 16.522 16.783 -10.494 372 HG LEU 57 HG LEU 57 16.566 16.491 -12.907 373 1HD1 LEU 57 1HD1 LEU 57 18.487 15.487 -12.389 374 2HD1 LEU 57 2HD1 LEU 57 17.758 14.605 -11.026 375 3HD1 LEU 57 3HD1 LEU 57 17.636 13.950 -12.676 376 1HD2 LEU 57 1HD2 LEU 57 15.370 13.750 -12.714 377 2HD2 LEU 57 2HD2 LEU 57 14.302 15.171 -12.816 378 3HD2 LEU 57 3HD2 LEU 57 15.487 14.853 -14.105 379 H SER 58 H SER 58 16.867 13.135 -8.980 380 HA SER 58 HA SER 58 17.604 14.757 -6.671 381 2HB SER 58 2HB SER 58 17.918 12.638 -5.445 382 HG SER 58 HG SER 58 15.824 12.711 -5.054 383 H GLY 59 H GLY 59 19.840 14.783 -6.018 384 1HA GLY 59 1HA GLY 59 21.844 13.190 -7.170 385 2HA GLY 59 2HA GLY 59 21.718 14.672 -8.098 386 H SER 60 H SER 60 22.430 13.266 -4.896 387 HA SER 60 HA SER 60 24.089 15.531 -4.359 388 2HB SER 60 2HB SER 60 22.194 16.486 -3.327 389 HG SER 60 HG SER 60 20.524 15.187 -3.002 390 H CYS 61 H CYS 61 25.401 15.116 -2.263 391 HA CYS 61 HA CYS 61 25.826 12.231 -2.066 392 2HB CYS 61 2HB CYS 61 27.811 14.354 -1.234 393 HG CYS 61 HG CYS 61 29.633 12.690 -1.207 394 H LYS 62 H LYS 62 24.435 11.619 -0.379 395 HA LYS 62 HA LYS 62 23.649 11.430 1.674 396 2HB LYS 62 2HB LYS 62 26.249 12.793 2.432 397 2HG LYS 62 2HG LYS 62 24.249 12.693 4.160 398 2HD LYS 62 2HD LYS 62 24.900 10.227 5.290 399 2HE LYS 62 2HE LYS 62 22.561 11.353 3.774 400 1HZ LYS 62 1HZ LYS 62 22.798 8.945 3.115 401 2HZ LYS 62 2HZ LYS 62 22.610 8.529 4.678 402 H SER 63 H SER 63 21.788 12.503 2.051 403 HA SER 63 HA SER 63 21.747 14.884 3.393 404 2HB SER 63 2HB SER 63 20.569 16.152 1.305 405 HG SER 63 HG SER 63 23.229 16.101 2.291 406 H CYS 64 H CYS 64 19.993 13.277 0.633 407 HA CYS 64 HA CYS 64 17.451 13.805 1.312 408 2HB CYS 64 2HB CYS 64 17.263 11.162 0.523 409 HG CYS 64 HG CYS 64 15.986 12.101 -1.225 410 HA PRO 65 HA PRO 65 16.851 11.845 5.161 411 2HB PRO 65 2HB PRO 65 15.070 13.215 5.663 412 2HG PRO 65 2HG PRO 65 14.068 14.201 3.834 413 2HD PRO 65 2HD PRO 65 15.812 14.149 2.337 414 H GLU 66 H GLU 66 14.822 10.147 6.028 415 HA GLU 66 HA GLU 66 15.324 7.894 4.244 416 2HB GLU 66 2HB GLU 66 16.678 7.803 6.371 417 2HG GLU 66 2HG GLU 66 14.695 6.874 8.175 418 HE2 GLU 66 HE GLU 66 14.945 8.264 10.169 419 H GLY 67 H GLY 67 13.685 6.199 6.205 420 1HA GLY 67 1HA GLY 67 11.412 6.243 6.966 421 2HA GLY 67 2HA GLY 67 11.019 7.356 5.671 422 H LYS 68 H LYS 68 10.605 4.226 6.616 423 HA LYS 68 HA LYS 68 10.717 3.228 3.854 424 2HB LYS 68 2HB LYS 68 10.520 1.260 6.045 425 2HG LYS 68 2HG LYS 68 10.915 0.849 3.528 426 2HD LYS 68 2HD LYS 68 13.711 0.954 3.470 427 2HE LYS 68 2HE LYS 68 12.514 3.342 2.272 428 1HZ LYS 68 1HZ LYS 68 13.799 2.570 0.611 429 2HZ LYS 68 2HZ LYS 68 14.293 1.363 1.586 430 H ALA 69 H ALA 69 8.758 3.267 2.901 431 HA ALA 69 HA ALA 69 6.565 1.944 4.018 432 1HB ALA 69 1HB ALA 69 5.077 3.891 4.422 433 2HB ALA 69 2HB ALA 69 6.460 3.866 5.542 434 3HB ALA 69 3HB ALA 69 6.456 4.984 4.158 435 H CYS 70 H CYS 70 5.091 1.488 2.383 436 HA CYS 70 HA CYS 70 5.900 2.344 -0.227 437 2HB CYS 70 2HB CYS 70 5.275 0.015 0.127 438 HG CYS 70 HG CYS 70 2.513 -0.521 0.215 439 H LEU 71 H LEU 71 4.297 3.314 -1.785 440 HA LEU 71 HA LEU 71 3.167 5.619 -0.810 441 2HB LEU 71 2HB LEU 71 1.786 5.361 -3.044 442 HG LEU 71 HG LEU 71 3.665 6.057 -4.411 443 1HD1 LEU 71 1HD1 LEU 71 4.239 7.380 -1.786 444 2HD1 LEU 71 2HD1 LEU 71 4.025 8.089 -3.406 445 3HD1 LEU 71 3HD1 LEU 71 2.611 7.512 -2.492 446 1HD2 LEU 71 1HD2 LEU 71 5.966 6.169 -3.365 447 2HD2 LEU 71 2HD2 LEU 71 5.359 5.055 -2.118 448 3HD2 LEU 71 3HD2 LEU 71 5.391 4.549 -3.824 449 H ARG 72 H ARG 72 0.819 6.266 -0.792 450 HA ARG 72 HA ARG 72 -0.537 4.477 0.898 451 2HB ARG 72 2HB ARG 72 -2.429 6.380 0.214 452 2HG ARG 72 2HG ARG 72 -0.462 7.570 2.011 453 2HD ARG 72 2HD ARG 72 -3.276 6.515 2.091 454 HE ARG 72 HE ARG 72 -2.462 7.220 4.743 455 1HH1 ARG 72 2HH2 ARG 72 -2.190 4.522 2.463 456 2HH1 ARG 72 1HH2 ARG 72 -2.051 3.323 3.705 457 2HH2 ARG 72 1HH ARG 72 -2.106 4.003 6.004 458 H GLU 73 H GLU 73 -1.054 2.545 -0.250 459 HA GLU 73 HA GLU 73 -2.067 2.528 -2.822 460 2HB GLU 73 2HB GLU 73 -2.953 0.178 -2.014 461 2HG GLU 73 2HG GLU 73 -0.540 1.046 -3.023 462 HE2 GLU 73 HE GLU 73 0.267 -1.446 -0.382 463 H TRP 74 H TRP 74 -4.211 2.330 -3.665 464 HA TRP 74 HA TRP 74 -6.253 3.293 -1.793 465 2HB TRP 74 2HB TRP 74 -7.426 3.748 -4.092 466 HD1 TRP 74 HD TRP 74 -5.871 5.187 -1.289 467 HE1 TRP 74 1HE TRP 74 -5.513 7.800 -1.347 468 HE3 TRP 74 3HE TRP 74 -6.430 5.678 -6.318 469 HZ2 TRP 74 2HZ TRP 74 -5.505 9.737 -3.444 470 HZ3 TRP 74 3HZ TRP 74 -6.232 7.965 -7.291 471 HH2 TRP 74 HH TRP 74 -5.786 9.953 -5.940 472 H TRP 75 H TRP 75 -8.565 2.442 -2.525 473 HA TRP 75 HA TRP 75 -8.293 -0.408 -3.195 474 2HB TRP 75 2HB TRP 75 -10.225 -0.783 -1.647 475 HD1 TRP 75 HD TRP 75 -7.962 1.350 0.583 476 HE1 TRP 75 1HE TRP 75 -6.280 -0.137 1.970 477 HE3 TRP 75 3HE TRP 75 -8.980 -2.999 -1.849 478 HZ2 TRP 75 2HZ TRP 75 -5.581 -2.903 1.897 479 HZ3 TRP 75 3HZ TRP 75 -7.754 -5.047 -1.129 480 HH2 TRP 75 HH TRP 75 -6.104 -5.046 0.675 481 H ALA 76 H ALA 76 -10.039 -1.261 -4.487 482 HA ALA 76 HA ALA 76 -12.161 0.510 -5.276 483 1HB ALA 76 1HB ALA 76 -10.716 -0.455 -7.655 484 2HB ALA 76 2HB ALA 76 -11.405 1.150 -7.309 485 3HB ALA 76 3HB ALA 76 -9.790 0.723 -6.694 486 H LEU 77 H LEU 77 -13.565 -0.691 -7.004 487 HA LEU 77 HA LEU 77 -13.827 -3.401 -6.031 488 2HB LEU 77 2HB LEU 77 -15.976 -3.368 -7.037 489 HG LEU 77 HG LEU 77 -15.474 -0.588 -5.941 490 1HD1 LEU 77 1HD1 LEU 77 -17.551 -0.138 -6.598 491 2HD1 LEU 77 2HD1 LEU 77 -17.843 -1.827 -7.081 492 3HD1 LEU 77 3HD1 LEU 77 -18.102 -1.325 -5.393 493 1HD2 LEU 77 1HD2 LEU 77 -16.507 -3.052 -4.512 494 2HD2 LEU 77 2HD2 LEU 77 -14.846 -2.420 -4.394 495 3HD2 LEU 77 3HD2 LEU 77 -16.213 -1.442 -3.809 496 H ARG 78 H ARG 78 -14.097 -5.243 -7.529 497 HA ARG 78 HA ARG 78 -11.986 -5.285 -9.339 498 2HB ARG 78 2HB ARG 78 -14.330 -7.189 -8.876 499 2HG ARG 78 2HG ARG 78 -13.284 -7.391 -11.205 500 2HD ARG 78 2HD ARG 78 -10.876 -8.379 -9.606 501 HE ARG 78 HE ARG 78 -10.706 -9.432 -11.717 502 1HH1 ARG 78 2HH2 ARG 78 -11.405 -5.983 -12.130 503 2HH1 ARG 78 1HH2 ARG 78 -11.074 -5.993 -13.831 504 2HH2 ARG 78 1HH ARG 78 -10.407 -8.039 -14.885 Start of MODEL 16 1 1H MET 1 H MET 1 -24.254 4.157 11.051 2 HA MET 1 HA MET 1 -25.295 3.722 8.922 3 2HB MET 1 2HB MET 1 -24.152 5.858 7.384 4 2HG MET 1 2HG MET 1 -26.965 5.099 8.245 5 1HE MET 1 1HE MET 1 -28.491 6.379 8.655 6 2HE MET 1 2HE MET 1 -28.714 8.109 8.298 7 3HE MET 1 3HE MET 1 -29.281 6.881 7.142 8 H ALA 2 H ALA 2 -23.891 2.039 8.567 9 HA ALA 2 HA ALA 2 -21.507 2.520 7.142 10 1HB ALA 2 1HB ALA 2 -20.544 3.191 9.239 11 2HB ALA 2 2HB ALA 2 -21.276 1.810 10.089 12 3HB ALA 2 3HB ALA 2 -19.970 1.539 8.913 13 H SER 3 H SER 3 -20.800 0.603 6.138 14 HA SER 3 HA SER 3 -21.360 -1.919 7.068 15 2HB SER 3 2HB SER 3 -23.701 -1.627 6.734 16 HG SER 3 HG SER 3 -24.315 -0.055 5.422 17 H LEU 4 H LEU 4 -21.077 -3.608 5.166 18 HA LEU 4 HA LEU 4 -18.762 -2.879 3.767 19 2HB LEU 4 2HB LEU 4 -20.034 -5.161 2.602 20 HG LEU 4 HG LEU 4 -17.623 -4.629 4.259 21 1HD1 LEU 4 1HD1 LEU 4 -17.561 -6.522 5.414 22 2HD1 LEU 4 2HD1 LEU 4 -19.245 -6.829 4.925 23 3HD1 LEU 4 3HD1 LEU 4 -17.903 -7.483 3.956 24 1HD2 LEU 4 1HD2 LEU 4 -17.379 -4.620 1.883 25 2HD2 LEU 4 2HD2 LEU 4 -16.599 -6.094 2.504 26 3HD2 LEU 4 3HD2 LEU 4 -18.199 -6.192 1.732 27 H ILE 5 H ILE 5 -22.240 -2.925 2.924 28 HA ILE 5 HA ILE 5 -21.861 -2.577 0.159 29 HB ILE 5 HB ILE 5 -24.233 -1.680 1.785 30 2HG1 ILE 5 2HG1 ILE 5 -25.080 -4.045 1.328 31 1HG2 ILE 5 1HG2 ILE 5 -23.711 -2.313 -1.092 32 2HG2 ILE 5 2HG2 ILE 5 -25.315 -2.670 -0.407 33 3HG2 ILE 5 3HG2 ILE 5 -24.677 -1.009 -0.359 34 1HD1 ILE 5 1HD1 ILE 5 -22.174 -4.844 1.397 35 2HD1 ILE 5 2HD1 ILE 5 -23.584 -5.757 0.807 36 3HD1 ILE 5 3HD1 ILE 5 -22.906 -4.435 -0.174 37 H GLN 6 H GLN 6 -21.911 -0.374 2.961 38 HA GLN 6 HA GLN 6 -22.264 1.969 1.527 39 2HB GLN 6 2HB GLN 6 -20.778 2.793 3.668 40 2HG GLN 6 2HG GLN 6 -23.504 1.774 4.367 41 1HE2 GLN 6 1HE2 GLN 6 -21.736 4.714 3.391 42 2HE2 GLN 6 2HE2 GLN 6 -22.003 5.621 4.843 43 H VAL 7 H VAL 7 -19.229 0.345 2.699 44 HA VAL 7 HA VAL 7 -17.511 2.211 1.491 45 HB VAL 7 HB VAL 7 -16.804 0.852 3.328 46 1HG1 VAL 7 1HG1 VAL 7 -16.396 -1.650 2.919 47 2HG1 VAL 7 2HG1 VAL 7 -18.079 -1.125 3.174 48 3HG1 VAL 7 3HG1 VAL 7 -17.497 -1.479 1.530 49 1HG2 VAL 7 1HG2 VAL 7 -14.946 -0.520 1.702 50 2HG2 VAL 7 2HG2 VAL 7 -15.382 0.961 0.817 51 3HG2 VAL 7 3HG2 VAL 7 -14.753 1.070 2.479 52 H ARG 8 H ARG 8 -19.070 -0.822 0.387 53 HA ARG 8 HA ARG 8 -17.527 -1.067 -1.914 54 2HB ARG 8 2HB ARG 8 -19.714 -2.401 -2.667 55 2HG ARG 8 2HG ARG 8 -18.615 -3.552 -0.135 56 2HD ARG 8 2HD ARG 8 -17.959 -4.926 -2.620 57 HE ARG 8 HE ARG 8 -18.931 -5.605 -0.070 58 1HH1 ARG 8 2HH2 ARG 8 -19.670 -6.515 -3.414 59 2HH1 ARG 8 1HH2 ARG 8 -20.215 -8.104 -2.991 60 2HH2 ARG 8 1HH ARG 8 -20.196 -8.779 -0.692 61 H ASP 9 H ASP 9 -20.860 0.269 -1.328 62 HA ASP 9 HA ASP 9 -21.416 0.974 -3.896 63 2HB ASP 9 2HB ASP 9 -22.154 2.658 -1.466 64 HD2 ASP 9 HD ASP 9 -23.246 2.260 -4.973 65 H LEU 10 H LEU 10 -19.828 2.876 -1.234 66 HA LEU 10 HA LEU 10 -19.464 5.221 -2.703 67 2HB LEU 10 2HB LEU 10 -17.411 5.166 -0.871 68 HG LEU 10 HG LEU 10 -18.753 6.444 0.607 69 1HD1 LEU 10 1HD1 LEU 10 -18.237 7.374 -1.714 70 2HD1 LEU 10 2HD1 LEU 10 -19.950 7.073 -2.091 71 3HD1 LEU 10 3HD1 LEU 10 -19.512 8.186 -0.773 72 1HD2 LEU 10 1HD2 LEU 10 -21.349 5.900 -0.742 73 2HD2 LEU 10 2HD2 LEU 10 -20.696 4.630 0.320 74 3HD2 LEU 10 3HD2 LEU 10 -20.987 6.265 0.962 75 H LEU 11 H LEU 11 -17.322 2.352 -2.172 76 HA LEU 11 HA LEU 11 -15.125 3.299 -3.539 77 2HB LEU 11 2HB LEU 11 -15.019 0.651 -4.045 78 HG LEU 11 HG LEU 11 -14.592 1.921 -1.327 79 1HD1 LEU 11 1HD1 LEU 11 -13.600 0.013 -0.544 80 2HD1 LEU 11 2HD1 LEU 11 -14.876 -0.690 -1.567 81 3HD1 LEU 11 3HD1 LEU 11 -13.205 -0.591 -2.172 82 1HD2 LEU 11 1HD2 LEU 11 -12.998 1.804 -3.821 83 2HD2 LEU 11 2HD2 LEU 11 -13.005 3.005 -2.507 84 3HD2 LEU 11 3HD2 LEU 11 -12.117 1.476 -2.310 85 H ALA 12 H ALA 12 -18.255 2.137 -4.716 86 HA ALA 12 HA ALA 12 -17.267 1.917 -7.428 87 1HB ALA 12 1HB ALA 12 -19.007 0.506 -7.587 88 2HB ALA 12 2HB ALA 12 -19.423 0.856 -5.891 89 3HB ALA 12 3HB ALA 12 -20.137 1.827 -7.202 90 H LEU 13 H LEU 13 -19.731 3.881 -5.608 91 HA LEU 13 HA LEU 13 -20.306 5.615 -7.683 92 2HB LEU 13 2HB LEU 13 -21.081 7.133 -5.874 93 HG LEU 13 HG LEU 13 -21.896 4.299 -5.212 94 1HD1 LEU 13 1HD1 LEU 13 -23.450 6.898 -5.107 95 2HD1 LEU 13 2HD1 LEU 13 -24.012 5.290 -4.589 96 3HD1 LEU 13 3HD1 LEU 13 -22.689 6.097 -3.712 97 1HD2 LEU 13 1HD2 LEU 13 -22.067 4.347 -7.565 98 2HD2 LEU 13 2HD2 LEU 13 -23.707 4.672 -6.952 99 3HD2 LEU 13 3HD2 LEU 13 -22.705 6.008 -7.567 100 H ARG 14 H ARG 14 -18.036 6.170 -4.893 101 HA ARG 14 HA ARG 14 -16.967 8.427 -6.220 102 2HB ARG 14 2HB ARG 14 -15.234 8.198 -4.246 103 2HG ARG 14 2HG ARG 14 -16.873 9.867 -3.928 104 2HD ARG 14 2HD ARG 14 -18.946 7.620 -3.855 105 HE ARG 14 HE ARG 14 -20.056 9.283 -2.620 106 1HH1 ARG 14 2HH2 ARG 14 -18.392 10.782 -5.366 107 2HH1 ARG 14 1HH2 ARG 14 -19.140 12.327 -5.136 108 2HH2 ARG 14 1HH ARG 14 -20.695 12.621 -3.336 109 H GLY 15 H GLY 15 -16.581 5.092 -6.623 110 1HA GLY 15 1HA GLY 15 -15.141 3.894 -7.879 111 2HA GLY 15 2HA GLY 15 -14.330 5.379 -8.334 112 H ARG 16 H ARG 16 -12.251 4.290 -8.134 113 HA ARG 16 HA ARG 16 -11.457 2.983 -5.857 114 2HB ARG 16 2HB ARG 16 -10.299 3.088 -8.159 115 2HG ARG 16 2HG ARG 16 -8.497 4.828 -8.335 116 2HD ARG 16 2HD ARG 16 -11.156 6.258 -7.983 117 HE ARG 16 HE ARG 16 -9.893 7.773 -9.217 118 1HH1 ARG 16 2HH2 ARG 16 -8.971 4.503 -10.224 119 2HH1 ARG 16 1HH2 ARG 16 -7.881 5.054 -11.452 120 2HH2 ARG 16 1HH ARG 16 -7.594 7.409 -11.796 121 H MET 17 H MET 17 -10.419 3.652 -3.919 122 HA MET 17 HA MET 17 -9.340 6.167 -3.549 123 2HB MET 17 2HB MET 17 -12.154 5.806 -2.374 124 2HG MET 17 2HG MET 17 -10.620 7.143 -0.922 125 1HE MET 17 1HE MET 17 -10.942 9.525 -4.478 126 2HE MET 17 2HE MET 17 -11.848 9.763 -2.964 127 3HE MET 17 3HE MET 17 -10.444 10.793 -3.333 128 H GLU 18 H GLU 18 -8.699 6.537 -1.227 129 HA GLU 18 HA GLU 18 -7.971 4.080 -0.088 130 2HB GLU 18 2HB GLU 18 -6.556 6.093 0.075 131 2HG GLU 18 2HG GLU 18 -7.807 7.471 2.250 132 HE2 GLU 18 HE GLU 18 -5.636 7.880 1.003 133 H ALA 19 H ALA 19 -8.508 3.296 2.110 134 HA ALA 19 HA ALA 19 -11.286 3.305 2.547 135 1HB ALA 19 1HB ALA 19 -10.803 1.742 4.230 136 2HB ALA 19 2HB ALA 19 -9.441 1.543 3.101 137 3HB ALA 19 3HB ALA 19 -9.226 2.480 4.599 138 H ALA 20 H ALA 20 -8.516 5.081 3.986 139 HA ALA 20 HA ALA 20 -9.633 6.109 6.228 140 1HB ALA 20 1HB ALA 20 -7.990 7.814 6.070 141 2HB ALA 20 2HB ALA 20 -7.295 6.430 5.193 142 3HB ALA 20 3HB ALA 20 -8.012 7.787 4.291 143 H GLN 21 H GLN 21 -10.240 7.038 2.816 144 HA GLN 21 HA GLN 21 -11.813 9.271 3.578 145 2HB GLN 21 2HB GLN 21 -12.502 8.805 0.967 146 2HG GLN 21 2HG GLN 21 -10.018 9.978 0.664 147 1HE2 GLN 21 1HE2 GLN 21 -12.981 10.602 2.540 148 2HE2 GLN 21 2HE2 GLN 21 -13.521 11.983 1.645 149 H ILE 22 H ILE 22 -12.477 5.964 2.238 150 HA ILE 22 HA ILE 22 -15.231 6.191 2.133 151 HB ILE 22 HB ILE 22 -13.555 3.739 2.687 152 2HG1 ILE 22 2HG1 ILE 22 -13.245 5.390 0.555 153 1HG2 ILE 22 1HG2 ILE 22 -16.432 4.166 2.188 154 2HG2 ILE 22 2HG2 ILE 22 -15.668 2.901 1.197 155 3HG2 ILE 22 3HG2 ILE 22 -15.583 2.813 2.972 156 1HD1 ILE 22 1HD1 ILE 22 -12.971 2.763 -0.493 157 2HD1 ILE 22 2HD1 ILE 22 -11.702 3.761 0.257 158 3HD1 ILE 22 3HD1 ILE 22 -12.650 2.629 1.253 159 H SER 23 H SER 23 -13.024 5.448 4.858 160 HA SER 23 HA SER 23 -14.983 4.586 6.610 161 2HB SER 23 2HB SER 23 -12.512 4.326 6.932 162 HG SER 23 HG SER 23 -11.244 6.038 7.547 163 H GLN 24 H GLN 24 -13.528 7.865 6.047 164 HA GLN 24 HA GLN 24 -14.905 9.177 8.018 165 2HB GLN 24 2HB GLN 24 -14.645 11.022 5.899 166 2HG GLN 24 2HG GLN 24 -12.161 10.931 7.242 167 1HE2 GLN 24 1HE2 GLN 24 -12.829 12.244 9.606 168 2HE2 GLN 24 2HE2 GLN 24 -13.625 13.739 9.247 169 H THR 25 H THR 25 -15.826 8.474 4.598 170 HA THR 25 HA THR 25 -18.079 9.976 4.341 171 HB THR 25 HB THR 25 -17.357 7.156 3.413 172 HG1 THR 25 1HG THR 25 -16.143 9.076 2.678 173 1HG2 THR 25 1HG2 THR 25 -19.892 8.670 3.095 174 2HG2 THR 25 2HG2 THR 25 -19.117 8.256 1.546 175 3HG2 THR 25 3HG2 THR 25 -19.539 6.970 2.703 176 H LEU 26 H LEU 26 -17.788 6.808 6.042 177 HA LEU 26 HA LEU 26 -20.525 7.238 6.999 178 2HB LEU 26 2HB LEU 26 -20.682 5.159 6.202 179 HG LEU 26 HG LEU 26 -17.700 4.945 6.483 180 1HD1 LEU 26 1HD1 LEU 26 -17.775 2.563 5.985 181 2HD1 LEU 26 2HD1 LEU 26 -18.585 2.910 7.531 182 3HD1 LEU 26 3HD1 LEU 26 -19.552 2.582 6.074 183 1HD2 LEU 26 1HD2 LEU 26 -18.463 5.829 4.403 184 2HD2 LEU 26 2HD2 LEU 26 -17.935 4.154 4.113 185 3HD2 LEU 26 3HD2 LEU 26 -19.671 4.534 4.224 186 H ASN 27 H ASN 27 -18.195 8.771 7.955 187 HA ASN 27 HA ASN 27 -17.060 9.235 9.773 188 2HB ASN 27 2HB ASN 27 -19.407 8.348 11.467 189 1HD2 ASN 27 1HD2 ASN 27 -19.933 9.947 13.024 190 2HD2 ASN 27 2HD2 ASN 27 -18.769 11.115 13.554 191 H THR 28 H THR 28 -16.831 6.386 8.901 192 HA THR 28 HA THR 28 -16.810 4.860 11.373 193 HB THR 28 HB THR 28 -16.956 4.374 8.489 194 HG1 THR 28 1HG THR 28 -17.191 2.941 11.033 195 1HG2 THR 28 1HG2 THR 28 -14.796 2.968 10.111 196 2HG2 THR 28 2HG2 THR 28 -15.688 2.093 8.843 197 3HG2 THR 28 3HG2 THR 28 -14.723 3.529 8.424 198 HA PRO 29 HA PRO 29 -12.646 5.458 12.219 199 2HB PRO 29 2HB PRO 29 -12.888 4.618 14.349 200 2HG PRO 29 2HG PRO 29 -14.704 3.224 14.634 201 2HD PRO 29 2HD PRO 29 -16.056 3.962 12.926 202 H GLN 30 H GLN 30 -10.735 5.373 11.186 203 HA GLN 30 HA GLN 30 -10.459 4.101 8.896 204 2HB GLN 30 2HB GLN 30 -7.944 3.968 10.444 205 2HG GLN 30 2HG GLN 30 -7.428 5.830 8.688 206 1HE2 GLN 30 1HE2 GLN 30 -9.177 3.871 6.608 207 2HE2 GLN 30 2HE2 GLN 30 -8.001 2.644 6.273 208 HA PRO 31 HA PRO 31 -8.866 0.174 11.030 209 2HB PRO 31 2HB PRO 31 -7.602 0.457 12.935 210 2HG PRO 31 2HG PRO 31 -7.931 2.467 14.018 211 2HD PRO 31 2HD PRO 31 -8.697 3.751 12.272 212 H MET 32 H MET 32 -11.216 0.529 9.896 213 HA MET 32 HA MET 32 -12.745 -1.456 11.330 214 2HB MET 32 2HB MET 32 -14.177 0.980 10.195 215 2HG MET 32 2HG MET 32 -15.211 -0.063 12.693 216 1HE MET 32 1HE MET 32 -18.028 -1.705 11.210 217 2HE MET 32 2HE MET 32 -17.404 -0.942 12.693 218 3HE MET 32 3HE MET 32 -18.690 -0.146 11.756 219 H ILE 33 H ILE 33 -12.442 0.672 8.418 220 HA ILE 33 HA ILE 33 -13.973 -1.125 6.806 221 HB ILE 33 HB ILE 33 -12.250 1.249 6.086 222 2HG1 ILE 33 2HG1 ILE 33 -14.241 2.559 6.098 223 1HG2 ILE 33 1HG2 ILE 33 -12.774 -0.513 4.277 224 2HG2 ILE 33 2HG2 ILE 33 -14.446 0.090 4.383 225 3HG2 ILE 33 3HG2 ILE 33 -13.127 1.197 3.930 226 1HD1 ILE 33 1HD1 ILE 33 -15.555 -0.109 6.130 227 2HD1 ILE 33 2HD1 ILE 33 -16.294 1.101 7.206 228 3HD1 ILE 33 3HD1 ILE 33 -16.135 1.437 5.466 229 H ASN 34 H ASN 34 -10.512 -0.464 7.474 230 HA ASN 34 HA ASN 34 -9.382 -1.810 5.425 231 2HB ASN 34 2HB ASN 34 -7.567 -2.414 7.240 232 1HD2 ASN 34 1HD2 ASN 34 -7.802 0.368 8.735 233 2HD2 ASN 34 2HD2 ASN 34 -7.176 1.492 7.576 234 H ALA 35 H ALA 35 -10.874 -3.030 8.466 235 HA ALA 35 HA ALA 35 -9.982 -5.666 8.324 236 1HB ALA 35 1HB ALA 35 -11.373 -4.173 10.105 237 2HB ALA 35 2HB ALA 35 -12.710 -5.107 9.393 238 3HB ALA 35 3HB ALA 35 -11.337 -5.952 10.147 239 H MET 36 H MET 36 -12.904 -4.027 6.962 240 HA MET 36 HA MET 36 -13.989 -6.376 5.920 241 2HB MET 36 2HB MET 36 -15.520 -4.856 4.776 242 2HG MET 36 2HG MET 36 -15.112 -2.836 6.798 243 1HE MET 36 1HE MET 36 -18.701 -2.727 7.494 244 2HE MET 36 2HE MET 36 -17.267 -2.663 8.546 245 3HE MET 36 3HE MET 36 -17.226 -1.900 6.938 246 H LEU 37 H LEU 37 -11.970 -3.750 4.444 247 HA LEU 37 HA LEU 37 -11.964 -4.743 1.860 248 2HB LEU 37 2HB LEU 37 -9.790 -3.460 1.695 249 HG LEU 37 HG LEU 37 -12.276 -2.138 2.774 250 1HD1 LEU 37 1HD1 LEU 37 -10.916 -0.030 1.788 251 2HD1 LEU 37 2HD1 LEU 37 -10.930 -0.483 3.510 252 3HD1 LEU 37 3HD1 LEU 37 -9.569 -0.973 2.472 253 1HD2 LEU 37 1HD2 LEU 37 -12.857 -2.484 0.642 254 2HD2 LEU 37 2HD2 LEU 37 -11.761 -1.129 0.276 255 3HD2 LEU 37 3HD2 LEU 37 -11.181 -2.807 0.133 256 H GLN 38 H GLN 38 -10.068 -5.658 4.753 257 HA GLN 38 HA GLN 38 -8.165 -7.156 3.410 258 2HB GLN 38 2HB GLN 38 -8.959 -8.171 6.079 259 2HG GLN 38 2HG GLN 38 -6.440 -6.794 6.031 260 1HE2 GLN 38 1HE2 GLN 38 -5.085 -7.977 7.182 261 2HE2 GLN 38 2HE2 GLN 38 -5.267 -9.652 7.587 262 H GLN 39 H GLN 39 -11.481 -7.898 4.540 263 HA GLN 39 HA GLN 39 -11.235 -10.668 4.124 264 2HB GLN 39 2HB GLN 39 -13.951 -9.476 3.934 265 2HG GLN 39 2HG GLN 39 -13.972 -10.992 6.156 266 1HE2 GLN 39 1HE2 GLN 39 -15.432 -12.518 5.846 267 2HE2 GLN 39 2HE2 GLN 39 -15.883 -13.221 4.329 268 H LEU 40 H LEU 40 -12.552 -7.912 2.191 269 HA LEU 40 HA LEU 40 -13.541 -9.459 0.091 270 2HB LEU 40 2HB LEU 40 -13.491 -7.356 -1.172 271 HG LEU 40 HG LEU 40 -14.462 -7.160 1.680 272 1HD1 LEU 40 1HD1 LEU 40 -15.564 -5.157 -0.132 273 2HD1 LEU 40 2HD1 LEU 40 -14.947 -4.991 1.529 274 3HD1 LEU 40 3HD1 LEU 40 -13.820 -4.941 0.152 275 1HD2 LEU 40 1HD2 LEU 40 -16.419 -6.968 -0.467 276 2HD2 LEU 40 2HD2 LEU 40 -15.466 -8.469 -0.553 277 3HD2 LEU 40 3HD2 LEU 40 -16.355 -8.062 0.935 278 H GLU 41 H GLU 41 -10.294 -8.054 0.755 279 HA GLU 41 HA GLU 41 -9.188 -8.564 -1.700 280 2HB GLU 41 2HB GLU 41 -7.891 -8.614 1.060 281 2HG GLU 41 2HG GLU 41 -6.246 -7.689 -1.181 282 HE2 GLU 41 HE GLU 41 -4.515 -7.525 0.067 283 H SER 42 H SER 42 -9.291 -10.658 1.264 284 HA SER 42 HA SER 42 -7.833 -12.737 0.278 285 2HB SER 42 2HB SER 42 -10.286 -13.137 2.025 286 HG SER 42 HG SER 42 -8.096 -14.278 3.037 287 H MET 43 H MET 43 -11.432 -12.229 0.146 288 HA MET 43 HA MET 43 -11.987 -14.554 -1.228 289 2HB MET 43 2HB MET 43 -14.068 -13.106 -1.970 290 2HG MET 43 2HG MET 43 -13.880 -12.823 0.980 291 1HE MET 43 1HE MET 43 -17.347 -12.509 0.989 292 2HE MET 43 2HE MET 43 -16.654 -13.723 2.091 293 3HE MET 43 3HE MET 43 -15.716 -12.273 1.660 294 H GLY 44 H GLY 44 -11.261 -11.216 -2.420 295 1HA GLY 44 1HA GLY 44 -10.042 -10.844 -4.387 296 2HA GLY 44 2HA GLY 44 -10.576 -12.385 -5.027 297 H LYS 45 H LYS 45 -12.471 -9.699 -3.488 298 HA LYS 45 HA LYS 45 -14.183 -9.732 -5.855 299 2HB LYS 45 2HB LYS 45 -15.914 -8.947 -4.502 300 2HG LYS 45 2HG LYS 45 -15.547 -10.247 -2.224 301 2HD LYS 45 2HD LYS 45 -15.195 -12.128 -4.518 302 2HE LYS 45 2HE LYS 45 -17.108 -11.713 -2.202 303 1HZ LYS 45 1HZ LYS 45 -18.529 -13.369 -3.110 304 2HZ LYS 45 2HZ LYS 45 -18.344 -12.294 -4.320 305 H ALA 46 H ALA 46 -12.398 -7.484 -3.645 306 HA ALA 46 HA ALA 46 -12.760 -5.359 -5.599 307 1HB ALA 46 1HB ALA 46 -12.877 -4.172 -3.694 308 2HB ALA 46 2HB ALA 46 -12.373 -5.582 -2.731 309 3HB ALA 46 3HB ALA 46 -11.147 -4.504 -3.439 310 H VAL 47 H VAL 47 -10.596 -3.916 -5.772 311 HA VAL 47 HA VAL 47 -8.351 -5.747 -6.217 312 HB VAL 47 HB VAL 47 -7.904 -4.705 -8.350 313 1HG1 VAL 47 1HG1 VAL 47 -10.178 -5.368 -9.511 314 2HG1 VAL 47 2HG1 VAL 47 -9.160 -6.602 -8.732 315 3HG1 VAL 47 3HG1 VAL 47 -10.589 -5.964 -7.884 316 1HG2 VAL 47 1HG2 VAL 47 -8.882 -2.834 -9.151 317 2HG2 VAL 47 2HG2 VAL 47 -10.499 -3.305 -8.575 318 3HG2 VAL 47 3HG2 VAL 47 -9.335 -2.560 -7.453 319 H ARG 48 H ARG 48 -6.240 -4.680 -6.166 320 HA ARG 48 HA ARG 48 -6.327 -2.512 -4.306 321 2HB ARG 48 2HB ARG 48 -3.645 -2.927 -4.819 322 2HG ARG 48 2HG ARG 48 -4.424 -5.057 -3.087 323 2HD ARG 48 2HD ARG 48 -3.909 -2.180 -2.232 324 HE ARG 48 HE ARG 48 -4.162 -4.455 -0.713 325 1HH1 ARG 48 2HH2 ARG 48 -1.373 -2.410 -1.480 326 2HH1 ARG 48 1HH2 ARG 48 -0.555 -2.753 0.008 327 2HH2 ARG 48 1HH ARG 48 -1.580 -4.225 1.598 328 H ILE 49 H ILE 49 -5.559 -0.377 -4.699 329 HA ILE 49 HA ILE 49 -4.877 0.168 -7.506 330 HB ILE 49 HB ILE 49 -6.567 1.726 -5.558 331 2HG1 ILE 49 2HG1 ILE 49 -8.353 1.295 -6.939 332 1HG2 ILE 49 1HG2 ILE 49 -5.480 2.661 -8.229 333 2HG2 ILE 49 2HG2 ILE 49 -6.678 3.513 -7.227 334 3HG2 ILE 49 3HG2 ILE 49 -5.019 3.283 -6.625 335 1HD1 ILE 49 1HD1 ILE 49 -6.371 0.663 -9.176 336 2HD1 ILE 49 2HD1 ILE 49 -8.144 0.585 -9.314 337 3HD1 ILE 49 3HD1 ILE 49 -7.341 2.148 -9.035 338 H GLN 50 H GLN 50 -3.313 1.878 -7.879 339 HA GLN 50 HA GLN 50 -1.597 2.204 -5.544 340 2HB GLN 50 2HB GLN 50 -0.956 2.047 -8.513 341 2HG GLN 50 2HG GLN 50 0.695 3.073 -6.186 342 1HE2 GLN 50 1HE2 GLN 50 1.840 1.084 -5.902 343 2HE2 GLN 50 2HE2 GLN 50 3.116 0.628 -6.979 344 H GLU 51 H GLU 51 -0.499 4.300 -5.267 345 HA GLU 51 HA GLU 51 -2.205 6.419 -6.240 346 2HB GLU 51 2HB GLU 51 -0.082 7.284 -4.436 347 2HG GLU 51 2HG GLU 51 -2.941 6.987 -3.565 348 HE2 GLU 51 HE GLU 51 -0.553 9.986 -3.878 349 H GLU 52 H GLU 52 -0.949 8.612 -6.680 350 HA GLU 52 HA GLU 52 0.383 8.388 -8.985 351 2HB GLU 52 2HB GLU 52 1.542 10.667 -7.927 352 2HG GLU 52 2HG GLU 52 -1.259 11.184 -8.508 353 HE2 GLU 52 HE GLU 52 0.998 10.833 -11.190 354 HA PRO 53 HA PRO 53 4.281 6.778 -7.864 355 2HB PRO 53 2HB PRO 53 4.401 5.528 -9.794 356 2HG PRO 53 2HG PRO 53 2.971 6.207 -11.471 357 2HD PRO 53 2HD PRO 53 1.358 7.273 -10.226 358 H ASP 54 H ASP 54 6.753 7.382 -8.992 359 HA ASP 54 HA ASP 54 6.896 10.188 -8.209 360 2HB ASP 54 2HB ASP 54 8.082 9.148 -6.488 361 HD2 ASP 54 HD ASP 54 8.144 6.116 -6.264 362 H GLY 55 H GLY 55 8.980 11.265 -9.191 363 1HA GLY 55 1HA GLY 55 9.146 10.497 -12.002 364 2HA GLY 55 2HA GLY 55 9.683 11.996 -11.269 365 H CYS 56 H CYS 56 11.658 11.923 -9.838 366 HA CYS 56 HA CYS 56 13.755 11.399 -9.469 367 2HB CYS 56 2HB CYS 56 14.443 8.956 -9.518 368 HG CYS 56 HG CYS 56 12.377 8.139 -7.695 369 H LEU 57 H LEU 57 15.441 11.975 -10.809 370 HA LEU 57 HA LEU 57 15.097 11.567 -13.640 371 2HB LEU 57 2HB LEU 57 17.360 12.855 -13.585 372 HG LEU 57 HG LEU 57 16.307 15.024 -13.276 373 1HD1 LEU 57 1HD1 LEU 57 15.836 13.403 -15.295 374 2HD1 LEU 57 2HD1 LEU 57 14.175 13.443 -14.658 375 3HD1 LEU 57 3HD1 LEU 57 14.979 14.955 -15.143 376 1HD2 LEU 57 1HD2 LEU 57 13.790 13.613 -12.374 377 2HD2 LEU 57 2HD2 LEU 57 14.973 14.320 -11.247 378 3HD2 LEU 57 3HD2 LEU 57 14.124 15.360 -12.416 379 H SER 58 H SER 58 17.267 10.966 -14.877 380 HA SER 58 HA SER 58 19.063 9.275 -13.642 381 2HB SER 58 2HB SER 58 17.507 7.431 -15.329 382 HG SER 58 HG SER 58 18.440 7.371 -12.585 383 H GLY 59 H GLY 59 20.406 8.043 -15.366 384 1HA GLY 59 1HA GLY 59 20.000 9.029 -18.089 385 2HA GLY 59 2HA GLY 59 21.462 9.529 -17.260 386 H SER 60 H SER 60 19.666 6.790 -18.647 387 HA SER 60 HA SER 60 20.233 4.764 -19.188 388 2HB SER 60 2HB SER 60 23.026 4.745 -19.537 389 HG SER 60 HG SER 60 22.505 4.972 -21.734 390 H CYS 61 H CYS 61 19.695 3.936 -17.028 391 HA CYS 61 HA CYS 61 21.807 2.460 -15.910 392 2HB CYS 61 2HB CYS 61 21.129 3.781 -13.558 393 HG CYS 61 HG CYS 61 23.396 2.596 -14.076 394 H LYS 62 H LYS 62 20.931 0.937 -14.274 395 HA LYS 62 HA LYS 62 18.017 1.050 -14.023 396 2HB LYS 62 2HB LYS 62 19.456 -1.523 -14.678 397 2HG LYS 62 2HG LYS 62 16.873 -1.568 -15.686 398 2HD LYS 62 2HD LYS 62 17.965 -2.435 -12.975 399 2HE LYS 62 2HE LYS 62 15.231 -2.226 -13.660 400 1HZ LYS 62 1HZ LYS 62 15.909 -4.331 -15.044 401 2HZ LYS 62 2HZ LYS 62 15.853 -5.095 -13.607 402 H SER 63 H SER 63 17.721 1.352 -11.876 403 HA SER 63 HA SER 63 18.755 -0.637 -10.132 404 2HB SER 63 2HB SER 63 19.637 2.261 -9.772 405 HG SER 63 HG SER 63 20.615 0.124 -8.166 406 H CYS 64 H CYS 64 17.530 -0.729 -8.154 407 HA CYS 64 HA CYS 64 15.498 1.345 -7.869 408 2HB CYS 64 2HB CYS 64 14.000 -0.771 -7.182 409 HG CYS 64 HG CYS 64 13.512 1.343 -8.811 410 HA PRO 65 HA PRO 65 17.669 0.181 -4.020 411 2HB PRO 65 2HB PRO 65 19.581 1.444 -4.238 412 2HG PRO 65 2HG PRO 65 19.558 2.932 -6.000 413 2HD PRO 65 2HD PRO 65 18.021 1.914 -7.372 414 H GLU 66 H GLU 66 17.665 1.929 -1.852 415 HA GLU 66 HA GLU 66 16.263 2.309 -0.208 416 2HB GLU 66 2HB GLU 66 14.535 3.924 -2.085 417 2HG GLU 66 2HG GLU 66 15.685 5.419 0.063 418 HE2 GLU 66 HE GLU 66 12.511 5.960 1.159 419 H GLY 67 H GLY 67 15.294 0.313 0.300 420 1HA GLY 67 1HA GLY 67 12.804 -0.356 -1.123 421 2HA GLY 67 2HA GLY 67 13.795 -1.448 -0.176 422 H LYS 68 H LYS 68 11.638 1.435 0.048 423 HA LYS 68 HA LYS 68 11.207 0.777 2.870 424 2HB LYS 68 2HB LYS 68 10.295 3.068 3.042 425 2HG LYS 68 2HG LYS 68 12.588 4.199 2.208 426 2HD LYS 68 2HD LYS 68 11.701 3.254 4.605 427 2HE LYS 68 2HE LYS 68 13.670 1.282 3.578 428 1HZ LYS 68 1HZ LYS 68 15.036 1.239 5.416 429 2HZ LYS 68 2HZ LYS 68 14.805 2.850 5.351 430 H ALA 69 H ALA 69 8.764 1.533 3.484 431 HA ALA 69 HA ALA 69 7.105 -0.417 2.583 432 1HB ALA 69 1HB ALA 69 5.395 0.744 3.728 433 2HB ALA 69 2HB ALA 69 6.891 1.272 4.537 434 3HB ALA 69 3HB ALA 69 6.098 2.336 3.350 435 H CYS 70 H CYS 70 4.991 -0.128 1.299 436 HA CYS 70 HA CYS 70 5.742 0.993 -1.250 437 2HB CYS 70 2HB CYS 70 3.583 -0.112 -2.001 438 HG CYS 70 HG CYS 70 5.622 -2.061 -0.274 439 H LEU 71 H LEU 71 4.306 2.521 -2.402 440 HA LEU 71 HA LEU 71 3.538 4.677 -0.888 441 2HB LEU 71 2HB LEU 71 2.052 5.054 -3.068 442 HG LEU 71 HG LEU 71 4.029 5.817 -4.332 443 1HD1 LEU 71 1HD1 LEU 71 3.190 7.446 -2.894 444 2HD1 LEU 71 2HD1 LEU 71 3.729 6.580 -1.434 445 3HD1 LEU 71 3HD1 LEU 71 4.921 7.380 -2.486 446 1HD2 LEU 71 1HD2 LEU 71 6.276 5.637 -3.333 447 2HD2 LEU 71 2HD2 LEU 71 5.615 4.564 -2.075 448 3HD2 LEU 71 3HD2 LEU 71 5.597 4.053 -3.781 449 H ARG 72 H ARG 72 1.291 5.616 -0.635 450 HA ARG 72 HA ARG 72 -0.217 3.857 0.856 451 2HB ARG 72 2HB ARG 72 -2.004 5.884 0.231 452 2HG ARG 72 2HG ARG 72 0.090 6.842 2.061 453 2HD ARG 72 2HD ARG 72 -2.810 6.514 1.932 454 HE ARG 72 HE ARG 72 -1.605 4.958 4.002 455 1HH1 ARG 72 2HH2 ARG 72 -4.087 7.458 3.624 456 2HH1 ARG 72 1HH2 ARG 72 -4.990 6.946 5.011 457 2HH2 ARG 72 1HH ARG 72 -4.211 5.077 6.294 458 H GLU 73 H GLU 73 -0.798 1.984 -0.384 459 HA GLU 73 HA GLU 73 -1.886 2.137 -2.926 460 2HB GLU 73 2HB GLU 73 -2.666 -0.235 -2.419 461 2HG GLU 73 2HG GLU 73 -0.094 -0.765 -1.519 462 HE2 GLU 73 HE GLU 73 0.989 -1.733 -3.210 463 H TRP 74 H TRP 74 -4.050 2.088 -3.706 464 HA TRP 74 HA TRP 74 -6.006 2.968 -1.710 465 2HB TRP 74 2HB TRP 74 -7.251 3.560 -3.939 466 HD1 TRP 74 HD TRP 74 -5.582 4.828 -1.126 467 HE1 TRP 74 1HE TRP 74 -5.160 7.433 -1.073 468 HE3 TRP 74 3HE TRP 74 -6.266 5.571 -6.111 469 HZ2 TRP 74 2HZ TRP 74 -5.159 9.465 -3.076 470 HZ3 TRP 74 3HZ TRP 74 -6.036 7.895 -6.980 471 HH2 TRP 74 HH TRP 74 -5.502 9.806 -5.551 472 H TRP 75 H TRP 75 -8.359 2.200 -2.379 473 HA TRP 75 HA TRP 75 -8.184 -0.616 -3.208 474 2HB TRP 75 2HB TRP 75 -10.073 -1.012 -1.598 475 HD1 TRP 75 HD TRP 75 -7.617 0.861 0.653 476 HE1 TRP 75 1HE TRP 75 -5.935 -0.784 1.847 477 HE3 TRP 75 3HE TRP 75 -8.923 -3.256 -2.028 478 HZ2 TRP 75 2HZ TRP 75 -5.352 -3.561 1.542 479 HZ3 TRP 75 3HZ TRP 75 -7.750 -5.395 -1.518 480 HH2 TRP 75 HH TRP 75 -6.019 -5.588 0.198 481 H ALA 76 H ALA 76 -10.023 -1.369 -4.441 482 HA ALA 76 HA ALA 76 -12.122 0.497 -5.052 483 1HB ALA 76 1HB ALA 76 -10.309 1.290 -6.533 484 2HB ALA 76 2HB ALA 76 -10.134 -0.353 -7.197 485 3HB ALA 76 3HB ALA 76 -11.636 0.562 -7.470 486 H LEU 77 H LEU 77 -13.455 -0.641 -7.027 487 HA LEU 77 HA LEU 77 -13.782 -3.389 -6.097 488 2HB LEU 77 2HB LEU 77 -16.002 -3.260 -6.817 489 HG LEU 77 HG LEU 77 -15.266 -0.519 -5.759 490 1HD1 LEU 77 1HD1 LEU 77 -18.058 -1.664 -5.820 491 2HD1 LEU 77 2HD1 LEU 77 -17.537 -0.003 -5.450 492 3HD1 LEU 77 3HD1 LEU 77 -17.426 -0.621 -7.116 493 1HD2 LEU 77 1HD2 LEU 77 -15.360 -3.048 -4.522 494 2HD2 LEU 77 2HD2 LEU 77 -15.206 -1.452 -3.747 495 3HD2 LEU 77 3HD2 LEU 77 -16.815 -2.176 -3.983 496 H ARG 78 H ARG 78 -14.168 -5.112 -7.696 497 HA ARG 78 HA ARG 78 -12.229 -4.972 -9.702 498 2HB ARG 78 2HB ARG 78 -14.443 -6.993 -9.109 499 2HG ARG 78 2HG ARG 78 -13.608 -6.986 -11.553 500 2HD ARG 78 2HD ARG 78 -11.077 -8.006 -10.173 501 HE ARG 78 HE ARG 78 -10.997 -9.104 -12.251 502 1HH1 ARG 78 2HH2 ARG 78 -12.047 -5.755 -12.737 503 2HH1 ARG 78 1HH2 ARG 78 -11.922 -5.836 -14.462 504 2HH2 ARG 78 1HH ARG 78 -11.206 -7.878 -15.493 Start of MODEL 17 1 1H MET 1 H MET 1 -21.499 1.784 12.474 2 HA MET 1 HA MET 1 -23.983 1.376 12.389 3 2HB MET 1 2HB MET 1 -24.556 4.164 11.815 4 2HG MET 1 2HG MET 1 -25.484 2.053 13.757 5 1HE MET 1 1HE MET 1 -25.208 2.812 16.220 6 2HE MET 1 2HE MET 1 -23.995 3.872 15.464 7 3HE MET 1 3HE MET 1 -25.133 4.535 16.662 8 H ALA 2 H ALA 2 -22.929 0.426 10.506 9 HA ALA 2 HA ALA 2 -23.515 1.814 8.126 10 1HB ALA 2 1HB ALA 2 -21.491 2.596 7.410 11 2HB ALA 2 2HB ALA 2 -21.164 2.704 9.157 12 3HB ALA 2 3HB ALA 2 -20.583 1.301 8.228 13 H SER 3 H SER 3 -22.018 0.421 6.280 14 HA SER 3 HA SER 3 -21.777 -2.291 7.069 15 2HB SER 3 2HB SER 3 -24.159 -2.385 6.834 16 HG SER 3 HG SER 3 -24.570 -0.438 5.683 17 H LEU 4 H LEU 4 -21.220 -3.682 5.020 18 HA LEU 4 HA LEU 4 -19.165 -2.392 3.649 19 2HB LEU 4 2HB LEU 4 -20.370 -4.829 2.474 20 HG LEU 4 HG LEU 4 -18.171 -4.335 1.715 21 1HD1 LEU 4 1HD1 LEU 4 -16.272 -4.249 3.491 22 2HD1 LEU 4 2HD1 LEU 4 -17.248 -2.795 3.173 23 3HD1 LEU 4 3HD1 LEU 4 -17.579 -3.792 4.610 24 1HD2 LEU 4 1HD2 LEU 4 -18.514 -6.628 3.573 25 2HD2 LEU 4 2HD2 LEU 4 -18.131 -6.597 1.836 26 3HD2 LEU 4 3HD2 LEU 4 -16.858 -6.266 3.034 27 H ILE 5 H ILE 5 -22.583 -3.105 2.780 28 HA ILE 5 HA ILE 5 -22.540 -2.505 0.127 29 HB ILE 5 HB ILE 5 -24.706 -1.661 2.048 30 2HG1 ILE 5 2HG1 ILE 5 -23.673 -4.337 1.414 31 1HG2 ILE 5 1HG2 ILE 5 -24.695 -1.072 -0.499 32 2HG2 ILE 5 2HG2 ILE 5 -25.138 -2.784 -0.698 33 3HG2 ILE 5 3HG2 ILE 5 -26.170 -1.705 0.271 34 1HD1 ILE 5 1HD1 ILE 5 -24.485 -2.927 3.659 35 2HD1 ILE 5 2HD1 ILE 5 -25.891 -3.969 3.340 36 3HD1 ILE 5 3HD1 ILE 5 -24.284 -4.694 3.583 37 H GLN 6 H GLN 6 -22.557 -0.250 2.932 38 HA GLN 6 HA GLN 6 -22.958 2.055 1.482 39 2HB GLN 6 2HB GLN 6 -21.267 2.776 3.609 40 2HG GLN 6 2HG GLN 6 -24.123 2.290 4.291 41 1HE2 GLN 6 1HE2 GLN 6 -21.662 4.652 3.262 42 2HE2 GLN 6 2HE2 GLN 6 -21.853 5.759 4.581 43 H VAL 7 H VAL 7 -19.905 0.328 2.375 44 HA VAL 7 HA VAL 7 -18.249 2.265 1.113 45 HB VAL 7 HB VAL 7 -17.752 -0.568 2.046 46 1HG1 VAL 7 1HG1 VAL 7 -16.002 -0.205 0.551 47 2HG1 VAL 7 2HG1 VAL 7 -15.910 1.534 0.920 48 3HG1 VAL 7 3HG1 VAL 7 -15.314 0.341 2.099 49 1HG2 VAL 7 1HG2 VAL 7 -17.621 2.125 3.362 50 2HG2 VAL 7 2HG2 VAL 7 -18.212 0.571 3.997 51 3HG2 VAL 7 3HG2 VAL 7 -16.463 0.864 3.851 52 H ARG 8 H ARG 8 -19.489 -1.025 0.242 53 HA ARG 8 HA ARG 8 -18.167 -1.338 -2.086 54 2HB ARG 8 2HB ARG 8 -20.375 -2.597 -2.800 55 2HG ARG 8 2HG ARG 8 -19.139 -3.338 -0.111 56 2HD ARG 8 2HD ARG 8 -20.178 -5.042 -2.428 57 HE ARG 8 HE ARG 8 -18.416 -5.764 -0.372 58 1HH1 ARG 8 2HH2 ARG 8 -21.659 -6.763 -1.393 59 2HH1 ARG 8 1HH2 ARG 8 -21.486 -8.378 -0.791 60 2HH2 ARG 8 1HH ARG 8 -19.437 -9.021 0.272 61 H ASP 9 H ASP 9 -21.038 0.680 -1.368 62 HA ASP 9 HA ASP 9 -21.634 1.186 -4.073 63 2HB ASP 9 2HB ASP 9 -22.350 3.029 -1.768 64 HD2 ASP 9 HD ASP 9 -24.948 2.388 -4.764 65 H LEU 10 H LEU 10 -20.017 2.999 -1.364 66 HA LEU 10 HA LEU 10 -19.451 5.309 -2.808 67 2HB LEU 10 2HB LEU 10 -17.437 5.100 -0.945 68 HG LEU 10 HG LEU 10 -18.703 6.464 0.514 69 1HD1 LEU 10 1HD1 LEU 10 -18.158 7.308 -1.871 70 2HD1 LEU 10 2HD1 LEU 10 -19.916 7.211 -2.135 71 3HD1 LEU 10 3HD1 LEU 10 -19.265 8.257 -0.850 72 1HD2 LEU 10 1HD2 LEU 10 -21.162 6.746 0.317 73 2HD2 LEU 10 2HD2 LEU 10 -21.188 5.419 -0.870 74 3HD2 LEU 10 3HD2 LEU 10 -20.670 5.106 0.804 75 H LEU 11 H LEU 11 -17.449 2.347 -2.198 76 HA LEU 11 HA LEU 11 -15.213 3.168 -3.585 77 2HB LEU 11 2HB LEU 11 -15.074 0.556 -3.978 78 HG LEU 11 HG LEU 11 -15.100 1.532 -1.116 79 1HD1 LEU 11 1HD1 LEU 11 -13.295 -0.509 -2.428 80 2HD1 LEU 11 2HD1 LEU 11 -13.508 -0.175 -0.693 81 3HD1 LEU 11 3HD1 LEU 11 -14.827 -0.925 -1.624 82 1HD2 LEU 11 1HD2 LEU 11 -13.744 3.172 -1.908 83 2HD2 LEU 11 2HD2 LEU 11 -12.533 1.873 -1.768 84 3HD2 LEU 11 3HD2 LEU 11 -13.264 2.242 -3.349 85 H ALA 12 H ALA 12 -18.400 2.237 -4.736 86 HA ALA 12 HA ALA 12 -17.436 1.763 -7.424 87 1HB ALA 12 1HB ALA 12 -20.091 1.718 -7.691 88 2HB ALA 12 2HB ALA 12 -19.207 0.347 -6.978 89 3HB ALA 12 3HB ALA 12 -20.025 1.526 -5.923 90 H LEU 13 H LEU 13 -19.768 4.044 -5.806 91 HA LEU 13 HA LEU 13 -20.017 5.734 -7.991 92 2HB LEU 13 2HB LEU 13 -20.567 7.408 -6.028 93 HG LEU 13 HG LEU 13 -22.788 6.559 -5.777 94 1HD1 LEU 13 1HD1 LEU 13 -23.506 6.611 -7.982 95 2HD1 LEU 13 2HD1 LEU 13 -21.911 7.395 -8.071 96 3HD1 LEU 13 3HD1 LEU 13 -22.098 5.698 -8.575 97 1HD2 LEU 13 1HD2 LEU 13 -21.639 3.918 -6.693 98 2HD2 LEU 13 2HD2 LEU 13 -22.484 4.299 -5.173 99 3HD2 LEU 13 3HD2 LEU 13 -23.383 4.272 -6.709 100 H ARG 14 H ARG 14 -17.972 6.182 -5.016 101 HA ARG 14 HA ARG 14 -16.636 8.351 -6.181 102 2HB ARG 14 2HB ARG 14 -14.964 7.743 -4.181 103 2HG ARG 14 2HG ARG 14 -16.314 9.667 -3.876 104 2HD ARG 14 2HD ARG 14 -18.721 7.783 -3.940 105 HE ARG 14 HE ARG 14 -18.655 10.115 -2.508 106 1HH1 ARG 14 2HH2 ARG 14 -20.206 9.293 -5.586 107 2HH1 ARG 14 1HH2 ARG 14 -21.498 10.428 -5.379 108 2HH2 ARG 14 1HH ARG 14 -21.568 11.781 -3.402 109 H GLY 15 H GLY 15 -16.411 4.940 -6.588 110 1HA GLY 15 1HA GLY 15 -15.025 3.670 -7.829 111 2HA GLY 15 2HA GLY 15 -14.229 5.128 -8.387 112 H ARG 16 H ARG 16 -12.145 4.047 -8.233 113 HA ARG 16 HA ARG 16 -11.277 2.881 -5.880 114 2HB ARG 16 2HB ARG 16 -10.112 2.401 -7.949 115 2HG ARG 16 2HG ARG 16 -10.279 5.313 -8.280 116 2HD ARG 16 2HD ARG 16 -7.594 4.107 -8.109 117 HE ARG 16 HE ARG 16 -8.519 4.716 -10.766 118 1HH1 ARG 16 2HH2 ARG 16 -5.743 5.256 -8.631 119 2HH1 ARG 16 1HH2 ARG 16 -4.615 5.421 -9.936 120 2HH2 ARG 16 1HH ARG 16 -5.394 5.229 -12.194 121 H MET 17 H MET 17 -10.704 3.816 -3.939 122 HA MET 17 HA MET 17 -9.338 6.322 -3.964 123 2HB MET 17 2HB MET 17 -11.065 7.283 -2.273 124 2HG MET 17 2HG MET 17 -12.631 8.040 -4.046 125 1HE MET 17 1HE MET 17 -10.784 8.051 -7.183 126 2HE MET 17 2HE MET 17 -12.093 9.032 -6.481 127 3HE MET 17 3HE MET 17 -10.524 9.782 -6.859 128 H GLU 18 H GLU 18 -9.046 7.028 -1.451 129 HA GLU 18 HA GLU 18 -7.820 4.766 -0.280 130 2HB GLU 18 2HB GLU 18 -8.028 7.070 1.502 131 2HG GLU 18 2HG GLU 18 -5.641 6.939 1.466 132 HE2 GLU 18 HE GLU 18 -6.343 3.075 0.836 133 H ALA 19 H ALA 19 -8.260 3.894 1.888 134 HA ALA 19 HA ALA 19 -11.022 3.476 2.299 135 1HB ALA 19 1HB ALA 19 -8.537 2.344 3.099 136 2HB ALA 19 2HB ALA 19 -9.413 2.769 4.590 137 3HB ALA 19 3HB ALA 19 -10.174 1.703 3.385 138 H ALA 20 H ALA 20 -8.514 5.556 3.822 139 HA ALA 20 HA ALA 20 -9.764 6.362 6.078 140 1HB ALA 20 1HB ALA 20 -8.608 8.615 4.600 141 2HB ALA 20 2HB ALA 20 -8.061 7.840 6.107 142 3HB ALA 20 3HB ALA 20 -7.584 7.161 4.531 143 H GLN 21 H GLN 21 -10.478 7.328 2.694 144 HA GLN 21 HA GLN 21 -12.263 9.358 3.420 145 2HB GLN 21 2HB GLN 21 -13.091 8.851 0.947 146 2HG GLN 21 2HG GLN 21 -10.195 9.682 1.447 147 1HE2 GLN 21 1HE2 GLN 21 -10.456 8.468 -0.783 148 2HE2 GLN 21 2HE2 GLN 21 -10.735 9.500 -2.147 149 H ILE 22 H ILE 22 -12.679 5.886 2.482 150 HA ILE 22 HA ILE 22 -15.455 5.869 2.522 151 HB ILE 22 HB ILE 22 -13.459 3.677 3.092 152 2HG1 ILE 22 2HG1 ILE 22 -13.528 5.027 0.829 153 1HG2 ILE 22 1HG2 ILE 22 -16.214 3.125 2.078 154 2HG2 ILE 22 2HG2 ILE 22 -15.115 2.103 3.034 155 3HG2 ILE 22 3HG2 ILE 22 -15.992 3.441 3.814 156 1HD1 ILE 22 1HD1 ILE 22 -12.695 2.465 1.601 157 2HD1 ILE 22 2HD1 ILE 22 -13.692 2.169 0.156 158 3HD1 ILE 22 3HD1 ILE 22 -12.300 3.275 0.066 159 H SER 23 H SER 23 -13.029 5.340 5.141 160 HA SER 23 HA SER 23 -14.806 4.576 7.081 161 2HB SER 23 2HB SER 23 -12.264 4.551 7.180 162 HG SER 23 HG SER 23 -12.133 6.942 6.657 163 H GLN 24 H GLN 24 -13.738 7.858 6.015 164 HA GLN 24 HA GLN 24 -14.999 9.263 8.032 165 2HB GLN 24 2HB GLN 24 -15.064 10.912 5.744 166 2HG GLN 24 2HG GLN 24 -12.623 10.475 7.512 167 1HE2 GLN 24 1HE2 GLN 24 -11.516 12.430 7.921 168 2HE2 GLN 24 2HE2 GLN 24 -11.591 13.770 6.826 169 H THR 25 H THR 25 -16.145 8.186 4.780 170 HA THR 25 HA THR 25 -18.522 9.493 4.601 171 HB THR 25 HB THR 25 -17.869 6.578 3.914 172 HG1 THR 25 1HG THR 25 -16.408 7.964 2.860 173 1HG2 THR 25 1HG2 THR 25 -20.353 7.450 3.703 174 2HG2 THR 25 2HG2 THR 25 -19.707 8.466 2.391 175 3HG2 THR 25 3HG2 THR 25 -19.600 6.693 2.279 176 H LEU 26 H LEU 26 -17.872 6.481 6.490 177 HA LEU 26 HA LEU 26 -20.521 6.848 7.689 178 2HB LEU 26 2HB LEU 26 -20.731 4.706 7.208 179 HG LEU 26 HG LEU 26 -17.742 4.589 6.774 180 1HD1 LEU 26 1HD1 LEU 26 -19.609 2.258 6.337 181 2HD1 LEU 26 2HD1 LEU 26 -17.830 2.286 6.305 182 3HD1 LEU 26 3HD1 LEU 26 -18.695 2.484 7.848 183 1HD2 LEU 26 1HD2 LEU 26 -19.635 5.531 5.113 184 2HD2 LEU 26 2HD2 LEU 26 -18.163 4.701 4.554 185 3HD2 LEU 26 3HD2 LEU 26 -19.696 3.805 4.682 186 H ASN 27 H ASN 27 -18.008 8.428 8.257 187 HA ASN 27 HA ASN 27 -16.695 8.988 9.926 188 2HB ASN 27 2HB ASN 27 -18.834 8.486 11.966 189 1HD2 ASN 27 1HD2 ASN 27 -16.674 9.141 12.912 190 2HD2 ASN 27 2HD2 ASN 27 -16.372 10.835 13.116 191 H THR 28 H THR 28 -16.672 6.068 9.354 192 HA THR 28 HA THR 28 -16.614 4.774 11.945 193 HB THR 28 HB THR 28 -17.159 4.007 9.293 194 HG1 THR 28 1HG THR 28 -17.401 1.979 10.458 195 1HG2 THR 28 1HG2 THR 28 -15.515 2.418 8.639 196 2HG2 THR 28 2HG2 THR 28 -14.523 3.802 9.157 197 3HG2 THR 28 3HG2 THR 28 -14.753 2.414 10.247 198 HA PRO 29 HA PRO 29 -12.394 5.085 12.641 199 2HB PRO 29 2HB PRO 29 -12.550 4.028 14.680 200 2HG PRO 29 2HG PRO 29 -14.357 2.610 14.895 201 2HD PRO 29 2HD PRO 29 -15.777 3.520 13.331 202 H GLN 30 H GLN 30 -10.448 5.025 11.634 203 HA GLN 30 HA GLN 30 -10.320 3.970 9.172 204 2HB GLN 30 2HB GLN 30 -7.719 3.839 10.574 205 2HG GLN 30 2HG GLN 30 -7.383 5.834 8.909 206 1HE2 GLN 30 1HE2 GLN 30 -9.085 3.943 6.761 207 2HE2 GLN 30 2HE2 GLN 30 -7.871 2.786 6.323 208 HA PRO 31 HA PRO 31 -8.482 -0.017 10.976 209 2HB PRO 31 2HB PRO 31 -7.154 0.193 12.845 210 2HG PRO 31 2HG PRO 31 -7.513 2.114 14.070 211 2HD PRO 31 2HD PRO 31 -8.396 3.476 12.442 212 H MET 32 H MET 32 -10.906 0.349 9.976 213 HA MET 32 HA MET 32 -12.295 -1.794 11.325 214 2HB MET 32 2HB MET 32 -13.968 0.540 10.387 215 2HG MET 32 2HG MET 32 -15.108 -0.096 12.656 216 1HE MET 32 1HE MET 32 -16.773 -3.604 11.441 217 2HE MET 32 2HE MET 32 -15.807 -2.965 12.792 218 3HE MET 32 3HE MET 32 -17.379 -2.228 12.395 219 H ILE 33 H ILE 33 -12.121 0.504 8.543 220 HA ILE 33 HA ILE 33 -13.688 -1.216 6.876 221 HB ILE 33 HB ILE 33 -12.042 1.244 6.274 222 2HG1 ILE 33 2HG1 ILE 33 -14.078 2.481 6.385 223 1HG2 ILE 33 1HG2 ILE 33 -12.254 0.005 4.247 224 2HG2 ILE 33 2HG2 ILE 33 -13.975 -0.328 4.556 225 3HG2 ILE 33 3HG2 ILE 33 -13.441 1.331 4.194 226 1HD1 ILE 33 1HD1 ILE 33 -16.043 0.820 7.427 227 2HD1 ILE 33 2HD1 ILE 33 -15.967 1.380 5.740 228 3HD1 ILE 33 3HD1 ILE 33 -15.295 -0.208 6.182 229 H ASN 34 H ASN 34 -10.227 -0.567 7.513 230 HA ASN 34 HA ASN 34 -9.151 -1.770 5.328 231 2HB ASN 34 2HB ASN 34 -7.240 -2.397 7.026 232 1HD2 ASN 34 1HD2 ASN 34 -7.642 0.349 8.651 233 2HD2 ASN 34 2HD2 ASN 34 -7.049 1.532 7.533 234 H ALA 35 H ALA 35 -10.348 -3.163 8.444 235 HA ALA 35 HA ALA 35 -9.449 -5.766 8.090 236 1HB ALA 35 1HB ALA 35 -11.400 -6.277 9.664 237 2HB ALA 35 2HB ALA 35 -10.239 -5.051 10.228 238 3HB ALA 35 3HB ALA 35 -11.811 -4.548 9.560 239 H MET 36 H MET 36 -12.527 -4.150 7.079 240 HA MET 36 HA MET 36 -13.639 -6.467 6.008 241 2HB MET 36 2HB MET 36 -15.299 -4.938 5.087 242 2HG MET 36 2HG MET 36 -14.703 -2.989 7.147 243 1HE MET 36 1HE MET 36 -17.156 -5.641 9.208 244 2HE MET 36 2HE MET 36 -15.625 -4.748 9.378 245 3HE MET 36 3HE MET 36 -17.177 -3.886 9.504 246 H LEU 37 H LEU 37 -11.752 -3.754 4.526 247 HA LEU 37 HA LEU 37 -11.964 -4.587 1.894 248 2HB LEU 37 2HB LEU 37 -9.753 -3.316 1.675 249 HG LEU 37 HG LEU 37 -12.242 -2.055 2.815 250 1HD1 LEU 37 1HD1 LEU 37 -10.308 -0.756 3.640 251 2HD1 LEU 37 2HD1 LEU 37 -9.759 -0.544 1.960 252 3HD1 LEU 37 3HD1 LEU 37 -11.311 0.152 2.483 253 1HD2 LEU 37 1HD2 LEU 37 -12.662 -2.608 0.619 254 2HD2 LEU 37 2HD2 LEU 37 -12.050 -0.945 0.453 255 3HD2 LEU 37 3HD2 LEU 37 -10.981 -2.325 0.107 256 H GLN 38 H GLN 38 -9.809 -5.644 4.552 257 HA GLN 38 HA GLN 38 -8.061 -7.082 2.945 258 2HB GLN 38 2HB GLN 38 -8.531 -8.210 5.639 259 2HG GLN 38 2HG GLN 38 -6.089 -6.624 4.997 260 1HE2 GLN 38 1HE2 GLN 38 -4.965 -7.054 6.728 261 2HE2 GLN 38 2HE2 GLN 38 -4.790 -8.586 7.516 262 H GLN 39 H GLN 39 -11.149 -7.957 4.589 263 HA GLN 39 HA GLN 39 -10.990 -10.672 4.018 264 2HB GLN 39 2HB GLN 39 -13.711 -9.482 4.120 265 2HG GLN 39 2HG GLN 39 -13.490 -11.030 6.317 266 1HE2 GLN 39 1HE2 GLN 39 -15.388 -11.882 5.951 267 2HE2 GLN 39 2HE2 GLN 39 -15.883 -12.782 4.557 268 H LEU 40 H LEU 40 -12.674 -7.939 2.324 269 HA LEU 40 HA LEU 40 -13.790 -9.460 0.294 270 2HB LEU 40 2HB LEU 40 -13.993 -7.356 -0.903 271 HG LEU 40 HG LEU 40 -14.425 -7.024 2.077 272 1HD1 LEU 40 1HD1 LEU 40 -16.159 -5.274 1.036 273 2HD1 LEU 40 2HD1 LEU 40 -14.505 -4.827 1.518 274 3HD1 LEU 40 3HD1 LEU 40 -14.875 -5.153 -0.191 275 1HD2 LEU 40 1HD2 LEU 40 -15.684 -8.744 0.391 276 2HD2 LEU 40 2HD2 LEU 40 -16.421 -8.028 1.844 277 3HD2 LEU 40 3HD2 LEU 40 -16.721 -7.305 0.246 278 H GLU 41 H GLU 41 -10.553 -7.881 0.563 279 HA GLU 41 HA GLU 41 -9.724 -8.386 -1.997 280 2HB GLU 41 2HB GLU 41 -8.101 -8.312 0.585 281 2HG GLU 41 2HG GLU 41 -6.797 -7.346 -1.855 282 HE2 GLU 41 HE GLU 41 -4.420 -7.858 0.513 283 H SER 42 H SER 42 -9.353 -10.425 0.983 284 HA SER 42 HA SER 42 -7.911 -12.440 -0.145 285 2HB SER 42 2HB SER 42 -10.110 -12.827 1.930 286 HG SER 42 HG SER 42 -8.756 -14.472 2.701 287 H MET 43 H MET 43 -11.510 -12.026 0.052 288 HA MET 43 HA MET 43 -12.135 -14.436 -1.149 289 2HB MET 43 2HB MET 43 -14.314 -13.060 -1.750 290 2HG MET 43 2HG MET 43 -13.830 -12.679 1.164 291 1HE MET 43 1HE MET 43 -16.684 -14.543 2.370 292 2HE MET 43 2HE MET 43 -16.168 -15.878 1.312 293 3HE MET 43 3HE MET 43 -14.955 -14.931 2.206 294 H GLY 44 H GLY 44 -11.931 -11.100 -2.587 295 1HA GLY 44 1HA GLY 44 -10.680 -11.000 -4.708 296 2HA GLY 44 2HA GLY 44 -11.606 -12.393 -5.230 297 H LYS 45 H LYS 45 -12.834 -9.602 -3.304 298 HA LYS 45 HA LYS 45 -14.668 -9.059 -5.528 299 2HB LYS 45 2HB LYS 45 -16.295 -8.463 -3.993 300 2HG LYS 45 2HG LYS 45 -16.179 -10.164 -2.098 301 2HD LYS 45 2HD LYS 45 -15.334 -11.888 -4.285 302 2HE LYS 45 2HE LYS 45 -18.042 -11.124 -3.098 303 1HZ LYS 45 1HZ LYS 45 -17.562 -13.565 -4.665 304 2HZ LYS 45 2HZ LYS 45 -18.969 -12.789 -4.396 305 H ALA 46 H ALA 46 -12.288 -7.681 -3.239 306 HA ALA 46 HA ALA 46 -12.603 -5.087 -4.555 307 1HB ALA 46 1HB ALA 46 -11.405 -4.200 -2.640 308 2HB ALA 46 2HB ALA 46 -12.704 -5.264 -2.049 309 3HB ALA 46 3HB ALA 46 -11.020 -5.841 -2.066 310 H VAL 47 H VAL 47 -10.201 -3.936 -4.508 311 HA VAL 47 HA VAL 47 -8.148 -5.766 -5.342 312 HB VAL 47 HB VAL 47 -7.903 -4.858 -7.571 313 1HG1 VAL 47 1HG1 VAL 47 -9.797 -5.930 -8.642 314 2HG1 VAL 47 2HG1 VAL 47 -9.318 -6.869 -7.207 315 3HG1 VAL 47 3HG1 VAL 47 -10.752 -5.816 -7.143 316 1HG2 VAL 47 1HG2 VAL 47 -10.076 -3.553 -8.396 317 2HG2 VAL 47 2HG2 VAL 47 -10.114 -3.048 -6.691 318 3HG2 VAL 47 3HG2 VAL 47 -8.680 -2.707 -7.689 319 H ARG 48 H ARG 48 -6.069 -4.784 -5.294 320 HA ARG 48 HA ARG 48 -6.106 -2.334 -3.803 321 2HB ARG 48 2HB ARG 48 -3.435 -2.977 -4.099 322 2HG ARG 48 2HG ARG 48 -5.033 -4.608 -2.131 323 2HD ARG 48 2HD ARG 48 -2.981 -2.641 -1.254 324 HE ARG 48 HE ARG 48 -3.901 -5.295 -0.500 325 1HH1 ARG 48 2HH2 ARG 48 -1.124 -3.103 -0.295 326 2HH1 ARG 48 1HH2 ARG 48 -0.490 -3.842 1.137 327 2HH2 ARG 48 1HH ARG 48 -1.646 -5.702 2.110 328 H ILE 49 H ILE 49 -5.203 -0.346 -4.525 329 HA ILE 49 HA ILE 49 -4.318 -0.348 -7.327 330 HB ILE 49 HB ILE 49 -6.124 1.558 -5.856 331 2HG1 ILE 49 2HG1 ILE 49 -6.404 -0.320 -8.181 332 1HG2 ILE 49 1HG2 ILE 49 -6.035 2.874 -8.055 333 2HG2 ILE 49 2HG2 ILE 49 -4.671 3.051 -6.923 334 3HG2 ILE 49 3HG2 ILE 49 -4.508 2.013 -8.360 335 1HD1 ILE 49 1HD1 ILE 49 -8.088 0.468 -5.762 336 2HD1 ILE 49 2HD1 ILE 49 -8.645 -0.636 -7.041 337 3HD1 ILE 49 3HD1 ILE 49 -7.251 -1.081 -6.028 338 H GLN 50 H GLN 50 -2.678 1.240 -7.881 339 HA GLN 50 HA GLN 50 -1.146 1.973 -5.510 340 2HB GLN 50 2HB GLN 50 -0.267 1.255 -8.334 341 2HG GLN 50 2HG GLN 50 1.189 2.695 -6.110 342 1HE2 GLN 50 1HE2 GLN 50 2.452 1.169 -5.158 343 2HE2 GLN 50 2HE2 GLN 50 3.726 0.313 -5.961 344 H GLU 51 H GLU 51 -0.046 4.071 -5.506 345 HA GLU 51 HA GLU 51 -1.385 5.934 -7.306 346 2HB GLU 51 2HB GLU 51 -0.278 7.368 -5.116 347 2HG GLU 51 2HG GLU 51 -2.942 7.121 -4.496 348 HE2 GLU 51 HE GLU 51 -2.831 10.260 -5.015 349 H GLU 52 H GLU 52 0.007 8.081 -7.558 350 HA GLU 52 HA GLU 52 2.157 7.534 -9.045 351 2HB GLU 52 2HB GLU 52 2.888 9.985 -8.113 352 2HG GLU 52 2HG GLU 52 0.385 10.263 -9.596 353 HE2 GLU 52 HE GLU 52 3.475 9.587 -11.078 354 HA PRO 53 HA PRO 53 5.116 6.221 -6.095 355 2HB PRO 53 2HB PRO 53 5.778 4.452 -7.414 356 2HG PRO 53 2HG PRO 53 5.124 4.600 -9.621 357 2HD PRO 53 2HD PRO 53 3.302 5.987 -9.415 358 H ASP 54 H ASP 54 7.879 6.463 -6.344 359 HA ASP 54 HA ASP 54 8.160 9.025 -5.382 360 2HB ASP 54 2HB ASP 54 10.698 8.412 -6.250 361 HD2 ASP 54 HD ASP 54 10.731 6.191 -3.305 362 H GLY 55 H GLY 55 9.682 10.753 -6.416 363 1HA GLY 55 1HA GLY 55 8.699 11.499 -8.958 364 2HA GLY 55 2HA GLY 55 10.001 12.255 -8.061 365 H CYS 56 H CYS 56 11.076 12.526 -10.190 366 HA CYS 56 HA CYS 56 12.069 10.034 -11.317 367 2HB CYS 56 2HB CYS 56 13.047 11.889 -12.997 368 HG CYS 56 HG CYS 56 9.816 11.227 -12.919 369 H LEU 57 H LEU 57 14.076 9.324 -10.682 370 HA LEU 57 HA LEU 57 15.859 11.324 -9.484 371 2HB LEU 57 2HB LEU 57 16.866 8.940 -8.694 372 HG LEU 57 HG LEU 57 15.729 9.176 -6.552 373 1HD1 LEU 57 1HD1 LEU 57 17.521 10.904 -7.599 374 2HD1 LEU 57 2HD1 LEU 57 16.206 12.029 -7.183 375 3HD1 LEU 57 3HD1 LEU 57 16.916 10.987 -5.926 376 1HD2 LEU 57 1HD2 LEU 57 13.502 9.646 -6.970 377 2HD2 LEU 57 2HD2 LEU 57 14.114 11.204 -6.366 378 3HD2 LEU 57 3HD2 LEU 57 13.880 10.957 -8.113 379 H SER 58 H SER 58 18.295 10.539 -9.718 380 HA SER 58 HA SER 58 18.771 10.598 -12.484 381 2HB SER 58 2HB SER 58 21.217 9.990 -11.333 382 HG SER 58 HG SER 58 20.275 12.019 -12.523 383 H GLY 59 H GLY 59 20.363 8.986 -13.566 384 1HA GLY 59 1HA GLY 59 19.357 6.294 -13.076 385 2HA GLY 59 2HA GLY 59 20.270 6.862 -14.460 386 H SER 60 H SER 60 21.705 5.005 -14.263 387 HA SER 60 HA SER 60 23.611 4.108 -13.728 388 2HB SER 60 2HB SER 60 24.668 5.827 -11.648 389 HG SER 60 HG SER 60 25.253 5.178 -14.370 390 H CYS 61 H CYS 61 24.793 2.971 -11.843 391 HA CYS 61 HA CYS 61 24.780 1.784 -9.996 392 2HB CYS 61 2HB CYS 61 23.523 2.543 -7.986 393 HG CYS 61 HG CYS 61 25.531 4.193 -9.887 394 H LYS 62 H LYS 62 21.302 2.824 -9.953 395 HA LYS 62 HA LYS 62 19.442 1.727 -10.505 396 2HB LYS 62 2HB LYS 62 20.694 -0.845 -11.276 397 2HG LYS 62 2HG LYS 62 18.781 1.112 -12.635 398 2HD LYS 62 2HD LYS 62 20.176 -0.629 -14.046 399 2HE LYS 62 2HE LYS 62 18.216 -2.367 -12.500 400 1HZ LYS 62 1HZ LYS 62 18.733 -4.049 -14.244 401 2HZ LYS 62 2HZ LYS 62 17.816 -2.833 -14.819 402 H SER 63 H SER 63 18.165 -0.319 -9.720 403 HA SER 63 HA SER 63 17.517 -1.594 -8.086 404 2HB SER 63 2HB SER 63 20.447 -1.726 -7.242 405 HG SER 63 HG SER 63 19.594 -3.917 -6.488 406 H CYS 64 H CYS 64 16.351 -0.859 -6.341 407 HA CYS 64 HA CYS 64 17.519 1.359 -4.850 408 2HB CYS 64 2HB CYS 64 14.889 1.197 -4.046 409 HG CYS 64 HG CYS 64 15.802 2.649 -6.856 410 HA PRO 65 HA PRO 65 17.761 -1.166 -1.311 411 2HB PRO 65 2HB PRO 65 18.926 0.430 -0.130 412 2HG PRO 65 2HG PRO 65 18.600 2.594 -0.857 413 2HD PRO 65 2HD PRO 65 17.969 2.204 -3.033 414 H GLU 66 H GLU 66 16.564 -1.068 1.201 415 HA GLU 66 HA GLU 66 13.749 -1.164 0.574 416 2HB GLU 66 2HB GLU 66 13.880 -3.479 1.987 417 2HG GLU 66 2HG GLU 66 14.448 -4.277 -0.687 418 HE2 GLU 66 HE GLU 66 12.125 -6.081 0.486 419 H GLY 67 H GLY 67 12.738 -0.011 2.156 420 1HA GLY 67 1HA GLY 67 13.337 -0.488 4.930 421 2HA GLY 67 2HA GLY 67 13.895 1.075 4.366 422 H LYS 68 H LYS 68 12.167 2.322 2.937 423 HA LYS 68 HA LYS 68 9.984 2.827 4.585 424 2HB LYS 68 2HB LYS 68 9.185 4.000 2.349 425 2HG LYS 68 2HG LYS 68 11.266 5.657 2.836 426 2HD LYS 68 2HD LYS 68 8.661 5.153 4.117 427 2HE LYS 68 2HE LYS 68 10.817 6.653 5.682 428 1HZ LYS 68 1HZ LYS 68 7.885 6.408 6.020 429 2HZ LYS 68 2HZ LYS 68 8.851 6.785 7.276 430 H ALA 69 H ALA 69 7.613 2.809 3.603 431 HA ALA 69 HA ALA 69 7.138 0.014 2.892 432 1HB ALA 69 1HB ALA 69 4.967 0.327 3.838 433 2HB ALA 69 2HB ALA 69 6.101 1.140 4.944 434 3HB ALA 69 3HB ALA 69 5.127 2.100 3.804 435 H CYS 70 H CYS 70 5.147 -0.311 1.395 436 HA CYS 70 HA CYS 70 5.762 0.898 -1.049 437 2HB CYS 70 2HB CYS 70 3.611 -0.236 -1.807 438 HG CYS 70 HG CYS 70 6.410 -1.207 -0.803 439 H LEU 71 H LEU 71 4.396 2.374 -2.334 440 HA LEU 71 HA LEU 71 3.586 4.616 -0.990 441 2HB LEU 71 2HB LEU 71 2.128 4.773 -3.260 442 HG LEU 71 HG LEU 71 4.104 5.633 -4.450 443 1HD1 LEU 71 1HD1 LEU 71 4.800 7.101 -2.194 444 2HD1 LEU 71 2HD1 LEU 71 3.496 7.468 -3.349 445 3HD1 LEU 71 3HD1 LEU 71 3.139 6.553 -1.865 446 1HD2 LEU 71 1HD2 LEU 71 6.119 4.805 -4.045 447 2HD2 LEU 71 2HD2 LEU 71 6.099 5.601 -2.454 448 3HD2 LEU 71 3HD2 LEU 71 5.516 3.927 -2.619 449 H ARG 72 H ARG 72 1.329 5.582 -0.890 450 HA ARG 72 HA ARG 72 -0.238 3.887 0.650 451 2HB ARG 72 2HB ARG 72 -1.928 5.987 -0.135 452 2HG ARG 72 2HG ARG 72 -0.174 6.962 1.919 453 2HD ARG 72 2HD ARG 72 -2.859 5.505 1.966 454 HE ARG 72 HE ARG 72 -2.418 5.445 4.263 455 1HH1 ARG 72 2HH2 ARG 72 -1.185 8.497 2.953 456 2HH1 ARG 72 1HH2 ARG 72 -0.794 9.149 4.508 457 2HH2 ARG 72 1HH ARG 72 -1.224 7.844 6.471 458 H GLU 73 H GLU 73 -0.819 2.010 -0.594 459 HA GLU 73 HA GLU 73 -1.865 2.171 -3.156 460 2HB GLU 73 2HB GLU 73 -2.699 -0.191 -2.634 461 2HG GLU 73 2HG GLU 73 0.022 0.847 -2.716 462 HE2 GLU 73 HE GLU 73 1.114 -2.463 -1.659 463 H TRP 74 H TRP 74 -3.990 2.265 -3.968 464 HA TRP 74 HA TRP 74 -5.950 3.222 -2.037 465 2HB TRP 74 2HB TRP 74 -7.220 3.663 -4.253 466 HD1 TRP 74 HD TRP 74 -5.196 5.100 -1.725 467 HE1 TRP 74 1HE TRP 74 -4.669 7.672 -1.983 468 HE3 TRP 74 3HE TRP 74 -6.420 5.392 -6.651 469 HZ2 TRP 74 2HZ TRP 74 -4.818 9.500 -4.170 470 HZ3 TRP 74 3HZ TRP 74 -6.200 7.607 -7.774 471 HH2 TRP 74 HH TRP 74 -5.430 9.616 -6.614 472 H TRP 75 H TRP 75 -8.305 2.414 -2.533 473 HA TRP 75 HA TRP 75 -8.179 -0.466 -3.119 474 2HB TRP 75 2HB TRP 75 -9.998 -0.729 -1.440 475 HD1 TRP 75 HD TRP 75 -7.555 1.521 0.487 476 HE1 TRP 75 1HE TRP 75 -5.830 0.097 1.886 477 HE3 TRP 75 3HE TRP 75 -8.855 -2.976 -1.498 478 HZ2 TRP 75 2HZ TRP 75 -5.216 -2.687 2.004 479 HZ3 TRP 75 3HZ TRP 75 -7.644 -4.998 -0.685 480 HH2 TRP 75 HH TRP 75 -5.880 -4.905 1.005 481 H ALA 76 H ALA 76 -9.962 -1.291 -4.337 482 HA ALA 76 HA ALA 76 -12.117 0.478 -5.028 483 1HB ALA 76 1HB ALA 76 -10.629 -0.527 -7.412 484 2HB ALA 76 2HB ALA 76 -11.552 0.979 -7.190 485 3HB ALA 76 3HB ALA 76 -9.903 0.841 -6.536 486 H LEU 77 H LEU 77 -13.412 -0.794 -6.951 487 HA LEU 77 HA LEU 77 -13.778 -3.443 -5.823 488 2HB LEU 77 2HB LEU 77 -15.891 -3.430 -6.859 489 HG LEU 77 HG LEU 77 -15.139 -0.897 -5.530 490 1HD1 LEU 77 1HD1 LEU 77 -17.426 0.079 -5.997 491 2HD1 LEU 77 2HD1 LEU 77 -16.253 0.155 -7.334 492 3HD1 LEU 77 3HD1 LEU 77 -17.544 -1.069 -7.352 493 1HD2 LEU 77 1HD2 LEU 77 -15.947 -2.511 -4.078 494 2HD2 LEU 77 2HD2 LEU 77 -17.381 -1.496 -4.365 495 3HD2 LEU 77 3HD2 LEU 77 -17.208 -3.054 -5.210 496 H ARG 78 H ARG 78 -13.876 -5.370 -7.162 497 HA ARG 78 HA ARG 78 -11.730 -5.541 -8.865 498 2HB ARG 78 2HB ARG 78 -13.913 -7.518 -9.334 499 2HG ARG 78 2HG ARG 78 -12.151 -9.112 -8.859 500 2HD ARG 78 2HD ARG 78 -10.265 -7.216 -10.055 501 HE ARG 78 HE ARG 78 -11.016 -9.848 -10.493 502 1HH1 ARG 78 2HH2 ARG 78 -10.775 -6.997 -12.581 503 2HH1 ARG 78 1HH2 ARG 78 -10.425 -7.916 -14.006 504 2HH2 ARG 78 1HH ARG 78 -10.299 -10.305 -13.860 Start of MODEL 18 1 1H MET 1 H MET 1 -25.878 2.882 9.237 2 HA MET 1 HA MET 1 -24.018 3.180 11.008 3 2HB MET 1 2HB MET 1 -23.651 0.463 11.508 4 2HG MET 1 2HG MET 1 -25.404 1.961 13.440 5 1HE MET 1 1HE MET 1 -22.910 1.100 16.398 6 2HE MET 1 2HE MET 1 -23.262 2.573 15.462 7 3HE MET 1 3HE MET 1 -24.596 1.577 16.089 8 H ALA 2 H ALA 2 -21.869 1.893 10.528 9 HA ALA 2 HA ALA 2 -21.366 2.018 7.835 10 1HB ALA 2 1HB ALA 2 -19.687 2.051 9.677 11 2HB ALA 2 2HB ALA 2 -19.958 0.309 9.926 12 3HB ALA 2 3HB ALA 2 -19.265 0.892 8.393 13 H SER 3 H SER 3 -20.516 0.067 6.471 14 HA SER 3 HA SER 3 -21.499 -2.463 6.945 15 2HB SER 3 2HB SER 3 -23.747 -1.736 6.657 16 HG SER 3 HG SER 3 -24.326 -0.503 4.661 17 H LEU 4 H LEU 4 -21.270 -3.875 4.905 18 HA LEU 4 HA LEU 4 -18.908 -3.120 3.561 19 2HB LEU 4 2HB LEU 4 -20.153 -5.262 2.209 20 HG LEU 4 HG LEU 4 -18.539 -6.697 3.283 21 1HD1 LEU 4 1HD1 LEU 4 -17.371 -3.982 2.618 22 2HD1 LEU 4 2HD1 LEU 4 -16.444 -5.496 2.743 23 3HD1 LEU 4 3HD1 LEU 4 -17.693 -5.319 1.488 24 1HD2 LEU 4 1HD2 LEU 4 -18.184 -4.417 5.235 25 2HD2 LEU 4 2HD2 LEU 4 -18.666 -6.098 5.567 26 3HD2 LEU 4 3HD2 LEU 4 -17.002 -5.735 5.051 27 H ILE 5 H ILE 5 -22.400 -3.063 2.751 28 HA ILE 5 HA ILE 5 -22.056 -2.504 0.024 29 HB ILE 5 HB ILE 5 -24.368 -1.686 1.779 30 2HG1 ILE 5 2HG1 ILE 5 -25.307 -3.954 1.129 31 1HG2 ILE 5 1HG2 ILE 5 -24.121 -2.328 -1.170 32 2HG2 ILE 5 2HG2 ILE 5 -25.665 -2.113 -0.308 33 3HG2 ILE 5 3HG2 ILE 5 -24.516 -0.758 -0.427 34 1HD1 ILE 5 1HD1 ILE 5 -23.723 -5.723 0.603 35 2HD1 ILE 5 2HD1 ILE 5 -23.518 -4.434 -0.608 36 3HD1 ILE 5 3HD1 ILE 5 -22.352 -4.595 0.726 37 H GLN 6 H GLN 6 -21.990 -0.506 2.976 38 HA GLN 6 HA GLN 6 -22.297 1.942 1.715 39 2HB GLN 6 2HB GLN 6 -20.721 2.526 3.897 40 2HG GLN 6 2HG GLN 6 -23.528 1.697 4.521 41 1HE2 GLN 6 1HE2 GLN 6 -21.999 4.756 3.602 42 2HE2 GLN 6 2HE2 GLN 6 -22.027 5.505 5.164 43 H VAL 7 H VAL 7 -19.300 0.144 2.714 44 HA VAL 7 HA VAL 7 -17.559 2.050 1.573 45 HB VAL 7 HB VAL 7 -16.857 0.627 3.366 46 1HG1 VAL 7 1HG1 VAL 7 -16.469 -1.869 2.842 47 2HG1 VAL 7 2HG1 VAL 7 -18.131 -1.336 3.185 48 3HG1 VAL 7 3HG1 VAL 7 -17.619 -1.628 1.506 49 1HG2 VAL 7 1HG2 VAL 7 -15.034 -0.711 1.659 50 2HG2 VAL 7 2HG2 VAL 7 -15.448 0.825 0.861 51 3HG2 VAL 7 3HG2 VAL 7 -14.803 0.829 2.520 52 H ARG 8 H ARG 8 -19.197 -0.906 0.394 53 HA ARG 8 HA ARG 8 -17.673 -1.134 -1.921 54 2HB ARG 8 2HB ARG 8 -19.923 -2.364 -2.693 55 2HG ARG 8 2HG ARG 8 -18.745 -3.601 -0.221 56 2HD ARG 8 2HD ARG 8 -20.163 -4.565 -2.386 57 HE ARG 8 HE ARG 8 -17.315 -4.586 -3.157 58 1HH1 ARG 8 2HH2 ARG 8 -20.508 -6.042 -3.646 59 2HH1 ARG 8 1HH2 ARG 8 -20.110 -6.698 -5.198 60 2HH2 ARG 8 1HH ARG 8 -17.916 -6.338 -6.095 61 H ASP 9 H ASP 9 -20.916 0.356 -1.235 62 HA ASP 9 HA ASP 9 -21.517 1.119 -3.778 63 2HB ASP 9 2HB ASP 9 -22.068 2.766 -1.267 64 HD2 ASP 9 HD ASP 9 -23.871 1.377 -3.866 65 H LEU 10 H LEU 10 -19.733 2.900 -1.154 66 HA LEU 10 HA LEU 10 -19.274 5.226 -2.637 67 2HB LEU 10 2HB LEU 10 -17.236 5.197 -0.870 68 HG LEU 10 HG LEU 10 -18.729 6.147 0.849 69 1HD1 LEU 10 1HD1 LEU 10 -17.869 7.586 -0.914 70 2HD1 LEU 10 2HD1 LEU 10 -19.248 7.165 -1.959 71 3HD1 LEU 10 3HD1 LEU 10 -19.518 8.077 -0.454 72 1HD2 LEU 10 1HD2 LEU 10 -20.648 4.494 -0.023 73 2HD2 LEU 10 2HD2 LEU 10 -20.989 5.998 0.867 74 3HD2 LEU 10 3HD2 LEU 10 -21.119 5.965 -0.908 75 H LEU 11 H LEU 11 -17.301 2.236 -2.132 76 HA LEU 11 HA LEU 11 -15.095 3.091 -3.591 77 2HB LEU 11 2HB LEU 11 -15.001 0.439 -3.936 78 HG LEU 11 HG LEU 11 -14.665 1.673 -1.190 79 1HD1 LEU 11 1HD1 LEU 11 -12.717 -0.260 -1.556 80 2HD1 LEU 11 2HD1 LEU 11 -14.208 -0.426 -0.597 81 3HD1 LEU 11 3HD1 LEU 11 -14.170 -0.986 -2.286 82 1HD2 LEU 11 1HD2 LEU 11 -12.893 1.725 -3.622 83 2HD2 LEU 11 2HD2 LEU 11 -13.354 3.052 -2.529 84 3HD2 LEU 11 3HD2 LEU 11 -12.209 1.805 -1.981 85 H ALA 12 H ALA 12 -18.307 2.056 -4.581 86 HA ALA 12 HA ALA 12 -17.447 1.547 -7.297 87 1HB ALA 12 1HB ALA 12 -19.625 0.798 -5.612 88 2HB ALA 12 2HB ALA 12 -20.304 1.719 -6.977 89 3HB ALA 12 3HB ALA 12 -19.301 0.281 -7.285 90 H LEU 13 H LEU 13 -19.760 3.807 -5.624 91 HA LEU 13 HA LEU 13 -20.170 5.435 -7.826 92 2HB LEU 13 2HB LEU 13 -20.638 7.151 -5.882 93 HG LEU 13 HG LEU 13 -22.495 6.191 -7.068 94 1HD1 LEU 13 1HD1 LEU 13 -21.781 3.898 -7.263 95 2HD1 LEU 13 2HD1 LEU 13 -21.943 3.654 -5.507 96 3HD1 LEU 13 3HD1 LEU 13 -23.390 3.947 -6.502 97 1HD2 LEU 13 1HD2 LEU 13 -22.766 5.797 -4.077 98 2HD2 LEU 13 2HD2 LEU 13 -23.056 7.294 -4.995 99 3HD2 LEU 13 3HD2 LEU 13 -24.122 5.886 -5.226 100 H ARG 14 H ARG 14 -17.939 5.985 -5.005 101 HA ARG 14 HA ARG 14 -16.695 8.102 -6.415 102 2HB ARG 14 2HB ARG 14 -15.447 8.457 -4.415 103 2HG ARG 14 2HG ARG 14 -17.028 8.263 -2.597 104 2HD ARG 14 2HD ARG 14 -19.302 8.637 -3.904 105 HE ARG 14 HE ARG 14 -17.293 10.632 -4.720 106 1HH1 ARG 14 2HH2 ARG 14 -19.333 9.432 -2.083 107 2HH1 ARG 14 1HH2 ARG 14 -19.276 10.919 -1.196 108 2HH2 ARG 14 1HH ARG 14 -18.026 12.764 -2.078 109 H GLY 15 H GLY 15 -16.596 4.842 -6.901 110 1HA GLY 15 1HA GLY 15 -15.167 3.430 -7.906 111 2HA GLY 15 2HA GLY 15 -14.301 4.840 -8.483 112 H ARG 16 H ARG 16 -12.176 4.125 -8.173 113 HA ARG 16 HA ARG 16 -11.391 2.766 -5.880 114 2HB ARG 16 2HB ARG 16 -10.030 2.541 -7.852 115 2HG ARG 16 2HG ARG 16 -10.339 5.503 -7.947 116 2HD ARG 16 2HD ARG 16 -7.696 4.111 -8.465 117 HE ARG 16 HE ARG 16 -8.950 5.962 -10.302 118 1HH1 ARG 16 2HH2 ARG 16 -5.833 5.201 -8.800 119 2HH1 ARG 16 1HH2 ARG 16 -4.903 5.897 -10.084 120 2HH2 ARG 16 1HH ARG 16 -6.035 6.880 -11.954 121 H MET 17 H MET 17 -10.657 3.502 -3.874 122 HA MET 17 HA MET 17 -9.580 6.069 -3.550 123 2HB MET 17 2HB MET 17 -12.313 5.634 -2.239 124 2HG MET 17 2HG MET 17 -10.217 7.613 -1.969 125 1HE MET 17 1HE MET 17 -9.566 9.114 -3.458 126 2HE MET 17 2HE MET 17 -10.476 10.485 -4.138 127 3HE MET 17 3HE MET 17 -10.148 10.414 -2.389 128 H GLU 18 H GLU 18 -8.813 6.426 -1.326 129 HA GLU 18 HA GLU 18 -8.107 4.006 -0.114 130 2HB GLU 18 2HB GLU 18 -7.904 6.775 1.136 131 2HG GLU 18 2HG GLU 18 -7.205 4.939 2.609 132 HE2 GLU 18 HE GLU 18 -4.365 3.055 0.767 133 H ALA 19 H ALA 19 -8.507 3.468 2.251 134 HA ALA 19 HA ALA 19 -11.293 3.411 2.720 135 1HB ALA 19 1HB ALA 19 -10.448 1.588 3.751 136 2HB ALA 19 2HB ALA 19 -8.818 2.296 3.845 137 3HB ALA 19 3HB ALA 19 -10.029 2.683 5.091 138 H ALA 20 H ALA 20 -8.542 5.365 3.958 139 HA ALA 20 HA ALA 20 -9.616 6.547 6.132 140 1HB ALA 20 1HB ALA 20 -7.715 7.346 3.979 141 2HB ALA 20 2HB ALA 20 -8.346 8.659 5.001 142 3HB ALA 20 3HB ALA 20 -7.488 7.289 5.744 143 H GLN 21 H GLN 21 -10.394 7.175 2.683 144 HA GLN 21 HA GLN 21 -12.038 9.391 3.335 145 2HB GLN 21 2HB GLN 21 -12.798 8.662 0.793 146 2HG GLN 21 2HG GLN 21 -10.444 9.987 0.279 147 1HE2 GLN 21 1HE2 GLN 21 -13.284 10.583 2.349 148 2HE2 GLN 21 2HE2 GLN 21 -13.986 11.848 1.398 149 H ILE 22 H ILE 22 -12.560 5.933 2.401 150 HA ILE 22 HA ILE 22 -15.335 6.026 2.335 151 HB ILE 22 HB ILE 22 -13.507 3.731 3.055 152 2HG1 ILE 22 2HG1 ILE 22 -13.319 5.137 0.781 153 1HG2 ILE 22 1HG2 ILE 22 -16.418 3.951 2.738 154 2HG2 ILE 22 2HG2 ILE 22 -15.673 2.677 1.743 155 3HG2 ILE 22 3HG2 ILE 22 -15.432 2.684 3.507 156 1HD1 ILE 22 1HD1 ILE 22 -13.004 2.604 -0.229 157 2HD1 ILE 22 2HD1 ILE 22 -11.795 3.425 0.787 158 3HD1 ILE 22 3HD1 ILE 22 -12.942 2.277 1.520 159 H SER 23 H SER 23 -13.032 5.413 5.048 160 HA SER 23 HA SER 23 -14.903 4.735 6.925 161 2HB SER 23 2HB SER 23 -12.445 4.540 7.228 162 HG SER 23 HG SER 23 -11.178 6.346 7.667 163 H GLN 24 H GLN 24 -13.633 7.984 5.956 164 HA GLN 24 HA GLN 24 -14.946 9.436 7.885 165 2HB GLN 24 2HB GLN 24 -14.867 11.077 5.593 166 2HG GLN 24 2HG GLN 24 -12.606 10.511 7.566 167 1HE2 GLN 24 1HE2 GLN 24 -11.391 12.447 8.037 168 2HE2 GLN 24 2HE2 GLN 24 -11.118 13.633 6.805 169 H THR 25 H THR 25 -16.002 8.405 4.585 170 HA THR 25 HA THR 25 -18.337 9.789 4.348 171 HB THR 25 HB THR 25 -17.790 6.864 3.614 172 HG1 THR 25 1HG THR 25 -16.397 7.850 2.202 173 1HG2 THR 25 1HG2 THR 25 -19.860 8.896 2.831 174 2HG2 THR 25 2HG2 THR 25 -19.101 7.993 1.498 175 3HG2 THR 25 3HG2 THR 25 -19.953 7.118 2.794 176 H LEU 26 H LEU 26 -17.823 6.718 6.180 177 HA LEU 26 HA LEU 26 -20.516 7.092 7.270 178 2HB LEU 26 2HB LEU 26 -20.626 4.969 6.593 179 HG LEU 26 HG LEU 26 -17.624 4.891 6.716 180 1HD1 LEU 26 1HD1 LEU 26 -19.081 2.785 7.716 181 2HD1 LEU 26 2HD1 LEU 26 -18.864 2.331 6.009 182 3HD1 LEU 26 3HD1 LEU 26 -17.445 2.685 7.023 183 1HD2 LEU 26 1HD2 LEU 26 -19.479 3.945 4.530 184 2HD2 LEU 26 2HD2 LEU 26 -18.946 5.636 4.678 185 3HD2 LEU 26 3HD2 LEU 26 -17.748 4.344 4.427 186 H ASN 27 H ASN 27 -18.016 8.651 7.969 187 HA ASN 27 HA ASN 27 -16.783 9.188 9.706 188 2HB ASN 27 2HB ASN 27 -19.370 8.663 11.259 189 1HD2 ASN 27 1HD2 ASN 27 -19.705 10.891 12.500 190 2HD2 ASN 27 2HD2 ASN 27 -18.368 11.367 13.492 191 H THR 28 H THR 28 -16.690 6.300 9.122 192 HA THR 28 HA THR 28 -16.790 4.989 11.713 193 HB THR 28 HB THR 28 -17.261 4.225 9.052 194 HG1 THR 28 1HG THR 28 -18.084 3.189 10.967 195 1HG2 THR 28 1HG2 THR 28 -15.576 2.772 8.339 196 2HG2 THR 28 2HG2 THR 28 -14.559 3.994 9.140 197 3HG2 THR 28 3HG2 THR 28 -14.983 2.491 9.994 198 HA PRO 29 HA PRO 29 -12.593 5.240 12.562 199 2HB PRO 29 2HB PRO 29 -12.837 4.178 14.591 200 2HG PRO 29 2HG PRO 29 -14.669 2.785 14.735 201 2HD PRO 29 2HD PRO 29 -16.019 3.718 13.125 202 H GLN 30 H GLN 30 -10.639 5.188 11.586 203 HA GLN 30 HA GLN 30 -10.445 4.097 9.143 204 2HB GLN 30 2HB GLN 30 -7.877 4.017 10.607 205 2HG GLN 30 2HG GLN 30 -7.516 5.984 8.917 206 1HE2 GLN 30 1HE2 GLN 30 -9.177 4.027 6.781 207 2HE2 GLN 30 2HE2 GLN 30 -7.943 2.878 6.382 208 HA PRO 31 HA PRO 31 -8.618 0.158 11.065 209 2HB PRO 31 2HB PRO 31 -7.364 0.410 12.980 210 2HG PRO 31 2HG PRO 31 -7.791 2.344 14.162 211 2HD PRO 31 2HD PRO 31 -8.628 3.673 12.484 212 H MET 32 H MET 32 -11.002 0.474 9.964 213 HA MET 32 HA MET 32 -12.409 -1.677 11.273 214 2HB MET 32 2HB MET 32 -14.104 0.622 10.303 215 2HG MET 32 2HG MET 32 -14.464 -0.643 12.991 216 1HE MET 32 1HE MET 32 -16.762 -1.766 10.065 217 2HE MET 32 2HE MET 32 -17.508 -0.230 9.567 218 3HE MET 32 3HE MET 32 -15.761 -0.485 9.343 219 H ILE 33 H ILE 33 -12.207 0.648 8.514 220 HA ILE 33 HA ILE 33 -13.694 -1.091 6.794 221 HB ILE 33 HB ILE 33 -12.097 1.417 6.270 222 2HG1 ILE 33 2HG1 ILE 33 -14.177 2.587 6.305 223 1HG2 ILE 33 1HG2 ILE 33 -13.550 1.441 4.154 224 2HG2 ILE 33 2HG2 ILE 33 -12.152 0.340 4.196 225 3HG2 ILE 33 3HG2 ILE 33 -13.794 -0.295 4.461 226 1HD1 ILE 33 1HD1 ILE 33 -15.987 0.572 7.289 227 2HD1 ILE 33 2HD1 ILE 33 -16.136 1.569 5.821 228 3HD1 ILE 33 3HD1 ILE 33 -15.295 0.001 5.751 229 H ASN 34 H ASN 34 -10.270 -0.399 7.548 230 HA ASN 34 HA ASN 34 -9.109 -1.547 5.374 231 2HB ASN 34 2HB ASN 34 -7.243 -2.170 7.134 232 1HD2 ASN 34 1HD2 ASN 34 -7.571 0.528 8.763 233 2HD2 ASN 34 2HD2 ASN 34 -7.004 1.730 7.652 234 H ALA 35 H ALA 35 -10.406 -2.998 8.417 235 HA ALA 35 HA ALA 35 -9.446 -5.596 7.994 236 1HB ALA 35 1HB ALA 35 -11.767 -5.864 9.475 237 2HB ALA 35 2HB ALA 35 -10.161 -5.479 10.139 238 3HB ALA 35 3HB ALA 35 -11.313 -4.170 9.776 239 H MET 36 H MET 36 -12.546 -3.946 7.127 240 HA MET 36 HA MET 36 -13.745 -6.212 6.073 241 2HB MET 36 2HB MET 36 -15.348 -4.616 5.129 242 2HG MET 36 2HG MET 36 -14.758 -2.724 7.219 243 1HE MET 36 1HE MET 36 -17.020 -2.436 5.732 244 2HE MET 36 2HE MET 36 -18.476 -2.767 6.699 245 3HE MET 36 3HE MET 36 -17.131 -1.839 7.405 246 H LEU 37 H LEU 37 -11.920 -3.517 4.459 247 HA LEU 37 HA LEU 37 -12.176 -4.418 1.868 248 2HB LEU 37 2HB LEU 37 -9.939 -3.185 1.584 249 HG LEU 37 HG LEU 37 -12.413 -1.868 2.691 250 1HD1 LEU 37 1HD1 LEU 37 -11.460 0.321 2.260 251 2HD1 LEU 37 2HD1 LEU 37 -10.483 -0.548 3.467 252 3HD1 LEU 37 3HD1 LEU 37 -9.911 -0.416 1.787 253 1HD2 LEU 37 1HD2 LEU 37 -12.015 -0.833 0.226 254 2HD2 LEU 37 2HD2 LEU 37 -11.268 -2.436 0.022 255 3HD2 LEU 37 3HD2 LEU 37 -12.963 -2.304 0.549 256 H GLN 38 H GLN 38 -9.909 -5.408 4.470 257 HA GLN 38 HA GLN 38 -8.227 -6.898 2.866 258 2HB GLN 38 2HB GLN 38 -8.673 -8.006 5.570 259 2HG GLN 38 2HG GLN 38 -6.234 -6.435 4.854 260 1HE2 GLN 38 1HE2 GLN 38 -5.860 -9.709 4.429 261 2HE2 GLN 38 2HE2 GLN 38 -5.403 -10.192 6.029 262 H GLN 39 H GLN 39 -11.452 -7.561 4.190 263 HA GLN 39 HA GLN 39 -11.318 -10.344 3.851 264 2HB GLN 39 2HB GLN 39 -13.993 -9.063 3.670 265 2HG GLN 39 2HG GLN 39 -13.407 -10.586 6.082 266 1HE2 GLN 39 1HE2 GLN 39 -14.380 -13.045 5.018 267 2HE2 GLN 39 2HE2 GLN 39 -16.032 -12.831 4.546 268 H LEU 40 H LEU 40 -12.829 -7.673 1.906 269 HA LEU 40 HA LEU 40 -13.811 -9.253 -0.131 270 2HB LEU 40 2HB LEU 40 -13.814 -7.204 -1.457 271 HG LEU 40 HG LEU 40 -14.608 -6.885 1.437 272 1HD1 LEU 40 1HD1 LEU 40 -15.326 -4.877 -0.696 273 2HD1 LEU 40 2HD1 LEU 40 -15.526 -4.761 1.069 274 3HD1 LEU 40 3HD1 LEU 40 -13.900 -4.679 0.350 275 1HD2 LEU 40 1HD2 LEU 40 -15.933 -7.697 -1.093 276 2HD2 LEU 40 2HD2 LEU 40 -16.208 -8.236 0.581 277 3HD2 LEU 40 3HD2 LEU 40 -16.884 -6.688 0.023 278 H GLU 41 H GLU 41 -10.533 -7.851 0.370 279 HA GLU 41 HA GLU 41 -9.527 -8.492 -2.106 280 2HB GLU 41 2HB GLU 41 -8.115 -8.362 0.594 281 2HG GLU 41 2HG GLU 41 -6.579 -7.562 -1.768 282 HE2 GLU 41 HE GLU 41 -5.368 -10.566 -0.828 283 H SER 42 H SER 42 -9.478 -10.390 0.988 284 HA SER 42 HA SER 42 -8.052 -12.520 0.073 285 2HB SER 42 2HB SER 42 -10.415 -12.868 1.941 286 HG SER 42 HG SER 42 -7.892 -13.745 2.721 287 H MET 43 H MET 43 -11.623 -11.916 -0.060 288 HA MET 43 HA MET 43 -12.208 -14.378 -1.246 289 2HB MET 43 2HB MET 43 -14.379 -13.042 -1.890 290 2HG MET 43 2HG MET 43 -13.948 -12.590 1.026 291 1HE MET 43 1HE MET 43 -15.854 -13.218 2.503 292 2HE MET 43 2HE MET 43 -17.278 -14.177 2.036 293 3HE MET 43 3HE MET 43 -15.682 -14.956 2.158 294 H GLY 44 H GLY 44 -11.563 -11.079 -2.560 295 1HA GLY 44 1HA GLY 44 -10.410 -10.851 -4.623 296 2HA GLY 44 2HA GLY 44 -11.171 -12.318 -5.208 297 H LYS 45 H LYS 45 -12.607 -9.459 -3.493 298 HA LYS 45 HA LYS 45 -14.503 -9.258 -5.711 299 2HB LYS 45 2HB LYS 45 -16.040 -8.356 -4.206 300 2HG LYS 45 2HG LYS 45 -15.636 -9.764 -1.999 301 2HD LYS 45 2HD LYS 45 -15.660 -11.518 -4.443 302 2HE LYS 45 2HE LYS 45 -16.258 -12.282 -2.075 303 1HZ LYS 45 1HZ LYS 45 -18.181 -11.459 -1.091 304 2HZ LYS 45 2HZ LYS 45 -17.595 -10.088 -1.745 305 H ALA 46 H ALA 46 -12.516 -7.170 -3.497 306 HA ALA 46 HA ALA 46 -12.675 -5.055 -5.494 307 1HB ALA 46 1HB ALA 46 -12.420 -5.246 -2.602 308 2HB ALA 46 2HB ALA 46 -11.131 -4.228 -3.286 309 3HB ALA 46 3HB ALA 46 -12.837 -3.840 -3.609 310 H VAL 47 H VAL 47 -10.421 -3.747 -5.580 311 HA VAL 47 HA VAL 47 -8.269 -5.716 -5.871 312 HB VAL 47 HB VAL 47 -7.643 -4.454 -7.972 313 1HG1 VAL 47 1HG1 VAL 47 -8.442 -6.283 -8.964 314 2HG1 VAL 47 2HG1 VAL 47 -9.459 -6.599 -7.538 315 3HG1 VAL 47 3HG1 VAL 47 -10.095 -5.630 -8.889 316 1HG2 VAL 47 1HG2 VAL 47 -10.527 -3.649 -8.199 317 2HG2 VAL 47 2HG2 VAL 47 -9.392 -2.591 -7.328 318 3HG2 VAL 47 3HG2 VAL 47 -9.093 -3.003 -9.034 319 H ARG 48 H ARG 48 -6.088 -4.696 -5.872 320 HA ARG 48 HA ARG 48 -6.150 -2.488 -4.032 321 2HB ARG 48 2HB ARG 48 -3.691 -3.988 -5.046 322 2HG ARG 48 2HG ARG 48 -4.194 -1.910 -3.060 323 2HD ARG 48 2HD ARG 48 -3.400 -4.645 -2.076 324 HE ARG 48 HE ARG 48 -1.768 -2.288 -1.584 325 1HH1 ARG 48 2HH2 ARG 48 -3.051 -5.213 -0.049 326 2HH1 ARG 48 1HH2 ARG 48 -1.790 -5.294 1.136 327 2HH2 ARG 48 1HH ARG 48 -0.069 -3.626 1.133 328 H ILE 49 H ILE 49 -5.331 -0.409 -4.497 329 HA ILE 49 HA ILE 49 -4.338 -0.049 -7.239 330 HB ILE 49 HB ILE 49 -6.246 1.611 -5.609 331 2HG1 ILE 49 2HG1 ILE 49 -6.368 0.075 -8.186 332 1HG2 ILE 49 1HG2 ILE 49 -4.610 3.170 -6.446 333 2HG2 ILE 49 2HG2 ILE 49 -4.696 2.452 -8.073 334 3HG2 ILE 49 3HG2 ILE 49 -6.102 3.315 -7.406 335 1HD1 ILE 49 1HD1 ILE 49 -8.580 -0.552 -7.235 336 2HD1 ILE 49 2HD1 ILE 49 -7.259 -0.937 -6.108 337 3HD1 ILE 49 3HD1 ILE 49 -8.271 0.502 -5.835 338 H GLN 50 H GLN 50 -2.709 1.614 -7.534 339 HA GLN 50 HA GLN 50 -1.273 2.075 -5.039 340 2HB GLN 50 2HB GLN 50 -0.300 1.698 -7.895 341 2HG GLN 50 2HG GLN 50 1.107 2.883 -5.480 342 1HE2 GLN 50 1HE2 GLN 50 2.823 1.849 -4.821 343 2HE2 GLN 50 2HE2 GLN 50 3.984 1.010 -5.794 344 H GLU 51 H GLU 51 -0.168 4.171 -4.777 345 HA GLU 51 HA GLU 51 -1.486 6.223 -6.381 346 2HB GLU 51 2HB GLU 51 -0.561 7.434 -4.004 347 2HG GLU 51 2HG GLU 51 -3.327 6.590 -3.760 348 HE2 GLU 51 HE GLU 51 -2.612 10.382 -4.756 349 H GLU 52 H GLU 52 -0.119 8.419 -6.232 350 HA GLU 52 HA GLU 52 2.045 8.202 -7.718 351 2HB GLU 52 2HB GLU 52 2.845 10.359 -6.344 352 2HG GLU 52 2HG GLU 52 0.272 11.105 -7.418 353 HE2 GLU 52 HE GLU 52 1.622 13.437 -8.233 354 HA PRO 53 HA PRO 53 4.724 6.045 -4.904 355 2HB PRO 53 2HB PRO 53 4.791 4.116 -6.160 356 2HG PRO 53 2HG PRO 53 3.929 4.322 -8.289 357 2HD PRO 53 2HD PRO 53 2.519 6.113 -7.987 358 H ASP 54 H ASP 54 7.416 5.609 -5.460 359 HA ASP 54 HA ASP 54 9.338 6.615 -5.448 360 2HB ASP 54 2HB ASP 54 7.991 9.008 -6.784 361 HD2 ASP 54 HD ASP 54 11.462 7.680 -6.298 362 H GLY 55 H GLY 55 10.529 8.598 -4.420 363 1HA GLY 55 1HA GLY 55 8.901 10.376 -2.817 364 2HA GLY 55 2HA GLY 55 9.752 9.147 -1.902 365 H CYS 56 H CYS 56 12.207 8.841 -2.812 366 HA CYS 56 HA CYS 56 13.420 11.352 -2.278 367 2HB CYS 56 2HB CYS 56 14.326 9.174 -1.469 368 HG CYS 56 HG CYS 56 13.821 7.501 -3.279 369 H LEU 57 H LEU 57 15.181 12.246 -3.792 370 HA LEU 57 HA LEU 57 14.043 12.545 -6.393 371 2HB LEU 57 2HB LEU 57 16.678 13.650 -6.161 372 HG LEU 57 HG LEU 57 15.570 15.812 -6.255 373 1HD1 LEU 57 1HD1 LEU 57 15.335 15.546 -8.444 374 2HD1 LEU 57 2HD1 LEU 57 15.396 13.783 -8.200 375 3HD1 LEU 57 3HD1 LEU 57 13.829 14.625 -8.220 376 1HD2 LEU 57 1HD2 LEU 57 13.633 16.086 -5.199 377 2HD2 LEU 57 2HD2 LEU 57 12.852 15.270 -6.574 378 3HD2 LEU 57 3HD2 LEU 57 13.337 14.332 -5.140 379 H SER 58 H SER 58 17.327 11.464 -5.253 380 HA SER 58 HA SER 58 17.242 9.187 -6.870 381 2HB SER 58 2HB SER 58 17.551 10.644 -8.766 382 HG SER 58 HG SER 58 18.322 12.581 -8.034 383 H GLY 59 H GLY 59 19.621 8.192 -6.976 384 1HA GLY 59 1HA GLY 59 21.187 9.106 -4.651 385 2HA GLY 59 2HA GLY 59 20.665 7.438 -4.770 386 H SER 60 H SER 60 22.993 9.818 -5.797 387 HA SER 60 HA SER 60 24.159 7.807 -7.561 388 2HB SER 60 2HB SER 60 25.154 9.639 -8.868 389 HG SER 60 HG SER 60 22.324 9.770 -8.369 390 H CYS 61 H CYS 61 26.691 8.248 -7.773 391 HA CYS 61 HA CYS 61 28.671 8.368 -6.830 392 2HB CYS 61 2HB CYS 61 28.520 9.806 -4.453 393 HG CYS 61 HG CYS 61 28.688 10.845 -7.596 394 H LYS 62 H LYS 62 29.897 7.571 -4.787 395 HA LYS 62 HA LYS 62 29.046 5.135 -4.013 396 2HB LYS 62 2HB LYS 62 30.478 6.021 -1.807 397 2HG LYS 62 2HG LYS 62 31.983 5.351 -4.313 398 2HD LYS 62 2HD LYS 62 32.165 4.921 -1.423 399 2HE LYS 62 2HE LYS 62 33.091 2.592 -1.587 400 1HZ LYS 62 1HZ LYS 62 30.447 2.098 -2.556 401 2HZ LYS 62 2HZ LYS 62 31.047 1.842 -1.064 402 H SER 63 H SER 63 28.202 4.274 -1.939 403 HA SER 63 HA SER 63 26.707 4.153 -0.370 404 2HB SER 63 2HB SER 63 26.463 7.131 0.000 405 HG SER 63 HG SER 63 27.010 6.224 2.271 406 H CYS 64 H CYS 64 24.587 3.626 -0.765 407 HA CYS 64 HA CYS 64 23.092 5.471 -2.479 408 2HB CYS 64 2HB CYS 64 21.747 3.059 -2.620 409 HG CYS 64 HG CYS 64 22.041 3.093 -5.023 410 HA PRO 65 HA PRO 65 20.247 5.768 0.804 411 2HB PRO 65 2HB PRO 65 19.105 7.491 -0.212 412 2HG PRO 65 2HG PRO 65 19.319 7.567 -2.507 413 2HD PRO 65 2HD PRO 65 21.315 6.455 -2.767 414 H GLU 66 H GLU 66 17.547 5.134 1.061 415 HA GLU 66 HA GLU 66 17.614 2.270 0.583 416 2HB GLU 66 2HB GLU 66 16.312 2.536 3.057 417 2HG GLU 66 2HG GLU 66 18.853 1.759 3.762 418 HE2 GLU 66 HE GLU 66 17.092 0.162 4.919 419 H GLY 67 H GLY 67 15.136 1.668 1.883 420 1HA GLY 67 1HA GLY 67 13.070 3.477 1.232 421 2HA GLY 67 2HA GLY 67 13.289 2.352 -0.093 422 H LYS 68 H LYS 68 11.078 2.701 2.002 423 HA LYS 68 HA LYS 68 10.610 -0.064 2.386 424 2HB LYS 68 2HB LYS 68 12.218 0.223 4.207 425 2HG LYS 68 2HG LYS 68 10.538 2.629 4.730 426 2HD LYS 68 2HD LYS 68 11.417 2.328 7.247 427 2HE LYS 68 2HE LYS 68 8.874 0.958 6.248 428 1HZ LYS 68 1HZ LYS 68 9.194 0.568 8.567 429 2HZ LYS 68 2HZ LYS 68 9.676 2.096 8.867 430 H ALA 69 H ALA 69 8.448 -0.396 3.510 431 HA ALA 69 HA ALA 69 6.293 0.072 3.681 432 1HB ALA 69 1HB ALA 69 7.357 1.872 5.240 433 2HB ALA 69 2HB ALA 69 6.933 3.017 3.946 434 3HB ALA 69 3HB ALA 69 5.657 2.069 4.748 435 H CYS 70 H CYS 70 4.871 -0.029 2.016 436 HA CYS 70 HA CYS 70 5.596 1.315 -0.428 437 2HB CYS 70 2HB CYS 70 3.616 0.029 -1.345 438 HG CYS 70 HG CYS 70 5.127 -1.615 -2.117 439 H LEU 71 H LEU 71 4.114 2.794 -1.541 440 HA LEU 71 HA LEU 71 3.021 4.737 0.053 441 2HB LEU 71 2HB LEU 71 1.662 5.165 -2.179 442 HG LEU 71 HG LEU 71 3.576 6.213 -3.246 443 1HD1 LEU 71 1HD1 LEU 71 3.777 6.602 -0.250 444 2HD1 LEU 71 2HD1 LEU 71 4.172 7.774 -1.530 445 3HD1 LEU 71 3HD1 LEU 71 2.484 7.278 -1.270 446 1HD2 LEU 71 1HD2 LEU 71 5.121 4.228 -2.668 447 2HD2 LEU 71 2HD2 LEU 71 5.812 5.869 -2.695 448 3HD2 LEU 71 3HD2 LEU 71 5.416 5.095 -1.141 449 H ARG 72 H ARG 72 0.688 5.422 0.233 450 HA ARG 72 HA ARG 72 -0.730 3.340 1.407 451 2HB ARG 72 2HB ARG 72 -2.611 5.363 0.958 452 2HG ARG 72 2HG ARG 72 -0.847 6.086 3.162 453 2HD ARG 72 2HD ARG 72 -3.551 4.664 3.023 454 HE ARG 72 HE ARG 72 -1.967 4.898 5.282 455 1HH1 ARG 72 2HH2 ARG 72 -5.041 6.358 4.298 456 2HH1 ARG 72 1HH2 ARG 72 -5.623 6.525 5.921 457 2HH2 ARG 72 1HH ARG 72 -4.250 5.791 7.743 458 H GLU 73 H GLU 73 -1.140 1.659 -0.130 459 HA GLU 73 HA GLU 73 -2.075 2.119 -2.684 460 2HB GLU 73 2HB GLU 73 -2.790 -0.317 -2.568 461 2HG GLU 73 2HG GLU 73 -0.196 0.814 -2.462 462 HE2 GLU 73 HE GLU 73 1.307 -1.525 -2.141 463 H TRP 74 H TRP 74 -4.144 2.272 -3.607 464 HA TRP 74 HA TRP 74 -6.255 2.883 -1.703 465 2HB TRP 74 2HB TRP 74 -7.426 3.548 -3.908 466 HD1 TRP 74 HD TRP 74 -5.605 4.751 -1.137 467 HE1 TRP 74 1HE TRP 74 -5.122 7.344 -1.089 468 HE3 TRP 74 3HE TRP 74 -6.504 5.541 -6.079 469 HZ2 TRP 74 2HZ TRP 74 -5.168 9.390 -3.079 470 HZ3 TRP 74 3HZ TRP 74 -6.263 7.866 -6.945 471 HH2 TRP 74 HH TRP 74 -5.620 9.754 -5.533 472 H TRP 75 H TRP 75 -8.543 2.053 -2.455 473 HA TRP 75 HA TRP 75 -8.257 -0.721 -3.387 474 2HB TRP 75 2HB TRP 75 -10.139 -1.265 -1.825 475 HD1 TRP 75 HD TRP 75 -7.874 0.633 0.584 476 HE1 TRP 75 1HE TRP 75 -6.117 -0.960 1.742 477 HE3 TRP 75 3HE TRP 75 -8.807 -3.406 -2.361 478 HZ2 TRP 75 2HZ TRP 75 -5.332 -3.669 1.306 479 HZ3 TRP 75 3HZ TRP 75 -7.502 -5.485 -1.929 480 HH2 TRP 75 HH TRP 75 -5.815 -5.657 -0.169 481 H ALA 76 H ALA 76 -10.053 -1.482 -4.679 482 HA ALA 76 HA ALA 76 -12.196 0.353 -5.249 483 1HB ALA 76 1HB ALA 76 -11.643 0.904 -7.437 484 2HB ALA 76 2HB ALA 76 -10.035 0.921 -6.673 485 3HB ALA 76 3HB ALA 76 -10.552 -0.490 -7.626 486 H LEU 77 H LEU 77 -13.825 -0.694 -6.719 487 HA LEU 77 HA LEU 77 -14.037 -3.455 -6.017 488 2HB LEU 77 2HB LEU 77 -16.214 -3.330 -6.986 489 HG LEU 77 HG LEU 77 -15.666 -0.640 -5.702 490 1HD1 LEU 77 1HD1 LEU 77 -17.870 -1.138 -7.049 491 2HD1 LEU 77 2HD1 LEU 77 -18.309 -2.039 -5.579 492 3HD1 LEU 77 3HD1 LEU 77 -17.923 -0.305 -5.478 493 1HD2 LEU 77 1HD2 LEU 77 -16.137 -1.600 -3.597 494 2HD2 LEU 77 2HD2 LEU 77 -16.700 -3.122 -4.327 495 3HD2 LEU 77 3HD2 LEU 77 -14.974 -2.695 -4.381 496 H ARG 78 H ARG 78 -14.454 -5.194 -7.635 497 HA ARG 78 HA ARG 78 -12.540 -4.876 -9.760 498 2HB ARG 78 2HB ARG 78 -14.009 -7.302 -8.624 499 2HG ARG 78 2HG ARG 78 -13.482 -7.430 -11.150 500 2HD ARG 78 2HD ARG 78 -10.631 -7.957 -10.347 501 HE ARG 78 HE ARG 78 -11.977 -7.944 -12.765 502 1HH1 ARG 78 2HH2 ARG 78 -9.283 -6.041 -11.469 503 2HH1 ARG 78 1HH2 ARG 78 -8.563 -5.773 -13.022 504 2HH2 ARG 78 1HH ARG 78 -9.604 -6.694 -14.974 Start of MODEL 19 1 1H MET 1 H MET 1 -25.728 0.594 12.759 2 HA MET 1 HA MET 1 -23.455 2.137 12.189 3 2HB MET 1 2HB MET 1 -23.045 -0.644 11.511 4 2HG MET 1 2HG MET 1 -21.693 1.146 12.974 5 1HE MET 1 1HE MET 1 -21.940 -1.420 16.111 6 2HE MET 1 2HE MET 1 -20.676 -0.506 15.252 7 3HE MET 1 3HE MET 1 -21.339 0.114 16.782 8 H ALA 2 H ALA 2 -21.917 1.168 10.273 9 HA ALA 2 HA ALA 2 -23.428 1.727 7.862 10 1HB ALA 2 1HB ALA 2 -21.513 2.923 7.628 11 2HB ALA 2 2HB ALA 2 -20.630 1.919 8.803 12 3HB ALA 2 3HB ALA 2 -20.803 1.372 7.118 13 H SER 3 H SER 3 -21.956 0.315 5.946 14 HA SER 3 HA SER 3 -21.838 -2.417 6.718 15 2HB SER 3 2HB SER 3 -24.211 -2.411 6.432 16 HG SER 3 HG SER 3 -23.983 -1.248 3.811 17 H LEU 4 H LEU 4 -21.250 -3.813 4.707 18 HA LEU 4 HA LEU 4 -19.110 -2.649 3.398 19 2HB LEU 4 2HB LEU 4 -19.822 -4.756 1.796 20 HG LEU 4 HG LEU 4 -18.257 -4.654 4.362 21 1HD1 LEU 4 1HD1 LEU 4 -18.081 -7.188 2.866 22 2HD1 LEU 4 2HD1 LEU 4 -18.066 -6.875 4.619 23 3HD1 LEU 4 3HD1 LEU 4 -19.612 -6.934 3.739 24 1HD2 LEU 4 1HD2 LEU 4 -16.634 -5.650 2.397 25 2HD2 LEU 4 2HD2 LEU 4 -17.708 -4.571 1.474 26 3HD2 LEU 4 3HD2 LEU 4 -16.772 -3.934 2.848 27 H ILE 5 H ILE 5 -22.569 -2.874 2.524 28 HA ILE 5 HA ILE 5 -22.354 -2.200 -0.150 29 HB ILE 5 HB ILE 5 -24.572 -1.363 1.712 30 2HG1 ILE 5 2HG1 ILE 5 -25.538 -3.654 1.025 31 1HG2 ILE 5 1HG2 ILE 5 -25.839 -2.092 -0.487 32 2HG2 ILE 5 2HG2 ILE 5 -25.142 -0.464 -0.312 33 3HG2 ILE 5 3HG2 ILE 5 -24.273 -1.709 -1.242 34 1HD1 ILE 5 1HD1 ILE 5 -22.634 -4.484 0.969 35 2HD1 ILE 5 2HD1 ILE 5 -24.067 -5.361 0.383 36 3HD1 ILE 5 3HD1 ILE 5 -23.426 -3.984 -0.544 37 H GLN 6 H GLN 6 -22.405 -0.149 2.808 38 HA GLN 6 HA GLN 6 -22.626 2.269 1.521 39 2HB GLN 6 2HB GLN 6 -21.018 2.790 3.747 40 2HG GLN 6 2HG GLN 6 -23.898 2.262 4.305 41 1HE2 GLN 6 1HE2 GLN 6 -21.402 4.694 3.566 42 2HE2 GLN 6 2HE2 GLN 6 -21.629 5.677 4.974 43 H VAL 7 H VAL 7 -19.714 0.297 2.352 44 HA VAL 7 HA VAL 7 -17.910 2.247 1.316 45 HB VAL 7 HB VAL 7 -17.642 -0.646 2.140 46 1HG1 VAL 7 1HG1 VAL 7 -15.688 -0.722 1.063 47 2HG1 VAL 7 2HG1 VAL 7 -15.819 0.988 0.589 48 3HG1 VAL 7 3HG1 VAL 7 -15.099 0.553 2.157 49 1HG2 VAL 7 1HG2 VAL 7 -17.418 1.975 3.502 50 2HG2 VAL 7 2HG2 VAL 7 -17.828 0.371 4.153 51 3HG2 VAL 7 3HG2 VAL 7 -16.125 0.806 3.867 52 H ARG 8 H ARG 8 -19.346 -0.860 0.152 53 HA ARG 8 HA ARG 8 -17.912 -0.983 -2.183 54 2HB ARG 8 2HB ARG 8 -20.017 -2.318 -2.992 55 2HG ARG 8 2HG ARG 8 -19.129 -3.342 -0.304 56 2HD ARG 8 2HD ARG 8 -18.504 -4.967 -2.641 57 HE ARG 8 HE ARG 8 -20.070 -5.249 -0.151 58 1HH1 ARG 8 2HH2 ARG 8 -18.911 -6.821 -3.108 59 2HH1 ARG 8 1HH2 ARG 8 -19.135 -8.425 -2.491 60 2HH2 ARG 8 1HH ARG 8 -19.991 -8.720 -0.272 61 H ASP 9 H ASP 9 -20.969 0.720 -1.340 62 HA ASP 9 HA ASP 9 -21.643 1.417 -3.943 63 2HB ASP 9 2HB ASP 9 -22.234 2.997 -1.399 64 HD2 ASP 9 HD ASP 9 -24.882 4.557 -2.991 65 H LEU 10 H LEU 10 -19.829 3.085 -1.276 66 HA LEU 10 HA LEU 10 -19.385 5.467 -2.709 67 2HB LEU 10 2HB LEU 10 -17.364 5.323 -0.866 68 HG LEU 10 HG LEU 10 -18.698 6.583 0.653 69 1HD1 LEU 10 1HD1 LEU 10 -18.262 7.354 -1.911 70 2HD1 LEU 10 2HD1 LEU 10 -20.027 7.560 -1.799 71 3HD1 LEU 10 3HD1 LEU 10 -18.958 8.399 -0.650 72 1HD2 LEU 10 1HD2 LEU 10 -21.303 6.646 -0.397 73 2HD2 LEU 10 2HD2 LEU 10 -20.849 4.926 -0.329 74 3HD2 LEU 10 3HD2 LEU 10 -20.762 5.927 1.139 75 H LEU 11 H LEU 11 -17.334 2.536 -2.109 76 HA LEU 11 HA LEU 11 -15.121 3.390 -3.510 77 2HB LEU 11 2HB LEU 11 -15.050 0.732 -3.923 78 HG LEU 11 HG LEU 11 -14.745 1.815 -1.116 79 1HD1 LEU 11 1HD1 LEU 11 -13.705 -0.095 -0.618 80 2HD1 LEU 11 2HD1 LEU 11 -14.428 -0.737 -2.114 81 3HD1 LEU 11 3HD1 LEU 11 -12.771 -0.088 -2.133 82 1HD2 LEU 11 1HD2 LEU 11 -13.502 3.398 -2.235 83 2HD2 LEU 11 2HD2 LEU 11 -12.284 2.133 -1.944 84 3HD2 LEU 11 3HD2 LEU 11 -13.049 2.282 -3.545 85 H ALA 12 H ALA 12 -18.283 2.291 -4.641 86 HA ALA 12 HA ALA 12 -17.312 1.923 -7.342 87 1HB ALA 12 1HB ALA 12 -19.992 1.654 -5.946 88 2HB ALA 12 2HB ALA 12 -19.829 1.530 -7.714 89 3HB ALA 12 3HB ALA 12 -18.981 0.375 -6.659 90 H LEU 13 H LEU 13 -19.770 4.020 -5.664 91 HA LEU 13 HA LEU 13 -20.210 5.706 -7.805 92 2HB LEU 13 2HB LEU 13 -20.898 7.336 -5.973 93 HG LEU 13 HG LEU 13 -22.096 4.570 -5.676 94 1HD1 LEU 13 1HD1 LEU 13 -22.616 6.909 -4.280 95 2HD1 LEU 13 2HD1 LEU 13 -23.886 6.866 -5.527 96 3HD1 LEU 13 3HD1 LEU 13 -23.684 5.491 -4.415 97 1HD2 LEU 13 1HD2 LEU 13 -22.322 6.577 -7.878 98 2HD2 LEU 13 2HD2 LEU 13 -22.332 4.798 -7.937 99 3HD2 LEU 13 3HD2 LEU 13 -23.780 5.678 -7.392 100 H ARG 14 H ARG 14 -18.042 6.297 -4.941 101 HA ARG 14 HA ARG 14 -16.865 8.489 -6.275 102 2HB ARG 14 2HB ARG 14 -15.190 8.240 -4.254 103 2HG ARG 14 2HG ARG 14 -16.800 9.955 -4.008 104 2HD ARG 14 2HD ARG 14 -18.933 7.765 -3.906 105 HE ARG 14 HE ARG 14 -19.996 9.527 -2.760 106 1HH1 ARG 14 2HH2 ARG 14 -18.305 10.809 -5.597 107 2HH1 ARG 14 1HH2 ARG 14 -19.027 12.379 -5.472 108 2HH2 ARG 14 1HH ARG 14 -20.579 12.820 -3.700 109 H GLY 15 H GLY 15 -16.558 5.141 -6.631 110 1HA GLY 15 1HA GLY 15 -15.115 3.885 -7.825 111 2HA GLY 15 2HA GLY 15 -14.261 5.343 -8.288 112 H ARG 16 H ARG 16 -12.206 4.234 -8.020 113 HA ARG 16 HA ARG 16 -11.493 2.941 -5.705 114 2HB ARG 16 2HB ARG 16 -10.279 2.973 -7.974 115 2HG ARG 16 2HG ARG 16 -8.431 4.690 -8.126 116 2HD ARG 16 2HD ARG 16 -11.083 6.158 -7.980 117 HE ARG 16 HE ARG 16 -9.745 7.563 -9.266 118 1HH1 ARG 16 2HH2 ARG 16 -8.854 4.216 -10.012 119 2HH1 ARG 16 1HH2 ARG 16 -7.707 4.662 -11.231 120 2HH2 ARG 16 1HH ARG 16 -7.358 6.983 -11.722 121 H MET 17 H MET 17 -10.442 3.620 -3.769 122 HA MET 17 HA MET 17 -9.350 6.134 -3.420 123 2HB MET 17 2HB MET 17 -12.058 5.881 -2.026 124 2HG MET 17 2HG MET 17 -9.950 7.664 -1.686 125 1HE MET 17 1HE MET 17 -9.344 10.648 -3.704 126 2HE MET 17 2HE MET 17 -9.631 10.423 -1.963 127 3HE MET 17 3HE MET 17 -8.716 9.202 -2.879 128 H GLU 18 H GLU 18 -8.517 6.432 -1.223 129 HA GLU 18 HA GLU 18 -7.868 4.026 -0.024 130 2HB GLU 18 2HB GLU 18 -6.339 5.789 0.311 131 2HG GLU 18 2HG GLU 18 -8.750 7.411 0.427 132 HE2 GLU 18 HE GLU 18 -8.782 9.447 1.765 133 H ALA 19 H ALA 19 -8.329 3.373 2.291 134 HA ALA 19 HA ALA 19 -11.120 3.259 2.691 135 1HB ALA 19 1HB ALA 19 -8.893 2.580 4.648 136 2HB ALA 19 2HB ALA 19 -10.543 1.915 4.609 137 3HB ALA 19 3HB ALA 19 -9.392 1.516 3.310 138 H ALA 20 H ALA 20 -8.429 5.178 4.117 139 HA ALA 20 HA ALA 20 -9.608 6.264 6.287 140 1HB ALA 20 1HB ALA 20 -8.209 8.228 4.568 141 2HB ALA 20 2HB ALA 20 -7.831 7.676 6.218 142 3HB ALA 20 3HB ALA 20 -7.329 6.700 4.816 143 H GLN 21 H GLN 21 -10.230 7.031 2.836 144 HA GLN 21 HA GLN 21 -11.858 9.248 3.451 145 2HB GLN 21 2HB GLN 21 -12.610 8.438 0.904 146 2HG GLN 21 2HG GLN 21 -10.261 9.835 0.446 147 1HE2 GLN 21 1HE2 GLN 21 -12.666 9.530 -0.707 148 2HE2 GLN 21 2HE2 GLN 21 -13.569 11.008 -0.725 149 H ILE 22 H ILE 22 -12.517 5.835 2.398 150 HA ILE 22 HA ILE 22 -15.262 5.988 2.357 151 HB ILE 22 HB ILE 22 -13.463 3.676 3.090 152 2HG1 ILE 22 2HG1 ILE 22 -13.512 5.066 0.738 153 1HG2 ILE 22 1HG2 ILE 22 -15.718 2.626 1.905 154 2HG2 ILE 22 2HG2 ILE 22 -15.352 2.627 3.647 155 3HG2 ILE 22 3HG2 ILE 22 -16.378 3.904 2.954 156 1HD1 ILE 22 1HD1 ILE 22 -12.702 2.371 1.662 157 2HD1 ILE 22 2HD1 ILE 22 -12.972 2.477 -0.094 158 3HD1 ILE 22 3HD1 ILE 22 -11.798 3.560 0.693 159 H SER 23 H SER 23 -13.037 5.292 5.120 160 HA SER 23 HA SER 23 -14.953 4.711 6.970 161 2HB SER 23 2HB SER 23 -12.403 4.578 7.185 162 HG SER 23 HG SER 23 -11.678 6.655 6.810 163 H GLN 24 H GLN 24 -13.580 7.916 5.991 164 HA GLN 24 HA GLN 24 -14.889 9.424 7.877 165 2HB GLN 24 2HB GLN 24 -14.735 11.080 5.636 166 2HG GLN 24 2HG GLN 24 -12.978 10.375 7.955 167 1HE2 GLN 24 1HE2 GLN 24 -12.765 12.899 5.473 168 2HE2 GLN 24 2HE2 GLN 24 -11.072 12.748 5.140 169 H THR 25 H THR 25 -15.911 8.404 4.560 170 HA THR 25 HA THR 25 -18.226 9.840 4.313 171 HB THR 25 HB THR 25 -17.629 6.946 3.498 172 HG1 THR 25 1HG THR 25 -17.014 8.271 1.519 173 1HG2 THR 25 1HG2 THR 25 -19.923 8.709 3.005 174 2HG2 THR 25 2HG2 THR 25 -19.053 8.362 1.492 175 3HG2 THR 25 3HG2 THR 25 -19.678 7.024 2.486 176 H LEU 26 H LEU 26 -17.600 7.000 6.375 177 HA LEU 26 HA LEU 26 -20.365 7.276 7.334 178 2HB LEU 26 2HB LEU 26 -20.606 5.142 6.857 179 HG LEU 26 HG LEU 26 -17.645 5.095 6.313 180 1HD1 LEU 26 1HD1 LEU 26 -19.481 2.686 6.396 181 2HD1 LEU 26 2HD1 LEU 26 -17.845 2.712 5.696 182 3HD1 LEU 26 3HD1 LEU 26 -18.072 2.996 7.438 183 1HD2 LEU 26 1HD2 LEU 26 -18.195 5.066 4.115 184 2HD2 LEU 26 2HD2 LEU 26 -19.681 4.121 4.380 185 3HD2 LEU 26 3HD2 LEU 26 -19.662 5.867 4.730 186 H ASN 27 H ASN 27 -17.836 8.785 8.054 187 HA ASN 27 HA ASN 27 -16.599 9.285 9.797 188 2HB ASN 27 2HB ASN 27 -18.874 8.795 11.698 189 1HD2 ASN 27 1HD2 ASN 27 -19.455 10.959 12.668 190 2HD2 ASN 27 2HD2 ASN 27 -18.161 12.059 13.005 191 H THR 28 H THR 28 -16.611 6.379 9.174 192 HA THR 28 HA THR 28 -16.694 5.056 11.757 193 HB THR 28 HB THR 28 -17.124 4.345 9.030 194 HG1 THR 28 1HG THR 28 -18.222 3.054 10.457 195 1HG2 THR 28 1HG2 THR 28 -14.701 2.968 10.297 196 2HG2 THR 28 2HG2 THR 28 -15.661 2.257 8.978 197 3HG2 THR 28 3HG2 THR 28 -14.761 3.768 8.709 198 HA PRO 29 HA PRO 29 -12.482 5.236 12.548 199 2HB PRO 29 2HB PRO 29 -12.738 4.266 14.621 200 2HG PRO 29 2HG PRO 29 -14.616 2.947 14.842 201 2HD PRO 29 2HD PRO 29 -15.953 3.864 13.212 202 H GLN 30 H GLN 30 -10.555 5.087 11.536 203 HA GLN 30 HA GLN 30 -10.418 3.913 9.141 204 2HB GLN 30 2HB GLN 30 -7.857 3.744 10.629 205 2HG GLN 30 2HG GLN 30 -7.340 5.562 8.843 206 1HE2 GLN 30 1HE2 GLN 30 -9.112 3.763 6.710 207 2HE2 GLN 30 2HE2 GLN 30 -8.017 2.460 6.386 208 HA PRO 31 HA PRO 31 -8.784 -0.072 11.138 209 2HB PRO 31 2HB PRO 31 -7.486 0.159 13.026 210 2HG PRO 31 2HG PRO 31 -7.788 2.140 14.166 211 2HD PRO 31 2HD PRO 31 -8.580 3.473 12.468 212 H MET 32 H MET 32 -11.167 0.349 10.068 213 HA MET 32 HA MET 32 -12.669 -1.685 11.460 214 2HB MET 32 2HB MET 32 -14.096 0.820 10.466 215 2HG MET 32 2HG MET 32 -15.078 -1.562 11.400 216 1HE MET 32 1HE MET 32 -15.072 -2.982 14.239 217 2HE MET 32 2HE MET 32 -16.565 -2.084 14.607 218 3HE MET 32 3HE MET 32 -16.206 -2.565 12.931 219 H ILE 33 H ILE 33 -12.519 0.588 8.638 220 HA ILE 33 HA ILE 33 -14.077 -1.132 6.994 221 HB ILE 33 HB ILE 33 -12.319 1.230 6.320 222 2HG1 ILE 33 2HG1 ILE 33 -14.439 2.495 6.280 223 1HG2 ILE 33 1HG2 ILE 33 -14.224 1.142 4.384 224 2HG2 ILE 33 2HG2 ILE 33 -12.586 0.462 4.225 225 3HG2 ILE 33 3HG2 ILE 33 -13.949 -0.594 4.667 226 1HD1 ILE 33 1HD1 ILE 33 -16.459 1.552 7.263 227 2HD1 ILE 33 2HD1 ILE 33 -15.942 0.488 5.933 228 3HD1 ILE 33 3HD1 ILE 33 -15.622 0.022 7.620 229 H ASN 34 H ASN 34 -10.587 -0.577 7.600 230 HA ASN 34 HA ASN 34 -9.534 -1.861 5.473 231 2HB ASN 34 2HB ASN 34 -7.707 -2.598 7.241 232 1HD2 ASN 34 1HD2 ASN 34 -7.799 0.150 8.802 233 2HD2 ASN 34 2HD2 ASN 34 -7.152 1.278 7.658 234 H ALA 35 H ALA 35 -11.004 -3.175 8.484 235 HA ALA 35 HA ALA 35 -10.174 -5.803 8.304 236 1HB ALA 35 1HB ALA 35 -11.408 -4.613 10.187 237 2HB ALA 35 2HB ALA 35 -12.901 -4.849 9.246 238 3HB ALA 35 3HB ALA 35 -11.979 -6.259 9.817 239 H MET 36 H MET 36 -12.905 -4.081 6.702 240 HA MET 36 HA MET 36 -13.902 -6.451 5.540 241 2HB MET 36 2HB MET 36 -15.392 -4.889 4.326 242 2HG MET 36 2HG MET 36 -14.746 -4.304 7.213 243 1HE MET 36 1HE MET 36 -17.051 -1.753 8.391 244 2HE MET 36 2HE MET 36 -18.223 -2.747 7.491 245 3HE MET 36 3HE MET 36 -16.900 -3.526 8.392 246 H LEU 37 H LEU 37 -11.769 -3.755 4.448 247 HA LEU 37 HA LEU 37 -11.636 -4.516 1.768 248 2HB LEU 37 2HB LEU 37 -9.446 -3.218 1.871 249 HG LEU 37 HG LEU 37 -12.065 -2.005 2.734 250 1HD1 LEU 37 1HD1 LEU 37 -9.565 -0.397 2.167 251 2HD1 LEU 37 2HD1 LEU 37 -11.160 0.198 2.685 252 3HD1 LEU 37 3HD1 LEU 37 -10.162 -0.760 3.805 253 1HD2 LEU 37 1HD2 LEU 37 -10.769 -1.046 0.293 254 2HD2 LEU 37 2HD2 LEU 37 -11.088 -2.796 0.277 255 3HD2 LEU 37 3HD2 LEU 37 -12.422 -1.651 0.560 256 H GLN 38 H GLN 38 -10.016 -5.711 4.702 257 HA GLN 38 HA GLN 38 -8.008 -7.095 3.313 258 2HB GLN 38 2HB GLN 38 -8.766 -8.244 5.917 259 2HG GLN 38 2HG GLN 38 -6.340 -6.605 5.808 260 1HE2 GLN 38 1HE2 GLN 38 -4.523 -7.856 6.457 261 2HE2 GLN 38 2HE2 GLN 38 -4.715 -9.357 7.298 262 H GLN 39 H GLN 39 -11.300 -7.921 4.503 263 HA GLN 39 HA GLN 39 -11.087 -10.651 4.010 264 2HB GLN 39 2HB GLN 39 -13.786 -9.465 3.689 265 2HG GLN 39 2HG GLN 39 -12.432 -11.472 5.538 266 1HE2 GLN 39 1HE2 GLN 39 -13.139 -11.359 7.526 267 2HE2 GLN 39 2HE2 GLN 39 -14.766 -11.071 8.046 268 H LEU 40 H LEU 40 -12.388 -7.906 2.034 269 HA LEU 40 HA LEU 40 -13.265 -9.434 -0.109 270 2HB LEU 40 2HB LEU 40 -13.185 -7.349 -1.365 271 HG LEU 40 HG LEU 40 -14.087 -6.967 1.501 272 1HD1 LEU 40 1HD1 LEU 40 -15.297 -4.998 0.782 273 2HD1 LEU 40 2HD1 LEU 40 -13.561 -4.795 0.447 274 3HD1 LEU 40 3HD1 LEU 40 -14.684 -5.186 -0.877 275 1HD2 LEU 40 1HD2 LEU 40 -15.147 -8.497 -0.605 276 2HD2 LEU 40 2HD2 LEU 40 -15.924 -8.077 0.941 277 3HD2 LEU 40 3HD2 LEU 40 -16.174 -7.048 -0.490 278 H GLU 41 H GLU 41 -10.028 -8.088 0.696 279 HA GLU 41 HA GLU 41 -8.864 -8.691 -1.742 280 2HB GLU 41 2HB GLU 41 -7.593 -8.538 1.028 281 2HG GLU 41 2HG GLU 41 -5.991 -7.614 -1.237 282 HE2 GLU 41 HE GLU 41 -4.146 -7.875 1.391 283 H SER 42 H SER 42 -8.829 -10.526 1.399 284 HA SER 42 HA SER 42 -7.376 -12.654 0.518 285 2HB SER 42 2HB SER 42 -9.714 -12.830 2.465 286 HG SER 42 HG SER 42 -8.877 -14.778 2.739 287 H MET 43 H MET 43 -10.965 -12.136 0.443 288 HA MET 43 HA MET 43 -11.521 -14.626 -0.686 289 2HB MET 43 2HB MET 43 -13.720 -13.344 -1.336 290 2HG MET 43 2HG MET 43 -13.288 -12.789 1.555 291 1HE MET 43 1HE MET 43 -15.955 -11.778 1.195 292 2HE MET 43 2HE MET 43 -16.846 -12.998 2.137 293 3HE MET 43 3HE MET 43 -15.200 -12.526 2.623 294 H GLY 44 H GLY 44 -11.107 -11.323 -2.119 295 1HA GLY 44 1HA GLY 44 -9.982 -11.064 -4.189 296 2HA GLY 44 2HA GLY 44 -10.585 -12.624 -4.711 297 H LYS 45 H LYS 45 -12.347 -9.895 -3.101 298 HA LYS 45 HA LYS 45 -14.210 -9.954 -5.358 299 2HB LYS 45 2HB LYS 45 -15.881 -9.251 -3.903 300 2HG LYS 45 2HG LYS 45 -15.562 -10.593 -1.760 301 2HD LYS 45 2HD LYS 45 -14.538 -12.491 -3.768 302 2HE LYS 45 2HE LYS 45 -16.813 -12.154 -1.893 303 1HZ LYS 45 1HZ LYS 45 -17.586 -14.100 -3.776 304 2HZ LYS 45 2HZ LYS 45 -18.433 -12.799 -3.285 305 H ALA 46 H ALA 46 -12.159 -7.801 -3.324 306 HA ALA 46 HA ALA 46 -12.727 -5.618 -5.181 307 1HB ALA 46 1HB ALA 46 -10.942 -5.087 -2.906 308 2HB ALA 46 2HB ALA 46 -12.442 -4.263 -3.396 309 3HB ALA 46 3HB ALA 46 -12.520 -5.745 -2.413 310 H VAL 47 H VAL 47 -10.543 -4.149 -5.379 311 HA VAL 47 HA VAL 47 -8.314 -5.946 -5.969 312 HB VAL 47 HB VAL 47 -8.006 -4.943 -8.146 313 1HG1 VAL 47 1HG1 VAL 47 -9.922 -6.803 -7.493 314 2HG1 VAL 47 2HG1 VAL 47 -10.851 -5.633 -8.460 315 3HG1 VAL 47 3HG1 VAL 47 -9.399 -6.400 -9.146 316 1HG2 VAL 47 1HG2 VAL 47 -10.532 -3.372 -7.538 317 2HG2 VAL 47 2HG2 VAL 47 -8.890 -2.719 -7.757 318 3HG2 VAL 47 3HG2 VAL 47 -9.744 -3.461 -9.132 319 H ARG 48 H ARG 48 -6.230 -4.798 -6.118 320 HA ARG 48 HA ARG 48 -6.274 -2.592 -4.289 321 2HB ARG 48 2HB ARG 48 -3.611 -2.973 -4.939 322 2HG ARG 48 2HG ARG 48 -4.118 -5.001 -3.064 323 2HD ARG 48 2HD ARG 48 -4.139 -2.260 -1.942 324 HE ARG 48 HE ARG 48 -2.862 -3.548 -0.487 325 1HH1 ARG 48 2HH2 ARG 48 -2.153 -4.615 -3.791 326 2HH1 ARG 48 1HH2 ARG 48 -0.991 -5.799 -3.291 327 2HH2 ARG 48 1HH ARG 48 -0.524 -6.072 -0.957 328 H ILE 49 H ILE 49 -5.575 -0.455 -4.785 329 HA ILE 49 HA ILE 49 -5.072 0.019 -7.641 330 HB ILE 49 HB ILE 49 -6.635 1.616 -5.620 331 2HG1 ILE 49 2HG1 ILE 49 -8.506 1.195 -6.923 332 1HG2 ILE 49 1HG2 ILE 49 -5.162 3.146 -6.841 333 2HG2 ILE 49 2HG2 ILE 49 -5.759 2.494 -8.386 334 3HG2 ILE 49 3HG2 ILE 49 -6.867 3.369 -7.302 335 1HD1 ILE 49 1HD1 ILE 49 -7.961 1.741 -9.139 336 2HD1 ILE 49 2HD1 ILE 49 -6.504 0.719 -9.138 337 3HD1 ILE 49 3HD1 ILE 49 -8.115 -0.029 -9.239 338 H GLN 50 H GLN 50 -3.549 1.726 -8.167 339 HA GLN 50 HA GLN 50 -1.698 2.156 -5.954 340 2HB GLN 50 2HB GLN 50 -1.213 1.817 -8.939 341 2HG GLN 50 2HG GLN 50 0.551 2.991 -6.771 342 1HE2 GLN 50 1HE2 GLN 50 2.390 3.540 -9.071 343 2HE2 GLN 50 2HE2 GLN 50 3.379 2.128 -9.240 344 H GLU 51 H GLU 51 -0.595 4.261 -5.853 345 HA GLU 51 HA GLU 51 -2.347 6.323 -6.861 346 2HB GLU 51 2HB GLU 51 -0.100 7.236 -5.211 347 2HG GLU 51 2HG GLU 51 -2.533 7.455 -3.802 348 HE2 GLU 51 HE GLU 51 -2.949 9.793 -6.056 349 H GLU 52 H GLU 52 -1.075 8.497 -7.450 350 HA GLU 52 HA GLU 52 0.046 8.229 -9.828 351 2HB GLU 52 2HB GLU 52 1.171 10.448 -9.419 352 2HG GLU 52 2HG GLU 52 -1.437 10.709 -7.979 353 HE2 GLU 52 HE GLU 52 -1.719 11.657 -11.290 354 HA PRO 53 HA PRO 53 3.994 6.494 -9.320 355 2HB PRO 53 2HB PRO 53 4.071 5.841 -11.527 356 2HG PRO 53 2HG PRO 53 2.669 7.019 -12.929 357 2HD PRO 53 2HD PRO 53 1.096 7.745 -11.418 358 H ASP 54 H ASP 54 6.488 7.306 -10.255 359 HA ASP 54 HA ASP 54 6.731 9.896 -8.965 360 2HB ASP 54 2HB ASP 54 8.424 7.415 -8.412 361 HD2 ASP 54 HD ASP 54 7.930 10.408 -6.767 362 H GLY 55 H GLY 55 9.068 10.808 -9.442 363 1HA GLY 55 1HA GLY 55 9.903 9.917 -12.139 364 2HA GLY 55 2HA GLY 55 9.885 11.586 -11.605 365 H CYS 56 H CYS 56 12.131 9.736 -12.556 366 HA CYS 56 HA CYS 56 13.736 9.114 -10.352 367 2HB CYS 56 2HB CYS 56 15.548 9.407 -12.355 368 HG CYS 56 HG CYS 56 15.582 6.961 -12.764 369 H LEU 57 H LEU 57 15.922 10.236 -9.918 370 HA LEU 57 HA LEU 57 15.416 13.091 -9.750 371 2HB LEU 57 2HB LEU 57 17.804 12.567 -8.475 372 HG LEU 57 HG LEU 57 16.603 12.609 -6.364 373 1HD1 LEU 57 1HD1 LEU 57 14.944 14.585 -7.750 374 2HD1 LEU 57 2HD1 LEU 57 16.213 14.802 -6.521 375 3HD1 LEU 57 3HD1 LEU 57 16.657 14.624 -8.235 376 1HD2 LEU 57 1HD2 LEU 57 14.161 12.105 -8.070 377 2HD2 LEU 57 2HD2 LEU 57 14.774 11.153 -6.697 378 3HD2 LEU 57 3HD2 LEU 57 14.069 12.764 -6.418 379 H SER 58 H SER 58 18.231 10.952 -10.619 380 HA SER 58 HA SER 58 19.874 11.234 -12.011 381 2HB SER 58 2HB SER 58 18.625 12.967 -14.007 382 HG SER 58 HG SER 58 20.047 11.430 -14.761 383 H GLY 59 H GLY 59 21.196 12.549 -10.622 384 1HA GLY 59 1HA GLY 59 21.784 15.150 -11.669 385 2HA GLY 59 2HA GLY 59 20.980 15.228 -10.114 386 H SER 60 H SER 60 21.923 13.784 -8.314 387 HA SER 60 HA SER 60 24.814 13.639 -8.688 388 2HB SER 60 2HB SER 60 24.013 13.949 -5.895 389 HG SER 60 HG SER 60 25.510 15.690 -7.665 390 H CYS 61 H CYS 61 25.853 11.758 -7.900 391 HA CYS 61 HA CYS 61 24.030 9.607 -7.250 392 2HB CYS 61 2HB CYS 61 26.207 8.233 -7.468 393 HG CYS 61 HG CYS 61 26.323 9.089 -10.317 394 H LYS 62 H LYS 62 27.247 10.864 -6.072 395 HA LYS 62 HA LYS 62 27.324 9.520 -3.699 396 2HB LYS 62 2HB LYS 62 28.312 12.339 -3.765 397 2HG LYS 62 2HG LYS 62 28.887 9.868 -2.395 398 2HD LYS 62 2HD LYS 62 31.478 10.935 -3.415 399 2HE LYS 62 2HE LYS 62 30.916 8.030 -3.492 400 1HZ LYS 62 1HZ LYS 62 32.953 9.860 -2.470 401 2HZ LYS 62 2HZ LYS 62 32.854 8.408 -1.740 402 H SER 63 H SER 63 26.419 9.709 -1.671 403 HA SER 63 HA SER 63 25.066 10.353 -0.100 404 2HB SER 63 2HB SER 63 24.352 13.061 -0.945 405 HG SER 63 HG SER 63 26.292 12.504 1.069 406 H CYS 64 H CYS 64 23.280 9.031 -0.549 407 HA CYS 64 HA CYS 64 20.901 10.238 -1.243 408 2HB CYS 64 2HB CYS 64 20.922 8.550 -3.488 409 HG CYS 64 HG CYS 64 19.515 10.805 -2.871 410 HA PRO 65 HA PRO 65 20.602 6.272 0.797 411 2HB PRO 65 2HB PRO 65 20.282 7.149 2.901 412 2HG PRO 65 2HG PRO 65 19.851 9.415 2.946 413 2HD PRO 65 2HD PRO 65 20.817 10.053 0.959 414 H GLU 66 H GLU 66 18.163 5.252 1.673 415 HA GLU 66 HA GLU 66 16.722 5.274 -0.863 416 2HB GLU 66 2HB GLU 66 16.359 2.895 -0.710 417 2HG GLU 66 2HG GLU 66 18.830 3.914 -1.172 418 HE2 GLU 66 HE GLU 66 19.261 1.166 1.414 419 H GLY 67 H GLY 67 14.799 3.253 0.425 420 1HA GLY 67 1HA GLY 67 13.645 4.070 2.751 421 2HA GLY 67 2HA GLY 67 13.030 5.210 1.571 422 H LYS 68 H LYS 68 13.256 1.736 2.438 423 HA LYS 68 HA LYS 68 11.674 0.793 0.319 424 2HB LYS 68 2HB LYS 68 11.319 -1.083 2.221 425 2HG LYS 68 2HG LYS 68 13.657 -1.923 1.501 426 2HD LYS 68 2HD LYS 68 12.959 -2.128 -0.934 427 2HE LYS 68 2HE LYS 68 10.440 -2.598 0.621 428 1HZ LYS 68 1HZ LYS 68 12.245 -4.342 -0.971 429 2HZ LYS 68 2HZ LYS 68 10.812 -4.809 -0.355 430 H ALA 69 H ALA 69 9.643 1.465 -0.116 431 HA ALA 69 HA ALA 69 7.564 1.032 1.689 432 1HB ALA 69 1HB ALA 69 8.337 3.961 1.378 433 2HB ALA 69 2HB ALA 69 6.931 3.321 2.262 434 3HB ALA 69 3HB ALA 69 8.578 2.993 2.852 435 H CYS 70 H CYS 70 5.761 0.748 0.447 436 HA CYS 70 HA CYS 70 5.991 1.513 -2.326 437 2HB CYS 70 2HB CYS 70 3.852 0.167 -2.536 438 HG CYS 70 HG CYS 70 5.130 -2.241 -1.480 439 H LEU 71 H LEU 71 4.319 2.801 -3.408 440 HA LEU 71 HA LEU 71 3.557 5.060 -2.012 441 2HB LEU 71 2HB LEU 71 1.886 5.185 -4.053 442 HG LEU 71 HG LEU 71 3.632 5.931 -5.568 443 1HD1 LEU 71 1HD1 LEU 71 2.904 7.304 -3.554 444 2HD1 LEU 71 2HD1 LEU 71 4.440 6.820 -2.797 445 3HD1 LEU 71 3HD1 LEU 71 4.450 7.750 -4.315 446 1HD2 LEU 71 1HD2 LEU 71 5.907 5.534 -5.340 447 2HD2 LEU 71 2HD2 LEU 71 5.765 5.088 -3.622 448 3HD2 LEU 71 3HD2 LEU 71 5.184 3.973 -4.882 449 H ARG 72 H ARG 72 1.292 5.854 -1.598 450 HA ARG 72 HA ARG 72 0.051 4.085 0.129 451 2HB ARG 72 2HB ARG 72 -1.881 6.033 -0.474 452 2HG ARG 72 2HG ARG 72 -0.059 7.235 1.341 453 2HD ARG 72 2HD ARG 72 -2.256 5.224 2.014 454 HE ARG 72 HE ARG 72 -1.691 6.030 4.126 455 1HH1 ARG 72 2HH2 ARG 72 -1.321 8.677 1.802 456 2HH1 ARG 72 1HH2 ARG 72 -0.936 9.854 3.013 457 2HH2 ARG 72 1HH ARG 72 -0.861 9.186 5.314 458 H GLU 73 H GLU 73 -0.561 2.140 -0.970 459 HA GLU 73 HA GLU 73 -1.869 2.107 -3.400 460 2HB GLU 73 2HB GLU 73 -2.536 -0.245 -2.696 461 2HG GLU 73 2HG GLU 73 0.359 0.491 -2.063 462 HE2 GLU 73 HE GLU 73 -0.647 -3.161 -3.423 463 H TRP 74 H TRP 74 -4.047 2.143 -4.021 464 HA TRP 74 HA TRP 74 -5.890 2.961 -1.896 465 2HB TRP 74 2HB TRP 74 -7.273 3.591 -4.025 466 HD1 TRP 74 HD TRP 74 -5.382 4.812 -1.321 467 HE1 TRP 74 1HE TRP 74 -4.972 7.418 -1.253 468 HE3 TRP 74 3HE TRP 74 -6.487 5.643 -6.214 469 HZ2 TRP 74 2HZ TRP 74 -5.151 9.489 -3.209 470 HZ3 TRP 74 3HZ TRP 74 -6.344 7.986 -7.056 471 HH2 TRP 74 HH TRP 74 -5.703 9.873 -5.639 472 H TRP 75 H TRP 75 -8.257 2.167 -2.374 473 HA TRP 75 HA TRP 75 -8.106 -0.634 -3.262 474 2HB TRP 75 2HB TRP 75 -9.883 -1.085 -1.574 475 HD1 TRP 75 HD TRP 75 -7.421 0.986 0.515 476 HE1 TRP 75 1HE TRP 75 -5.642 -0.548 1.717 477 HE3 TRP 75 3HE TRP 75 -8.705 -3.297 -1.904 478 HZ2 TRP 75 2HZ TRP 75 -4.986 -3.319 1.525 479 HZ3 TRP 75 3HZ TRP 75 -7.446 -5.374 -1.338 480 HH2 TRP 75 HH TRP 75 -5.644 -5.429 0.311 481 H ALA 76 H ALA 76 -10.000 -1.404 -4.406 482 HA ALA 76 HA ALA 76 -12.123 0.462 -4.939 483 1HB ALA 76 1HB ALA 76 -10.155 -0.373 -7.106 484 2HB ALA 76 2HB ALA 76 -11.732 0.392 -7.416 485 3HB ALA 76 3HB ALA 76 -10.472 1.279 -6.526 486 H LEU 77 H LEU 77 -13.556 -0.691 -6.827 487 HA LEU 77 HA LEU 77 -13.864 -3.421 -5.841 488 2HB LEU 77 2HB LEU 77 -16.108 -3.287 -6.700 489 HG LEU 77 HG LEU 77 -15.202 -1.573 -4.647 490 1HD1 LEU 77 1HD1 LEU 77 -16.971 0.251 -4.864 491 2HD1 LEU 77 2HD1 LEU 77 -15.514 0.408 -5.874 492 3HD1 LEU 77 3HD1 LEU 77 -17.037 -0.170 -6.592 493 1HD2 LEU 77 1HD2 LEU 77 -16.760 -3.043 -3.920 494 2HD2 LEU 77 2HD2 LEU 77 -17.850 -1.667 -4.216 495 3HD2 LEU 77 3HD2 LEU 77 -17.707 -2.965 -5.425 496 H ARG 78 H ARG 78 -14.426 -5.144 -7.442 497 HA ARG 78 HA ARG 78 -12.512 -5.072 -9.500 498 2HB ARG 78 2HB ARG 78 -14.742 -7.089 -8.925 499 2HG ARG 78 2HG ARG 78 -13.673 -7.184 -11.255 500 2HD ARG 78 2HD ARG 78 -11.233 -7.904 -9.557 501 HE ARG 78 HE ARG 78 -10.965 -9.319 -11.435 502 1HH1 ARG 78 2HH2 ARG 78 -11.862 -6.056 -12.487 503 2HH1 ARG 78 1HH2 ARG 78 -11.500 -6.360 -14.154 504 2HH2 ARG 78 1HH ARG 78 -10.693 -8.521 -14.805 Start of MODEL 20 1 1H MET 1 H MET 1 -23.454 0.116 13.063 2 HA MET 1 HA MET 1 -20.770 0.579 12.211 3 2HB MET 1 2HB MET 1 -21.676 -1.996 11.357 4 2HG MET 1 2HG MET 1 -20.667 -2.014 14.101 5 1HE MET 1 1HE MET 1 -20.863 -5.059 11.946 6 2HE MET 1 2HE MET 1 -20.041 -5.100 13.524 7 3HE MET 1 3HE MET 1 -21.478 -4.076 13.295 8 H ALA 2 H ALA 2 -19.958 0.096 10.022 9 HA ALA 2 HA ALA 2 -21.812 1.064 8.030 10 1HB ALA 2 1HB ALA 2 -19.009 0.198 7.400 11 2HB ALA 2 2HB ALA 2 -19.922 1.615 6.827 12 3HB ALA 2 3HB ALA 2 -19.232 1.606 8.468 13 H SER 3 H SER 3 -21.934 -0.072 5.864 14 HA SER 3 HA SER 3 -22.015 -2.943 6.365 15 2HB SER 3 2HB SER 3 -24.241 -2.310 5.951 16 HG SER 3 HG SER 3 -24.381 -0.936 3.714 17 H LEU 4 H LEU 4 -21.492 -4.364 4.476 18 HA LEU 4 HA LEU 4 -19.131 -3.551 3.221 19 2HB LEU 4 2HB LEU 4 -20.123 -5.697 1.766 20 HG LEU 4 HG LEU 4 -18.806 -7.156 3.271 21 1HD1 LEU 4 1HD1 LEU 4 -16.610 -6.116 2.832 22 2HD1 LEU 4 2HD1 LEU 4 -17.697 -6.053 1.422 23 3HD1 LEU 4 3HD1 LEU 4 -17.433 -4.595 2.410 24 1HD2 LEU 4 1HD2 LEU 4 -17.474 -5.257 4.894 25 2HD2 LEU 4 2HD2 LEU 4 -19.221 -5.010 5.129 26 3HD2 LEU 4 3HD2 LEU 4 -18.504 -6.617 5.399 27 H ILE 5 H ILE 5 -22.568 -3.537 2.205 28 HA ILE 5 HA ILE 5 -22.092 -2.992 -0.496 29 HB ILE 5 HB ILE 5 -24.469 -2.178 1.176 30 2HG1 ILE 5 2HG1 ILE 5 -25.407 -4.401 0.414 31 1HG2 ILE 5 1HG2 ILE 5 -24.393 -1.180 -1.063 32 2HG2 ILE 5 2HG2 ILE 5 -24.222 -2.800 -1.780 33 3HG2 ILE 5 3HG2 ILE 5 -25.713 -2.364 -0.911 34 1HD1 ILE 5 1HD1 ILE 5 -22.599 -5.429 0.262 35 2HD1 ILE 5 2HD1 ILE 5 -24.073 -6.020 -0.543 36 3HD1 ILE 5 3HD1 ILE 5 -23.219 -4.595 -1.184 37 H GLN 6 H GLN 6 -22.261 -0.931 2.427 38 HA GLN 6 HA GLN 6 -22.452 1.491 1.133 39 2HB GLN 6 2HB GLN 6 -20.898 1.993 3.408 40 2HG GLN 6 2HG GLN 6 -23.816 1.519 3.837 41 1HE2 GLN 6 1HE2 GLN 6 -21.845 4.332 2.962 42 2HE2 GLN 6 2HE2 GLN 6 -21.900 5.135 4.496 43 H VAL 7 H VAL 7 -19.501 -0.289 2.293 44 HA VAL 7 HA VAL 7 -17.702 1.594 1.223 45 HB VAL 7 HB VAL 7 -17.099 0.138 3.032 46 1HG1 VAL 7 1HG1 VAL 7 -18.404 -1.809 2.699 47 2HG1 VAL 7 2HG1 VAL 7 -17.704 -2.101 1.088 48 3HG1 VAL 7 3HG1 VAL 7 -16.711 -2.338 2.547 49 1HG2 VAL 7 1HG2 VAL 7 -14.971 0.177 2.363 50 2HG2 VAL 7 2HG2 VAL 7 -15.256 -1.150 1.212 51 3HG2 VAL 7 3HG2 VAL 7 -15.543 0.536 0.717 52 H ARG 8 H ARG 8 -19.309 -1.344 -0.049 53 HA ARG 8 HA ARG 8 -17.692 -1.543 -2.308 54 2HB ARG 8 2HB ARG 8 -19.864 -2.809 -3.180 55 2HG ARG 8 2HG ARG 8 -18.946 -4.076 -0.641 56 2HD ARG 8 2HD ARG 8 -18.076 -5.646 -2.707 57 HE ARG 8 HE ARG 8 -20.101 -5.879 -0.896 58 1HH1 ARG 8 2HH2 ARG 8 -20.060 -6.395 -4.401 59 2HH1 ARG 8 1HH2 ARG 8 -21.313 -7.589 -4.365 60 2HH2 ARG 8 1HH ARG 8 -22.296 -8.196 -2.266 61 H ASP 9 H ASP 9 -20.678 0.270 -1.511 62 HA ASP 9 HA ASP 9 -21.222 0.978 -4.181 63 2HB ASP 9 2HB ASP 9 -22.082 2.474 -1.667 64 HD2 ASP 9 HD ASP 9 -24.855 3.681 -3.395 65 H LEU 10 H LEU 10 -19.724 2.588 -1.289 66 HA LEU 10 HA LEU 10 -19.269 5.067 -2.446 67 2HB LEU 10 2HB LEU 10 -17.200 4.702 -0.661 68 HG LEU 10 HG LEU 10 -18.721 5.605 1.097 69 1HD1 LEU 10 1HD1 LEU 10 -17.789 7.406 0.126 70 2HD1 LEU 10 2HD1 LEU 10 -18.169 6.852 -1.522 71 3HD1 LEU 10 3HD1 LEU 10 -19.420 7.654 -0.543 72 1HD2 LEU 10 1HD2 LEU 10 -21.011 6.343 0.309 73 2HD2 LEU 10 2HD2 LEU 10 -20.805 5.224 -1.060 74 3HD2 LEU 10 3HD2 LEU 10 -20.807 4.600 0.607 75 H LEU 11 H LEU 11 -17.205 2.097 -2.339 76 HA LEU 11 HA LEU 11 -14.983 3.152 -3.571 77 2HB LEU 11 2HB LEU 11 -14.985 0.608 -4.479 78 HG LEU 11 HG LEU 11 -14.577 1.227 -1.544 79 1HD1 LEU 11 1HD1 LEU 11 -12.891 -0.713 -3.045 80 2HD1 LEU 11 2HD1 LEU 11 -13.444 -0.731 -1.353 81 3HD1 LEU 11 3HD1 LEU 11 -14.559 -1.197 -2.659 82 1HD2 LEU 11 1HD2 LEU 11 -13.069 2.734 -2.214 83 2HD2 LEU 11 2HD2 LEU 11 -12.085 1.332 -2.698 84 3HD2 LEU 11 3HD2 LEU 11 -13.102 2.162 -3.898 85 H ALA 12 H ALA 12 -18.136 2.186 -4.915 86 HA ALA 12 HA ALA 12 -17.162 2.397 -7.624 87 1HB ALA 12 1HB ALA 12 -19.411 1.246 -6.229 88 2HB ALA 12 2HB ALA 12 -20.006 2.330 -7.509 89 3HB ALA 12 3HB ALA 12 -18.896 1.000 -7.914 90 H LEU 13 H LEU 13 -19.634 4.100 -5.564 91 HA LEU 13 HA LEU 13 -20.180 6.136 -7.317 92 2HB LEU 13 2HB LEU 13 -20.893 7.393 -5.319 93 HG LEU 13 HG LEU 13 -21.653 4.495 -4.921 94 1HD1 LEU 13 1HD1 LEU 13 -22.344 6.335 -3.278 95 2HD1 LEU 13 2HD1 LEU 13 -23.397 6.934 -4.584 96 3HD1 LEU 13 3HD1 LEU 13 -23.625 5.291 -3.939 97 1HD2 LEU 13 1HD2 LEU 13 -23.622 5.485 -6.526 98 2HD2 LEU 13 2HD2 LEU 13 -22.177 6.256 -7.225 99 3HD2 LEU 13 3HD2 LEU 13 -22.260 4.483 -7.081 100 H ARG 14 H ARG 14 -17.798 6.232 -4.568 101 HA ARG 14 HA ARG 14 -16.715 8.634 -5.598 102 2HB ARG 14 2HB ARG 14 -14.912 8.065 -3.752 103 2HG ARG 14 2HG ARG 14 -16.462 9.733 -3.134 104 2HD ARG 14 2HD ARG 14 -18.624 7.579 -3.326 105 HE ARG 14 HE ARG 14 -18.783 9.694 -1.623 106 1HH1 ARG 14 2HH2 ARG 14 -20.306 9.167 -4.778 107 2HH1 ARG 14 1HH2 ARG 14 -21.693 10.136 -4.409 108 2HH2 ARG 14 1HH ARG 14 -21.853 11.187 -2.261 109 H GLY 15 H GLY 15 -16.425 5.368 -6.463 110 1HA GLY 15 1HA GLY 15 -15.060 4.312 -7.911 111 2HA GLY 15 2HA GLY 15 -14.271 5.840 -8.245 112 H ARG 16 H ARG 16 -12.202 4.684 -8.305 113 HA ARG 16 HA ARG 16 -11.301 3.196 -6.161 114 2HB ARG 16 2HB ARG 16 -10.163 2.988 -8.274 115 2HG ARG 16 2HG ARG 16 -10.282 5.947 -8.202 116 2HD ARG 16 2HD ARG 16 -7.683 4.559 -8.567 117 HE ARG 16 HE ARG 16 -8.874 5.824 -10.882 118 1HH1 ARG 16 2HH2 ARG 16 -5.813 5.543 -9.120 119 2HH1 ARG 16 1HH2 ARG 16 -4.838 5.876 -10.512 120 2HH2 ARG 16 1HH ARG 16 -5.902 6.298 -12.617 121 H MET 17 H MET 17 -10.757 3.857 -4.105 122 HA MET 17 HA MET 17 -9.313 6.300 -3.789 123 2HB MET 17 2HB MET 17 -11.012 7.099 -2.004 124 2HG MET 17 2HG MET 17 -12.592 8.068 -3.669 125 1HE MET 17 1HE MET 17 -12.031 10.150 -5.169 126 2HE MET 17 2HE MET 17 -10.493 10.339 -6.042 127 3HE MET 17 3HE MET 17 -11.585 8.993 -6.445 128 H GLU 18 H GLU 18 -9.011 6.652 -1.205 129 HA GLU 18 HA GLU 18 -8.049 4.098 -0.319 130 2HB GLU 18 2HB GLU 18 -7.769 6.593 1.340 131 2HG GLU 18 2HG GLU 18 -5.288 5.346 0.814 132 HE2 GLU 18 HE GLU 18 -5.302 6.008 4.160 133 H ALA 19 H ALA 19 -8.355 3.496 2.082 134 HA ALA 19 HA ALA 19 -11.128 3.340 2.594 135 1HB ALA 19 1HB ALA 19 -9.172 1.724 3.189 136 2HB ALA 19 2HB ALA 19 -8.946 2.771 4.610 137 3HB ALA 19 3HB ALA 19 -10.494 1.928 4.363 138 H ALA 20 H ALA 20 -8.436 5.389 3.789 139 HA ALA 20 HA ALA 20 -9.520 6.484 6.015 140 1HB ALA 20 1HB ALA 20 -8.333 8.654 4.830 141 2HB ALA 20 2HB ALA 20 -7.451 7.357 5.670 142 3HB ALA 20 3HB ALA 20 -7.620 7.315 3.899 143 H GLN 21 H GLN 21 -10.351 7.141 2.586 144 HA GLN 21 HA GLN 21 -12.022 9.320 3.251 145 2HB GLN 21 2HB GLN 21 -12.852 8.476 0.747 146 2HG GLN 21 2HG GLN 21 -10.531 9.909 0.199 147 1HE2 GLN 21 1HE2 GLN 21 -13.501 10.454 2.094 148 2HE2 GLN 21 2HE2 GLN 21 -14.247 11.583 1.013 149 H ILE 22 H ILE 22 -12.527 5.831 2.439 150 HA ILE 22 HA ILE 22 -15.312 5.905 2.473 151 HB ILE 22 HB ILE 22 -13.412 3.645 3.109 152 2HG1 ILE 22 2HG1 ILE 22 -13.393 5.006 0.815 153 1HG2 ILE 22 1HG2 ILE 22 -15.203 2.136 2.662 154 2HG2 ILE 22 2HG2 ILE 22 -15.780 3.307 3.872 155 3HG2 ILE 22 3HG2 ILE 22 -16.283 3.461 2.171 156 1HD1 ILE 22 1HD1 ILE 22 -12.676 2.369 1.681 157 2HD1 ILE 22 2HD1 ILE 22 -13.388 2.222 0.057 158 3HD1 ILE 22 3HD1 ILE 22 -11.996 3.298 0.324 159 H SER 23 H SER 23 -12.960 4.980 5.085 160 HA SER 23 HA SER 23 -14.766 4.463 7.025 161 2HB SER 23 2HB SER 23 -12.301 4.145 7.210 162 HG SER 23 HG SER 23 -12.168 6.937 7.930 163 H GLN 24 H GLN 24 -13.622 7.622 5.789 164 HA GLN 24 HA GLN 24 -14.666 9.145 7.882 165 2HB GLN 24 2HB GLN 24 -14.681 10.765 5.572 166 2HG GLN 24 2HG GLN 24 -12.033 10.641 6.728 167 1HE2 GLN 24 1HE2 GLN 24 -11.359 12.659 6.935 168 2HE2 GLN 24 2HE2 GLN 24 -12.347 14.081 6.907 169 H THR 25 H THR 25 -15.949 8.241 4.614 170 HA THR 25 HA THR 25 -18.363 9.659 4.875 171 HB THR 25 HB THR 25 -17.606 7.194 3.218 172 HG1 THR 25 1HG THR 25 -16.238 9.025 2.820 173 1HG2 THR 25 1HG2 THR 25 -20.075 8.754 3.409 174 2HG2 THR 25 2HG2 THR 25 -19.314 8.995 1.818 175 3HG2 THR 25 3HG2 THR 25 -19.723 7.352 2.370 176 H LEU 26 H LEU 26 -17.537 6.197 5.534 177 HA LEU 26 HA LEU 26 -20.153 5.577 6.385 178 2HB LEU 26 2HB LEU 26 -19.251 3.486 7.036 179 HG LEU 26 HG LEU 26 -17.581 4.453 4.698 180 1HD1 LEU 26 1HD1 LEU 26 -18.175 1.664 5.714 181 2HD1 LEU 26 2HD1 LEU 26 -17.510 2.021 4.102 182 3HD1 LEU 26 3HD1 LEU 26 -16.589 2.459 5.561 183 1HD2 LEU 26 1HD2 LEU 26 -20.343 3.238 4.847 184 2HD2 LEU 26 2HD2 LEU 26 -19.849 4.787 4.122 185 3HD2 LEU 26 3HD2 LEU 26 -19.365 3.253 3.359 186 H ASN 27 H ASN 27 -17.745 7.559 7.737 187 HA ASN 27 HA ASN 27 -17.591 8.587 9.641 188 2HB ASN 27 2HB ASN 27 -19.889 7.435 11.103 189 1HD2 ASN 27 1HD2 ASN 27 -21.298 9.863 9.719 190 2HD2 ASN 27 2HD2 ASN 27 -20.713 11.235 10.599 191 H THR 28 H THR 28 -16.426 5.921 9.225 192 HA THR 28 HA THR 28 -16.496 4.861 11.975 193 HB THR 28 HB THR 28 -17.081 3.592 9.523 194 HG1 THR 28 1HG THR 28 -17.522 2.097 11.116 195 1HG2 THR 28 1HG2 THR 28 -14.719 3.360 8.899 196 2HG2 THR 28 2HG2 THR 28 -14.289 2.872 10.556 197 3HG2 THR 28 3HG2 THR 28 -15.272 1.793 9.538 198 HA PRO 29 HA PRO 29 -12.290 5.628 12.327 199 2HB PRO 29 2HB PRO 29 -12.222 4.862 14.497 200 2HG PRO 29 2HG PRO 29 -13.858 3.327 15.030 201 2HD PRO 29 2HD PRO 29 -15.449 3.866 13.460 202 H GLN 30 H GLN 30 -10.456 5.640 11.145 203 HA GLN 30 HA GLN 30 -10.313 4.331 8.859 204 2HB GLN 30 2HB GLN 30 -7.663 4.432 10.177 205 2HG GLN 30 2HG GLN 30 -7.511 6.296 8.303 206 1HE2 GLN 30 1HE2 GLN 30 -8.946 4.106 6.315 207 2HE2 GLN 30 2HE2 GLN 30 -7.644 2.997 6.039 208 HA PRO 31 HA PRO 31 -8.235 0.591 10.910 209 2HB PRO 31 2HB PRO 31 -6.825 1.018 12.680 210 2HG PRO 31 2HG PRO 31 -7.199 3.026 13.748 211 2HD PRO 31 2HD PRO 31 -8.220 4.203 12.057 212 H MET 32 H MET 32 -10.706 0.753 10.002 213 HA MET 32 HA MET 32 -11.944 -1.293 11.623 214 2HB MET 32 2HB MET 32 -13.649 0.988 10.546 215 2HG MET 32 2HG MET 32 -14.695 -1.130 11.471 216 1HE MET 32 1HE MET 32 -15.039 -0.536 15.545 217 2HE MET 32 2HE MET 32 -16.001 -0.574 14.047 218 3HE MET 32 3HE MET 32 -15.470 -2.096 14.803 219 H ILE 33 H ILE 33 -12.155 0.768 8.645 220 HA ILE 33 HA ILE 33 -13.649 -1.204 7.233 221 HB ILE 33 HB ILE 33 -12.306 1.383 6.506 222 2HG1 ILE 33 2HG1 ILE 33 -14.491 2.249 6.321 223 1HG2 ILE 33 1HG2 ILE 33 -13.883 0.701 4.331 224 2HG2 ILE 33 2HG2 ILE 33 -12.104 0.693 4.399 225 3HG2 ILE 33 3HG2 ILE 33 -13.014 -0.805 4.715 226 1HD1 ILE 33 1HD1 ILE 33 -16.469 0.594 6.791 227 2HD1 ILE 33 2HD1 ILE 33 -15.768 0.635 5.156 228 3HD1 ILE 33 3HD1 ILE 33 -15.320 -0.667 6.283 229 H ASN 34 H ASN 34 -10.228 -0.457 7.780 230 HA ASN 34 HA ASN 34 -9.113 -1.656 5.616 231 2HB ASN 34 2HB ASN 34 -7.280 -2.330 7.477 232 1HD2 ASN 34 1HD2 ASN 34 -8.018 0.788 8.478 233 2HD2 ASN 34 2HD2 ASN 34 -7.114 1.705 7.318 234 H ALA 35 H ALA 35 -10.630 -3.035 8.541 235 HA ALA 35 HA ALA 35 -9.599 -5.651 8.261 236 1HB ALA 35 1HB ALA 35 -10.569 -5.813 10.279 237 2HB ALA 35 2HB ALA 35 -11.211 -4.166 10.071 238 3HB ALA 35 3HB ALA 35 -12.180 -5.569 9.560 239 H MET 36 H MET 36 -12.647 -4.008 7.209 240 HA MET 36 HA MET 36 -13.783 -6.301 6.129 241 2HB MET 36 2HB MET 36 -15.370 -4.735 5.124 242 2HG MET 36 2HG MET 36 -14.847 -2.805 7.206 243 1HE MET 36 1HE MET 36 -17.338 -5.085 9.402 244 2HE MET 36 2HE MET 36 -15.918 -4.012 9.471 245 3HE MET 36 3HE MET 36 -17.551 -3.321 9.305 246 H LEU 37 H LEU 37 -11.861 -3.622 4.616 247 HA LEU 37 HA LEU 37 -12.014 -4.488 2.006 248 2HB LEU 37 2HB LEU 37 -9.744 -3.301 1.835 249 HG LEU 37 HG LEU 37 -12.245 -1.961 2.837 250 1HD1 LEU 37 1HD1 LEU 37 -10.647 -0.545 3.815 251 2HD1 LEU 37 2HD1 LEU 37 -9.543 -0.680 2.424 252 3HD1 LEU 37 3HD1 LEU 37 -11.064 0.231 2.269 253 1HD2 LEU 37 1HD2 LEU 37 -11.739 -0.842 0.464 254 2HD2 LEU 37 2HD2 LEU 37 -10.885 -2.386 0.226 255 3HD2 LEU 37 3HD2 LEU 37 -12.617 -2.380 0.639 256 H GLN 38 H GLN 38 -9.978 -5.618 4.722 257 HA GLN 38 HA GLN 38 -8.236 -7.120 3.159 258 2HB GLN 38 2HB GLN 38 -8.817 -8.205 5.852 259 2HG GLN 38 2HG GLN 38 -6.282 -6.769 5.338 260 1HE2 GLN 38 1HE2 GLN 38 -4.837 -7.600 6.651 261 2HE2 GLN 38 2HE2 GLN 38 -4.925 -9.127 7.466 262 H GLN 39 H GLN 39 -11.409 -7.851 4.695 263 HA GLN 39 HA GLN 39 -11.340 -10.581 4.182 264 2HB GLN 39 2HB GLN 39 -14.018 -9.315 4.124 265 2HG GLN 39 2HG GLN 39 -12.532 -11.390 5.774 266 1HE2 GLN 39 1HE2 GLN 39 -13.674 -12.449 7.428 267 2HE2 GLN 39 2HE2 GLN 39 -14.885 -11.649 8.372 268 H LEU 40 H LEU 40 -12.895 -7.838 2.375 269 HA LEU 40 HA LEU 40 -13.942 -9.361 0.318 270 2HB LEU 40 2HB LEU 40 -13.973 -7.249 -0.940 271 HG LEU 40 HG LEU 40 -14.734 -6.964 1.978 272 1HD1 LEU 40 1HD1 LEU 40 -16.253 -5.214 0.334 273 2HD1 LEU 40 2HD1 LEU 40 -15.136 -4.810 1.660 274 3HD1 LEU 40 3HD1 LEU 40 -14.530 -4.925 -0.010 275 1HD2 LEU 40 1HD2 LEU 40 -16.666 -7.984 1.500 276 2HD2 LEU 40 2HD2 LEU 40 -16.843 -7.136 -0.055 277 3HD2 LEU 40 3HD2 LEU 40 -15.823 -8.592 0.054 278 H GLU 41 H GLU 41 -10.666 -7.937 0.767 279 HA GLU 41 HA GLU 41 -9.735 -8.465 -1.764 280 2HB GLU 41 2HB GLU 41 -8.227 -8.437 0.887 281 2HG GLU 41 2HG GLU 41 -6.795 -7.480 -1.478 282 HE2 GLU 41 HE GLU 41 -5.673 -10.320 -1.175 283 H SER 42 H SER 42 -9.514 -10.477 1.253 284 HA SER 42 HA SER 42 -8.118 -12.553 0.183 285 2HB SER 42 2HB SER 42 -10.364 -13.063 2.144 286 HG SER 42 HG SER 42 -7.854 -14.149 1.511 287 H MET 43 H MET 43 -11.692 -11.974 0.247 288 HA MET 43 HA MET 43 -12.382 -14.395 -0.915 289 2HB MET 43 2HB MET 43 -14.493 -12.955 -1.590 290 2HG MET 43 2HG MET 43 -14.052 -12.529 1.326 291 1HE MET 43 1HE MET 43 -17.261 -14.993 1.881 292 2HE MET 43 2HE MET 43 -15.740 -15.727 1.319 293 3HE MET 43 3HE MET 43 -15.712 -14.499 2.606 294 H GLY 44 H GLY 44 -11.798 -11.123 -2.362 295 1HA GLY 44 1HA GLY 44 -10.638 -10.958 -4.435 296 2HA GLY 44 2HA GLY 44 -11.367 -12.464 -4.955 297 H LYS 45 H LYS 45 -12.802 -9.513 -3.391 298 HA LYS 45 HA LYS 45 -14.738 -9.470 -5.587 299 2HB LYS 45 2HB LYS 45 -16.286 -8.544 -4.117 300 2HG LYS 45 2HG LYS 45 -16.049 -9.853 -1.941 301 2HD LYS 45 2HD LYS 45 -15.336 -11.611 -4.313 302 2HE LYS 45 2HE LYS 45 -17.715 -12.257 -2.727 303 1HZ LYS 45 1HZ LYS 45 -15.219 -13.563 -3.562 304 2HZ LYS 45 2HZ LYS 45 -16.091 -14.264 -2.379 305 H ALA 46 H ALA 46 -12.900 -7.177 -3.442 306 HA ALA 46 HA ALA 46 -13.055 -5.197 -5.563 307 1HB ALA 46 1HB ALA 46 -13.041 -3.745 -3.846 308 2HB ALA 46 2HB ALA 46 -13.103 -5.142 -2.746 309 3HB ALA 46 3HB ALA 46 -11.533 -4.438 -3.202 310 H VAL 47 H VAL 47 -10.784 -3.807 -5.541 311 HA VAL 47 HA VAL 47 -8.601 -5.740 -5.770 312 HB VAL 47 HB VAL 47 -7.950 -4.756 -7.910 313 1HG1 VAL 47 1HG1 VAL 47 -9.781 -6.690 -7.515 314 2HG1 VAL 47 2HG1 VAL 47 -10.772 -5.540 -8.445 315 3HG1 VAL 47 3HG1 VAL 47 -9.254 -6.167 -9.131 316 1HG2 VAL 47 1HG2 VAL 47 -8.746 -2.770 -8.539 317 2HG2 VAL 47 2HG2 VAL 47 -10.339 -3.521 -8.794 318 3HG2 VAL 47 3HG2 VAL 47 -9.941 -2.791 -7.221 319 H ARG 48 H ARG 48 -6.444 -4.682 -5.735 320 HA ARG 48 HA ARG 48 -6.598 -2.411 -3.982 321 2HB ARG 48 2HB ARG 48 -3.968 -3.637 -4.818 322 2HG ARG 48 2HG ARG 48 -4.612 -1.806 -2.916 323 2HD ARG 48 2HD ARG 48 -5.712 -4.226 -1.882 324 HE ARG 48 HE ARG 48 -3.866 -5.066 -0.714 325 1HH1 ARG 48 2HH2 ARG 48 -3.832 -1.528 -0.502 326 2HH1 ARG 48 1HH2 ARG 48 -2.519 -1.485 0.628 327 2HH2 ARG 48 1HH ARG 48 -1.538 -3.543 1.366 328 H ILE 49 H ILE 49 -5.694 -0.347 -4.459 329 HA ILE 49 HA ILE 49 -4.763 -0.046 -7.230 330 HB ILE 49 HB ILE 49 -6.501 1.742 -5.536 331 2HG1 ILE 49 2HG1 ILE 49 -8.090 1.506 -7.370 332 1HG2 ILE 49 1HG2 ILE 49 -6.424 3.295 -7.528 333 2HG2 ILE 49 2HG2 ILE 49 -4.953 3.237 -6.528 334 3HG2 ILE 49 3HG2 ILE 49 -5.004 2.377 -8.086 335 1HD1 ILE 49 1HD1 ILE 49 -6.309 -0.645 -8.552 336 2HD1 ILE 49 2HD1 ILE 49 -7.708 0.175 -9.286 337 3HD1 ILE 49 3HD1 ILE 49 -6.168 1.045 -9.092 338 H GLN 50 H GLN 50 -3.080 1.545 -7.597 339 HA GLN 50 HA GLN 50 -1.561 2.009 -5.150 340 2HB GLN 50 2HB GLN 50 -0.641 1.464 -7.999 341 2HG GLN 50 2HG GLN 50 0.824 2.668 -5.638 342 1HE2 GLN 50 1HE2 GLN 50 3.029 2.468 -5.441 343 2HE2 GLN 50 2HE2 GLN 50 3.936 1.147 -6.098 344 H GLU 51 H GLU 51 -0.366 4.056 -4.986 345 HA GLU 51 HA GLU 51 -1.745 6.122 -6.486 346 2HB GLU 51 2HB GLU 51 -0.148 7.319 -4.477 347 2HG GLU 51 2HG GLU 51 -2.925 6.637 -3.701 348 HE2 GLU 51 HE GLU 51 -2.322 9.461 -5.441 349 H GLU 52 H GLU 52 -0.299 8.170 -6.927 350 HA GLU 52 HA GLU 52 1.485 7.615 -8.819 351 2HB GLU 52 2HB GLU 52 2.547 9.930 -8.090 352 2HG GLU 52 2HG GLU 52 -0.149 10.710 -8.538 353 HE2 GLU 52 HE GLU 52 1.239 12.597 -9.922 354 HA PRO 53 HA PRO 53 4.748 5.850 -6.427 355 2HB PRO 53 2HB PRO 53 4.739 3.881 -7.619 356 2HG PRO 53 2HG PRO 53 3.559 3.958 -9.599 357 2HD PRO 53 2HD PRO 53 2.108 5.682 -9.142 358 H ASP 54 H ASP 54 7.349 5.534 -7.369 359 HA ASP 54 HA ASP 54 8.077 8.099 -8.393 360 2HB ASP 54 2HB ASP 54 8.968 7.186 -5.616 361 HD2 ASP 54 HD ASP 54 8.764 10.297 -6.956 362 H GLY 55 H GLY 55 10.369 8.068 -9.113 363 1HA GLY 55 1HA GLY 55 12.456 6.624 -8.759 364 2HA GLY 55 2HA GLY 55 11.426 5.326 -9.330 365 H CYS 56 H CYS 56 13.869 7.106 -10.396 366 HA CYS 56 HA CYS 56 13.325 6.702 -13.080 367 2HB CYS 56 2HB CYS 56 13.469 9.538 -13.206 368 HG CYS 56 HG CYS 56 12.216 9.164 -15.170 369 H LEU 57 H LEU 57 15.203 7.517 -14.417 370 HA LEU 57 HA LEU 57 17.607 7.160 -13.124 371 2HB LEU 57 2HB LEU 57 18.349 8.538 -15.317 372 HG LEU 57 HG LEU 57 18.294 6.497 -16.636 373 1HD1 LEU 57 1HD1 LEU 57 18.983 5.255 -14.070 374 2HD1 LEU 57 2HD1 LEU 57 19.991 5.595 -15.496 375 3HD1 LEU 57 3HD1 LEU 57 19.685 6.874 -14.298 376 1HD2 LEU 57 1HD2 LEU 57 16.187 5.726 -14.691 377 2HD2 LEU 57 2HD2 LEU 57 16.355 5.352 -16.423 378 3HD2 LEU 57 3HD2 LEU 57 17.301 4.441 -15.221 379 H SER 58 H SER 58 19.465 8.846 -13.103 380 HA SER 58 HA SER 58 18.599 11.522 -12.668 381 2HB SER 58 2HB SER 58 18.115 10.293 -10.473 382 HG SER 58 HG SER 58 20.133 10.113 -9.135 383 H GLY 59 H GLY 59 20.630 12.893 -11.919 384 1HA GLY 59 1HA GLY 59 23.076 11.658 -13.033 385 2HA GLY 59 2HA GLY 59 22.550 13.270 -13.476 386 H SER 60 H SER 60 24.706 11.655 -11.556 387 HA SER 60 HA SER 60 25.990 12.225 -9.903 388 2HB SER 60 2HB SER 60 24.811 15.011 -9.755 389 HG SER 60 HG SER 60 27.450 13.855 -9.512 390 H CYS 61 H CYS 61 25.934 12.053 -7.614 391 HA CYS 61 HA CYS 61 23.281 11.785 -6.539 392 2HB CYS 61 2HB CYS 61 25.827 11.370 -4.975 393 HG CYS 61 HG CYS 61 24.660 9.729 -3.514 394 H LYS 62 H LYS 62 22.637 12.897 -4.504 395 HA LYS 62 HA LYS 62 24.192 14.982 -3.435 396 2HB LYS 62 2HB LYS 62 21.862 16.194 -4.833 397 2HG LYS 62 2HG LYS 62 24.238 17.685 -5.153 398 2HD LYS 62 2HD LYS 62 23.206 18.905 -3.029 399 2HE LYS 62 2HE LYS 62 21.088 18.897 -5.067 400 1HZ LYS 62 1HZ LYS 62 22.768 20.732 -3.666 401 2HZ LYS 62 2HZ LYS 62 22.666 21.145 -5.237 402 H SER 63 H SER 63 20.690 14.348 -4.199 403 HA SER 63 HA SER 63 19.915 15.002 -1.594 404 2HB SER 63 2HB SER 63 17.706 14.032 -2.293 405 HG SER 63 HG SER 63 18.218 16.189 -2.997 406 H CYS 64 H CYS 64 18.654 13.374 -0.146 407 HA CYS 64 HA CYS 64 20.194 10.884 -0.095 408 2HB CYS 64 2HB CYS 64 19.048 11.130 2.411 409 HG CYS 64 HG CYS 64 21.242 10.463 2.980 410 HA PRO 65 HA PRO 65 16.390 8.836 -0.659 411 2HB PRO 65 2HB PRO 65 17.441 6.870 -1.236 412 2HG PRO 65 2HG PRO 65 19.604 6.671 -0.461 413 2HD PRO 65 2HD PRO 65 20.153 8.891 -0.210 414 H GLU 66 H GLU 66 15.115 6.844 0.812 415 HA GLU 66 HA GLU 66 14.652 8.310 3.289 416 2HB GLU 66 2HB GLU 66 12.283 8.069 3.068 417 2HG GLU 66 2HG GLU 66 13.609 9.642 1.348 418 HE2 GLU 66 HE GLU 66 11.060 8.381 -0.409 419 H GLY 67 H GLY 67 12.484 6.264 3.941 420 1HA GLY 67 1HA GLY 67 14.322 4.093 4.732 421 2HA GLY 67 2HA GLY 67 12.901 4.612 5.615 422 H LYS 68 H LYS 68 11.822 2.599 5.612 423 HA LYS 68 HA LYS 68 11.151 1.556 2.954 424 2HB LYS 68 2HB LYS 68 10.534 -0.523 4.322 425 2HG LYS 68 2HG LYS 68 13.059 -1.073 4.647 426 2HD LYS 68 2HD LYS 68 11.441 -0.938 2.357 427 2HE LYS 68 2HE LYS 68 14.168 -0.063 1.429 428 1HZ LYS 68 1HZ LYS 68 12.044 -0.819 0.094 429 2HZ LYS 68 2HZ LYS 68 11.602 0.740 0.260 430 H ALA 69 H ALA 69 9.098 1.759 2.219 431 HA ALA 69 HA ALA 69 6.839 1.583 3.827 432 1HB ALA 69 1HB ALA 69 6.305 3.707 4.453 433 2HB ALA 69 2HB ALA 69 8.061 3.972 4.336 434 3HB ALA 69 3HB ALA 69 6.999 4.425 2.981 435 H CYS 70 H CYS 70 5.021 1.340 2.512 436 HA CYS 70 HA CYS 70 5.613 1.492 -0.330 437 2HB CYS 70 2HB CYS 70 3.549 0.099 -0.570 438 HG CYS 70 HG CYS 70 6.209 -0.564 1.191 439 H LEU 71 H LEU 71 4.105 2.584 -1.792 440 HA LEU 71 HA LEU 71 3.223 5.044 -0.870 441 2HB LEU 71 2HB LEU 71 1.843 4.850 -3.112 442 HG LEU 71 HG LEU 71 3.794 5.356 -4.474 443 1HD1 LEU 71 1HD1 LEU 71 4.227 7.398 -3.549 444 2HD1 LEU 71 2HD1 LEU 71 2.806 6.927 -2.585 445 3HD1 LEU 71 3HD1 LEU 71 4.442 6.741 -1.909 446 1HD2 LEU 71 1HD2 LEU 71 5.324 4.222 -2.140 447 2HD2 LEU 71 2HD2 LEU 71 5.444 3.823 -3.871 448 3HD2 LEU 71 3HD2 LEU 71 6.069 5.378 -3.269 449 H ARG 72 H ARG 72 0.937 5.886 -0.892 450 HA ARG 72 HA ARG 72 -0.564 4.335 0.868 451 2HB ARG 72 2HB ARG 72 -2.330 6.264 -0.116 452 2HG ARG 72 2HG ARG 72 -0.666 7.625 1.726 453 2HD ARG 72 2HD ARG 72 -2.935 5.698 2.405 454 HE ARG 72 HE ARG 72 -2.529 6.713 4.465 455 1HH1 ARG 72 2HH2 ARG 72 -2.005 9.122 1.919 456 2HH1 ARG 72 1HH2 ARG 72 -1.735 10.421 3.032 457 2HH2 ARG 72 1HH ARG 72 -1.837 9.989 5.388 458 H GLU 73 H GLU 73 -1.118 2.314 -0.119 459 HA GLU 73 HA GLU 73 -2.119 2.105 -2.688 460 2HB GLU 73 2HB GLU 73 -2.934 -0.165 -1.888 461 2HG GLU 73 2HG GLU 73 -0.143 0.889 -1.550 462 HE2 GLU 73 HE GLU 73 -0.555 -2.876 -0.215 463 H TRP 74 H TRP 74 -4.213 2.115 -3.564 464 HA TRP 74 HA TRP 74 -6.267 3.141 -1.741 465 2HB TRP 74 2HB TRP 74 -7.356 3.647 -4.073 466 HD1 TRP 74 HD TRP 74 -5.846 5.016 -1.214 467 HE1 TRP 74 1HE TRP 74 -5.389 7.615 -1.246 468 HE3 TRP 74 3HE TRP 74 -6.210 5.548 -6.258 469 HZ2 TRP 74 2HZ TRP 74 -5.233 9.558 -3.330 470 HZ3 TRP 74 3HZ TRP 74 -5.892 7.830 -7.210 471 HH2 TRP 74 HH TRP 74 -5.420 9.793 -5.834 472 H TRP 75 H TRP 75 -8.587 2.381 -2.499 473 HA TRP 75 HA TRP 75 -8.418 -0.473 -3.190 474 2HB TRP 75 2HB TRP 75 -10.407 -0.765 -1.690 475 HD1 TRP 75 HD TRP 75 -8.088 1.220 0.614 476 HE1 TRP 75 1HE TRP 75 -6.511 -0.366 2.013 477 HE3 TRP 75 3HE TRP 75 -9.262 -3.038 -1.905 478 HZ2 TRP 75 2HZ TRP 75 -5.943 -3.162 1.911 479 HZ3 TRP 75 3HZ TRP 75 -8.151 -5.153 -1.192 480 HH2 TRP 75 HH TRP 75 -6.544 -5.259 0.646 481 H ALA 76 H ALA 76 -10.175 -1.251 -4.518 482 HA ALA 76 HA ALA 76 -12.200 0.611 -5.348 483 1HB ALA 76 1HB ALA 76 -9.848 0.848 -6.695 484 2HB ALA 76 2HB ALA 76 -10.623 -0.441 -7.645 485 3HB ALA 76 3HB ALA 76 -11.440 1.128 -7.439 486 H LEU 77 H LEU 77 -13.406 -0.597 -7.366 487 HA LEU 77 HA LEU 77 -13.821 -3.307 -6.354 488 2HB LEU 77 2HB LEU 77 -15.998 -3.186 -7.221 489 HG LEU 77 HG LEU 77 -15.322 -0.427 -6.170 490 1HD1 LEU 77 1HD1 LEU 77 -17.588 -1.058 -7.589 491 2HD1 LEU 77 2HD1 LEU 77 -18.098 -1.333 -5.906 492 3HD1 LEU 77 3HD1 LEU 77 -17.441 0.248 -6.390 493 1HD2 LEU 77 1HD2 LEU 77 -16.498 -1.366 -4.111 494 2HD2 LEU 77 2HD2 LEU 77 -16.301 -2.967 -4.865 495 3HD2 LEU 77 3HD2 LEU 77 -14.869 -1.986 -4.470 496 H ARG 78 H ARG 78 -14.172 -5.068 -7.938 497 HA ARG 78 HA ARG 78 -12.114 -5.010 -9.834 498 2HB ARG 78 2HB ARG 78 -14.395 -7.012 -9.430 499 2HG ARG 78 2HG ARG 78 -13.122 -7.100 -11.675 500 2HD ARG 78 2HD ARG 78 -10.886 -8.384 -10.106 501 HE ARG 78 HE ARG 78 -10.401 -6.850 -12.554 502 1HH1 ARG 78 2HH2 ARG 78 -11.402 -9.996 -11.269 503 2HH1 ARG 78 1HH2 ARG 78 -10.964 -10.861 -12.705 504 2HH2 ARG 78 1HH ARG 78 -10.037 -9.661 -14.561
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