NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18675 | 2dw3 | 10024 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HT ALA 1 -9.428 -53.572 16.219 2 2H ALA 1 2HT ALA 1 -8.458 -53.353 17.619 3 3H ALA 1 3HT ALA 1 -7.745 -53.285 16.061 4 HA ALA 1 HA ALA 1 -9.806 -51.467 16.072 5 1HB ALA 1 1HB ALA 1 -9.126 -51.842 18.679 6 2HB ALA 1 2HB ALA 1 -9.783 -50.346 18.017 7 3HB ALA 1 3HB ALA 1 -8.041 -50.532 18.217 8 H ASP 2 H ASP 2 -9.083 -50.403 14.351 9 HA ASP 2 HA ASP 2 -6.579 -49.010 14.435 10 1HB ASP 2 2HB ASP 2 -6.048 -51.415 13.680 11 2HB ASP 2 1HB ASP 2 -6.862 -50.987 12.179 12 H LYS 3 H LYS 3 -8.551 -50.260 11.744 13 HA LYS 3 HA LYS 3 -8.843 -47.544 10.731 14 1HB LYS 3 2HB LYS 3 -8.200 -49.555 9.298 15 2HB LYS 3 1HB LYS 3 -9.873 -50.073 9.457 16 1HG LYS 3 2HG LYS 3 -10.605 -48.572 7.971 17 2HG LYS 3 1HG LYS 3 -9.562 -47.297 8.598 18 1HD LYS 3 2HD LYS 3 -7.646 -48.577 7.471 19 2HD LYS 3 1HD LYS 3 -8.913 -49.445 6.603 20 1HE LYS 3 2HE LYS 3 -8.132 -47.602 5.258 21 2HE LYS 3 1HE LYS 3 -9.786 -47.289 5.783 22 1HZ LYS 3 1HZ LYS 3 -8.522 -46.068 7.720 23 2HZ LYS 3 2HZ LYS 3 -8.835 -45.295 6.250 24 3HZ LYS 3 3HZ LYS 3 -7.303 -45.946 6.553 25 H THR 4 H THR 4 -10.799 -50.201 11.948 26 HA THR 4 HA THR 4 -13.313 -49.010 11.384 27 HB THR 4 HB THR 4 -12.732 -51.067 13.519 28 HG1 THR 4 1HG THR 4 -11.909 -51.584 11.349 29 1HG2 THR 4 1HG2 THR 4 -15.186 -50.186 12.096 30 2HG2 THR 4 2HG2 THR 4 -14.955 -50.630 13.788 31 3HG2 THR 4 3HG2 THR 4 -15.019 -51.882 12.547 32 H ILE 5 H ILE 5 -14.084 -47.237 12.278 33 HA ILE 5 HA ILE 5 -14.391 -45.493 13.721 34 HB ILE 5 HB ILE 5 -14.502 -47.662 15.815 35 1HG1 ILE 5 2HG1 ILE 5 -15.872 -48.303 13.890 36 2HG1 ILE 5 1HG1 ILE 5 -16.892 -47.857 15.255 37 1HG2 ILE 5 1HG2 ILE 5 -14.648 -45.625 16.923 38 2HG2 ILE 5 2HG2 ILE 5 -16.337 -46.052 16.657 39 3HG2 ILE 5 3HG2 ILE 5 -15.554 -44.865 15.614 40 1HD1 ILE 5 1HD1 ILE 5 -17.935 -46.363 14.010 41 2HD1 ILE 5 2HD1 ILE 5 -16.957 -46.858 12.628 42 3HD1 ILE 5 3HD1 ILE 5 -16.411 -45.543 13.668 43 H PHE 6 H PHE 6 -11.826 -45.436 13.197 44 HA PHE 6 HA PHE 6 -10.656 -44.540 15.673 45 1HB PHE 6 2HB PHE 6 -9.987 -47.140 14.624 46 2HB PHE 6 1HB PHE 6 -8.572 -46.094 14.584 47 HD1 PHE 6 1HD PHE 6 -11.007 -47.782 16.722 48 HD2 PHE 6 2HD PHE 6 -7.582 -45.256 16.622 49 HE1 PHE 6 1HE PHE 6 -10.649 -48.177 19.125 50 HE2 PHE 6 2HE PHE 6 -7.219 -45.646 19.024 51 HZ PHE 6 HZ PHE 6 -8.753 -47.108 20.279 52 H ASN 7 H ASN 7 -9.183 -45.572 12.605 53 HA ASN 7 HA ASN 7 -8.186 -44.402 10.923 54 1HB ASN 7 2HB ASN 7 -10.256 -42.726 11.650 55 2HB ASN 7 1HB ASN 7 -8.844 -41.685 11.810 56 1HD2 ASN 7 1HD2 ASN 7 -10.628 -43.753 9.605 57 2HD2 ASN 7 2HD2 ASN 7 -10.052 -43.015 8.153 58 H ASP 8 H ASP 8 -8.016 -41.951 13.493 59 HA ASP 8 HA ASP 8 -6.266 -41.016 14.597 60 1HB ASP 8 2HB ASP 8 -6.017 -43.657 15.015 61 2HB ASP 8 1HB ASP 8 -4.497 -43.363 14.177 62 H HIS 9 H HIS 9 -4.438 -39.814 14.228 63 HA HIS 9 HA HIS 9 -2.700 -38.849 13.126 64 1HB HIS 9 2HB HIS 9 -2.848 -41.431 11.631 65 2HB HIS 9 1HB HIS 9 -1.912 -40.110 10.944 66 HD1 HIS 9 1HD HIS 9 -1.523 -42.939 13.049 67 HD2 HIS 9 2HD HIS 9 0.013 -39.077 13.047 68 HE1 HIS 9 1HE HIS 9 0.549 -43.038 14.471 69 HE2 HIS 9 2HE HIS 9 1.498 -40.706 14.402 70 H LEU 10 H LEU 10 -2.290 -37.512 11.297 71 HA LEU 10 HA LEU 10 -4.688 -36.504 10.109 72 1HB LEU 10 2HB LEU 10 -1.892 -35.696 10.338 73 2HB LEU 10 1HB LEU 10 -2.563 -35.329 8.760 74 HG LEU 10 HG LEU 10 -4.424 -34.110 9.893 75 1HD1 LEU 10 1HD1 LEU 10 -4.296 -35.275 12.046 76 2HD1 LEU 10 2HD1 LEU 10 -4.195 -33.525 12.236 77 3HD1 LEU 10 3HD1 LEU 10 -2.738 -34.511 12.359 78 1HD2 LEU 10 1HD2 LEU 10 -3.233 -32.240 9.671 79 2HD2 LEU 10 2HD2 LEU 10 -1.845 -33.279 9.351 80 3HD2 LEU 10 3HD2 LEU 10 -2.143 -32.683 10.984 81 H ASN 11 H ASN 11 -2.079 -38.593 9.106 82 HA ASN 11 HA ASN 11 -1.731 -39.854 7.250 83 1HB ASN 11 2HB ASN 11 -4.566 -39.803 7.667 84 2HB ASN 11 1HB ASN 11 -4.250 -39.793 5.935 85 1HD2 ASN 11 1HD2 ASN 11 -5.109 -41.883 5.758 86 2HD2 ASN 11 2HD2 ASN 11 -4.216 -43.272 6.265 87 H THR 12 H THR 12 -1.312 -37.006 7.129 88 HA THR 12 HA THR 12 -0.643 -35.458 5.603 89 HB THR 12 HB THR 12 -1.388 -37.163 3.277 90 HG1 THR 12 1HG THR 12 0.969 -38.007 4.081 91 1HG2 THR 12 1HG2 THR 12 0.785 -35.267 3.977 92 2HG2 THR 12 2HG2 THR 12 -0.175 -35.398 2.504 93 3HG2 THR 12 3HG2 THR 12 1.124 -36.548 2.815 94 H ASN 13 H ASN 13 -3.288 -37.175 3.938 95 HA ASN 13 HA ASN 13 -5.241 -36.439 3.032 96 1HB ASN 13 2HB ASN 13 -5.139 -35.595 5.699 97 2HB ASN 13 1HB ASN 13 -5.720 -34.198 4.801 98 1HD2 ASN 13 1HD2 ASN 13 -7.430 -35.156 6.519 99 2HD2 ASN 13 2HD2 ASN 13 -8.681 -36.074 5.762 100 HA PRO 14 HA PRO 14 -3.226 -33.184 0.487 101 1HB PRO 14 2HB PRO 14 -5.393 -34.159 -1.306 102 2HB PRO 14 1HB PRO 14 -3.688 -33.861 -1.661 103 1HG PRO 14 2HG PRO 14 -4.593 -36.346 -1.395 104 2HG PRO 14 1HG PRO 14 -3.008 -35.885 -0.748 105 1HD PRO 14 2HD PRO 14 -5.589 -36.317 0.693 106 2HD PRO 14 1HD PRO 14 -3.935 -36.727 1.192 107 H LYS 15 H LYS 15 -6.714 -33.822 0.783 108 HA LYS 15 HA LYS 15 -7.650 -31.321 0.005 109 1HB LYS 15 2HB LYS 15 -8.964 -33.476 0.524 110 2HB LYS 15 1HB LYS 15 -8.951 -32.925 2.194 111 1HG LYS 15 2HG LYS 15 -9.936 -30.743 1.264 112 2HG LYS 15 1HG LYS 15 -10.287 -31.690 -0.181 113 1HD LYS 15 2HD LYS 15 -11.250 -33.355 1.687 114 2HD LYS 15 1HD LYS 15 -11.492 -31.817 2.517 115 1HE LYS 15 2HE LYS 15 -13.391 -31.647 1.359 116 2HE LYS 15 1HE LYS 15 -12.381 -31.313 -0.048 117 1HZ LYS 15 1HZ LYS 15 -12.683 -33.389 -0.874 118 2HZ LYS 15 2HZ LYS 15 -14.142 -33.252 -0.031 119 3HZ LYS 15 3HZ LYS 15 -12.852 -34.112 0.646 120 H THR 16 H THR 16 -6.556 -32.449 3.174 121 HA THR 16 HA THR 16 -7.261 -30.056 4.543 122 HB THR 16 HB THR 16 -5.110 -31.957 5.442 123 HG1 THR 16 1HG THR 16 -7.060 -33.034 6.435 124 1HG2 THR 16 1HG2 THR 16 -7.246 -30.498 6.978 125 2HG2 THR 16 2HG2 THR 16 -5.555 -30.010 6.863 126 3HG2 THR 16 3HG2 THR 16 -5.983 -31.529 7.652 127 H ASN 17 H ASN 17 -4.267 -31.254 3.080 128 HA ASN 17 HA ASN 17 -2.631 -29.102 3.915 129 1HB ASN 17 2HB ASN 17 -2.425 -31.296 1.920 130 2HB ASN 17 1HB ASN 17 -1.367 -29.906 1.687 131 1HD2 ASN 17 1HD2 ASN 17 -2.535 -31.740 4.495 132 2HD2 ASN 17 2HD2 ASN 17 -0.972 -32.013 5.179 133 H LEU 18 H LEU 18 -4.583 -29.660 1.021 134 HA LEU 18 HA LEU 18 -3.747 -27.410 -0.439 135 1HB LEU 18 2HB LEU 18 -5.052 -29.317 -1.357 136 2HB LEU 18 1HB LEU 18 -6.461 -28.732 -0.491 137 HG LEU 18 HG LEU 18 -5.162 -26.775 -2.285 138 1HD1 LEU 18 1HD1 LEU 18 -6.066 -29.404 -3.221 139 2HD1 LEU 18 2HD1 LEU 18 -5.013 -28.219 -3.995 140 3HD1 LEU 18 3HD1 LEU 18 -6.764 -28.029 -4.078 141 1HD2 LEU 18 1HD2 LEU 18 -7.922 -27.546 -1.442 142 2HD2 LEU 18 2HD2 LEU 18 -7.679 -26.573 -2.891 143 3HD2 LEU 18 3HD2 LEU 18 -7.110 -25.986 -1.329 144 H ARG 19 H ARG 19 -6.467 -27.847 1.805 145 HA ARG 19 HA ARG 19 -7.503 -25.240 1.552 146 1HB ARG 19 2HB ARG 19 -7.846 -27.507 3.416 147 2HB ARG 19 1HB ARG 19 -8.230 -25.924 4.077 148 1HG ARG 19 2HG ARG 19 -10.252 -26.737 3.237 149 2HG ARG 19 1HG ARG 19 -9.688 -25.593 2.019 150 1HD ARG 19 2HD ARG 19 -9.481 -27.187 0.460 151 2HD ARG 19 1HD ARG 19 -8.732 -28.308 1.587 152 HE ARG 19 HE ARG 19 -10.802 -29.221 2.046 153 1HH1 ARG 19 1HH1 ARG 19 -11.163 -26.349 0.097 154 2HH1 ARG 19 2HH1 ARG 19 -12.817 -26.673 -0.297 155 1HH2 ARG 19 1HH2 ARG 19 -12.979 -29.650 1.527 156 2HH2 ARG 19 2HH2 ARG 19 -13.849 -28.546 0.514 157 H LEU 20 H LEU 20 -5.096 -26.637 3.729 158 HA LEU 20 HA LEU 20 -4.770 -24.387 5.395 159 1HB LEU 20 2HB LEU 20 -3.601 -26.961 5.099 160 2HB LEU 20 1HB LEU 20 -2.296 -25.791 5.128 161 HG LEU 20 HG LEU 20 -3.525 -24.876 7.248 162 1HD1 LEU 20 1HD1 LEU 20 -4.377 -27.149 8.385 163 2HD1 LEU 20 2HD1 LEU 20 -4.872 -27.447 6.720 164 3HD1 LEU 20 3HD1 LEU 20 -5.449 -26.013 7.567 165 1HD2 LEU 20 1HD2 LEU 20 -2.363 -26.934 8.498 166 2HD2 LEU 20 2HD2 LEU 20 -1.448 -25.625 7.752 167 3HD2 LEU 20 3HD2 LEU 20 -1.667 -27.149 6.893 168 H TRP 21 H TRP 21 -3.048 -25.445 2.486 169 HA TRP 21 HA TRP 21 -1.157 -23.375 2.396 170 1HB TRP 21 2HB TRP 21 -1.380 -25.594 1.009 171 2HB TRP 21 1HB TRP 21 -2.268 -24.570 -0.115 172 HD1 TRP 21 HD TRP 21 -0.796 -23.572 -1.942 173 HE1 TRP 21 1HE TRP 21 1.689 -22.945 -2.180 174 HE3 TRP 21 3HE TRP 21 0.792 -24.755 2.769 175 HZ2 TRP 21 2HZ TRP 21 4.016 -22.953 -0.580 176 HZ3 TRP 21 3HZ TRP 21 3.161 -24.416 3.336 177 HH2 TRP 21 HH TRP 21 4.740 -23.535 1.695 178 H VAL 22 H VAL 22 -4.230 -23.703 0.624 179 HA VAL 22 HA VAL 22 -4.159 -21.178 -0.595 180 HB VAL 22 HB VAL 22 -6.646 -22.719 0.154 181 1HG1 VAL 22 1HG1 VAL 22 -7.244 -20.549 -0.573 182 2HG1 VAL 22 2HG1 VAL 22 -7.498 -21.615 -1.954 183 3HG1 VAL 22 3HG1 VAL 22 -6.068 -20.586 -1.887 184 1HG2 VAL 22 1HG2 VAL 22 -5.518 -22.958 -2.563 185 2HG2 VAL 22 2HG2 VAL 22 -6.340 -24.157 -1.565 186 3HG2 VAL 22 3HG2 VAL 22 -4.639 -23.791 -1.281 187 H ALA 23 H ALA 23 -5.523 -22.245 2.482 188 HA ALA 23 HA ALA 23 -6.883 -19.889 3.157 189 1HB ALA 23 1HB ALA 23 -5.578 -21.831 5.060 190 2HB ALA 23 2HB ALA 23 -7.155 -22.066 4.308 191 3HB ALA 23 3HB ALA 23 -6.900 -20.720 5.418 192 H PHE 24 H PHE 24 -3.587 -20.952 3.978 193 HA PHE 24 HA PHE 24 -2.879 -18.649 5.443 194 1HB PHE 24 2HB PHE 24 -1.522 -21.017 4.378 195 2HB PHE 24 1HB PHE 24 -0.494 -19.589 4.427 196 HD1 PHE 24 2HD PHE 24 -3.130 -20.958 6.684 197 HD2 PHE 24 1HD PHE 24 0.890 -19.637 6.249 198 HE1 PHE 24 2HE PHE 24 -2.755 -21.323 9.088 199 HE2 PHE 24 1HE PHE 24 1.274 -20.001 8.652 200 HZ PHE 24 HZ PHE 24 -0.550 -20.844 10.075 201 H GLN 25 H GLN 25 -2.359 -19.538 2.050 202 HA GLN 25 HA GLN 25 -0.858 -17.293 1.306 203 1HB GLN 25 2HB GLN 25 -1.152 -19.396 -0.029 204 2HB GLN 25 1HB GLN 25 -2.770 -18.849 -0.445 205 1HG GLN 25 2HG GLN 25 -1.008 -16.735 -1.055 206 2HG GLN 25 1HG GLN 25 -0.281 -18.215 -1.679 207 1HE2 GLN 25 1HE2 GLN 25 -1.191 -19.234 -3.401 208 2HE2 GLN 25 2HE2 GLN 25 -2.534 -18.608 -4.289 209 H MET 26 H MET 26 -4.353 -17.882 1.163 210 HA MET 26 HA MET 26 -5.015 -15.382 0.019 211 1HB MET 26 2HB MET 26 -6.656 -17.354 1.610 212 2HB MET 26 1HB MET 26 -7.330 -15.921 0.845 213 1HG MET 26 2HG MET 26 -5.784 -17.938 -0.734 214 2HG MET 26 1HG MET 26 -7.496 -18.164 -0.381 215 1HE MET 26 1HE MET 26 -9.416 -16.889 -1.446 216 2HE MET 26 2HE MET 26 -8.701 -18.025 -2.589 217 3HE MET 26 3HE MET 26 -9.179 -16.413 -3.128 218 H MET 27 H MET 27 -5.087 -16.546 3.381 219 HA MET 27 HA MET 27 -6.069 -14.163 4.503 220 1HB MET 27 2HB MET 27 -4.674 -16.577 5.559 221 2HB MET 27 1HB MET 27 -4.799 -15.164 6.600 222 1HG MET 27 2HG MET 27 -7.049 -15.361 6.837 223 2HG MET 27 1HG MET 27 -7.266 -16.092 5.249 224 1HE MET 27 1HE MET 27 -7.275 -16.233 8.681 225 2HE MET 27 2HE MET 27 -6.141 -17.482 9.197 226 3HE MET 27 3HE MET 27 -7.850 -17.869 8.998 227 H LYS 28 H LYS 28 -2.720 -15.417 4.643 228 HA LYS 28 HA LYS 28 -1.632 -13.011 5.630 229 1HB LYS 28 2HB LYS 28 -0.695 -15.598 5.066 230 2HB LYS 28 1HB LYS 28 0.296 -14.519 4.095 231 1HG LYS 28 2HG LYS 28 1.223 -13.496 5.922 232 2HG LYS 28 1HG LYS 28 -0.162 -13.852 6.958 233 1HD LYS 28 2HD LYS 28 0.639 -15.876 7.549 234 2HD LYS 28 1HD LYS 28 1.294 -16.201 5.943 235 1HE LYS 28 2HE LYS 28 3.181 -14.734 6.400 236 2HE LYS 28 1HE LYS 28 2.518 -14.356 7.990 237 1HZ LYS 28 1HZ LYS 28 2.753 -16.694 8.588 238 2HZ LYS 28 2HZ LYS 28 4.243 -16.027 8.147 239 3HZ LYS 28 3HZ LYS 28 3.416 -17.035 7.070 240 H GLY 29 H GLY 29 -1.890 -14.321 2.351 241 1HA GLY 29 2HA GLY 29 -0.434 -12.285 1.057 242 2HA GLY 29 1HA GLY 29 -1.617 -13.338 0.297 243 H ALA 30 H ALA 30 -3.980 -12.724 0.929 244 HA ALA 30 HA ALA 30 -4.473 -10.159 -0.101 245 1HB ALA 30 1HB ALA 30 -6.202 -11.653 -0.465 246 2HB ALA 30 2HB ALA 30 -6.850 -10.618 0.808 247 3HB ALA 30 3HB ALA 30 -6.211 -12.208 1.208 248 H GLY 31 H GLY 31 -4.758 -11.370 3.238 249 1HA GLY 31 2HA GLY 31 -5.712 -9.015 4.391 250 2HA GLY 31 1HA GLY 31 -4.807 -10.254 5.243 251 H TRP 32 H TRP 32 -2.377 -10.170 4.828 252 HA TRP 32 HA TRP 32 -1.372 -7.756 5.772 253 1HB TRP 32 2HB TRP 32 -0.348 -10.180 5.672 254 2HB TRP 32 1HB TRP 32 0.392 -9.576 4.193 255 HD1 TRP 32 HD TRP 32 0.201 -8.608 7.947 256 HE1 TRP 32 1HE TRP 32 2.427 -7.484 8.588 257 HE3 TRP 32 3HE TRP 32 2.440 -8.571 3.353 258 HZ2 TRP 32 2HZ TRP 32 4.818 -6.688 7.311 259 HZ3 TRP 32 3HZ TRP 32 4.695 -7.611 3.147 260 HH2 TRP 32 HH TRP 32 5.858 -6.690 5.085 261 H ALA 33 H ALA 33 -0.695 -9.109 2.535 262 HA ALA 33 HA ALA 33 0.482 -6.836 1.467 263 1HB ALA 33 1HB ALA 33 0.356 -7.871 -0.619 264 2HB ALA 33 2HB ALA 33 -1.137 -8.717 -0.214 265 3HB ALA 33 3HB ALA 33 0.386 -9.211 0.526 266 H GLY 34 H GLY 34 -2.826 -7.935 0.663 267 1HA GLY 34 2HA GLY 34 -3.572 -5.550 -0.607 268 2HA GLY 34 1HA GLY 34 -4.685 -6.752 0.026 269 H GLY 35 H GLY 35 -4.033 -6.582 2.757 270 1HA GLY 35 2HA GLY 35 -5.675 -4.453 3.553 271 2HA GLY 35 1HA GLY 35 -4.646 -5.392 4.622 272 H VAL 36 H VAL 36 -2.179 -4.788 4.185 273 HA VAL 36 HA VAL 36 -1.860 -2.173 5.163 274 HB VAL 36 HB VAL 36 0.289 -3.866 3.885 275 1HG1 VAL 36 1HG1 VAL 36 0.636 -1.364 4.504 276 2HG1 VAL 36 2HG1 VAL 36 1.848 -2.554 4.978 277 3HG1 VAL 36 3HG1 VAL 36 0.680 -1.965 6.162 278 1HG2 VAL 36 1HG2 VAL 36 0.544 -5.072 5.820 279 2HG2 VAL 36 2HG2 VAL 36 -1.204 -4.859 5.811 280 3HG2 VAL 36 3HG2 VAL 36 -0.197 -3.828 6.826 281 H PHE 37 H PHE 37 -1.025 -3.519 1.962 282 HA PHE 37 HA PHE 37 -0.079 -1.133 0.856 283 1HB PHE 37 2HB PHE 37 -0.074 -3.629 -0.030 284 2HB PHE 37 1HB PHE 37 -1.505 -3.080 -0.897 285 HD1 PHE 37 2HD PHE 37 1.723 -1.388 -0.096 286 HD2 PHE 37 1HD PHE 37 -0.942 -2.786 -3.108 287 HE1 PHE 37 2HE PHE 37 3.161 -0.392 -1.826 288 HE2 PHE 37 1HE PHE 37 0.490 -1.791 -4.842 289 HZ PHE 37 HZ PHE 37 2.544 -0.592 -4.202 290 H PHE 38 H PHE 38 -3.240 -2.641 0.126 291 HA PHE 38 HA PHE 38 -4.271 -0.328 -1.105 292 1HB PHE 38 2HB PHE 38 -5.148 -2.984 -0.610 293 2HB PHE 38 1HB PHE 38 -6.412 -1.900 -0.045 294 HD1 PHE 38 1HD PHE 38 -4.060 -1.674 -2.928 295 HD2 PHE 38 2HD PHE 38 -8.099 -1.915 -1.608 296 HE1 PHE 38 1HE PHE 38 -4.830 -1.398 -5.247 297 HE2 PHE 38 2HE PHE 38 -8.877 -1.640 -3.927 298 HZ PHE 38 HZ PHE 38 -7.242 -1.382 -5.749 299 H GLY 39 H GLY 39 -4.688 -1.604 2.189 300 1HA GLY 39 2HA GLY 39 -6.539 0.294 3.088 301 2HA GLY 39 1HA GLY 39 -5.430 -0.600 4.112 302 H THR 40 H THR 40 -3.049 0.292 3.844 303 HA THR 40 HA THR 40 -3.027 2.845 4.979 304 HB THR 40 HB THR 40 -0.643 1.673 3.572 305 HG1 THR 40 1HG THR 40 -1.496 0.898 6.152 306 1HG2 THR 40 1HG2 THR 40 -0.546 3.879 4.848 307 2HG2 THR 40 2HG2 THR 40 0.656 2.653 5.233 308 3HG2 THR 40 3HG2 THR 40 -0.726 2.900 6.300 309 H LEU 41 H LEU 41 -1.860 1.909 1.728 310 HA LEU 41 HA LEU 41 -1.190 4.383 0.767 311 1HB LEU 41 2HB LEU 41 -1.742 1.820 -0.356 312 2HB LEU 41 1HB LEU 41 -2.479 3.037 -1.371 313 HG LEU 41 HG LEU 41 -0.273 2.529 -2.192 314 1HD1 LEU 41 1HD1 LEU 41 -0.061 5.186 -0.808 315 2HD1 LEU 41 2HD1 LEU 41 -1.147 4.907 -2.169 316 3HD1 LEU 41 3HD1 LEU 41 0.594 4.707 -2.374 317 1HD2 LEU 41 1HD2 LEU 41 1.724 3.033 -0.785 318 2HD2 LEU 41 2HD2 LEU 41 0.777 1.654 -0.227 319 3HD2 LEU 41 3HD2 LEU 41 0.644 3.206 0.598 320 H LEU 42 H LEU 42 -4.443 2.931 0.754 321 HA LEU 42 HA LEU 42 -5.655 5.098 -0.622 322 1HB LEU 42 2HB LEU 42 -6.583 2.688 0.791 323 2HB LEU 42 1HB LEU 42 -7.721 4.018 0.769 324 HG LEU 42 HG LEU 42 -7.704 4.060 -1.652 325 1HD1 LEU 42 1HD1 LEU 42 -5.927 1.648 -1.679 326 2HD1 LEU 42 2HD1 LEU 42 -5.264 3.281 -1.751 327 3HD1 LEU 42 3HD1 LEU 42 -6.367 2.719 -3.008 328 1HD2 LEU 42 1HD2 LEU 42 -8.057 1.206 -1.484 329 2HD2 LEU 42 2HD2 LEU 42 -9.262 2.477 -1.683 330 3HD2 LEU 42 3HD2 LEU 42 -8.737 2.006 -0.067 331 H LEU 43 H LEU 43 -5.469 4.260 2.828 332 HA LEU 43 HA LEU 43 -6.989 6.462 3.726 333 1HB LEU 43 2HB LEU 43 -6.172 4.260 4.931 334 2HB LEU 43 1HB LEU 43 -4.840 5.285 5.428 335 HG LEU 43 HG LEU 43 -6.614 5.151 7.128 336 1HD1 LEU 43 1HD1 LEU 43 -7.034 7.916 6.575 337 2HD1 LEU 43 2HD1 LEU 43 -5.383 7.487 6.133 338 3HD1 LEU 43 3HD1 LEU 43 -5.967 7.169 7.763 339 1HD2 LEU 43 1HD2 LEU 43 -8.311 5.481 4.891 340 2HD2 LEU 43 2HD2 LEU 43 -8.555 6.869 5.950 341 3HD2 LEU 43 3HD2 LEU 43 -8.757 5.234 6.578 342 H ILE 44 H ILE 44 -3.478 5.980 4.197 343 HA ILE 44 HA ILE 44 -3.018 8.691 4.790 344 HB ILE 44 HB ILE 44 -0.636 8.202 4.569 345 1HG1 ILE 44 2HG1 ILE 44 -0.931 5.348 4.036 346 2HG1 ILE 44 1HG1 ILE 44 -1.424 6.338 2.674 347 1HG2 ILE 44 1HG2 ILE 44 -0.580 6.245 6.183 348 2HG2 ILE 44 2HG2 ILE 44 -2.334 6.186 6.010 349 3HG2 ILE 44 3HG2 ILE 44 -1.561 7.632 6.656 350 1HD1 ILE 44 1HD1 ILE 44 0.736 7.436 2.663 351 2HD1 ILE 44 2HD1 ILE 44 0.921 5.687 2.537 352 3HD1 ILE 44 3HD1 ILE 44 1.233 6.499 4.071 353 H GLY 45 H GLY 45 -2.903 6.912 1.739 354 1HA GLY 45 2HA GLY 45 -1.551 8.875 0.237 355 2HA GLY 45 1HA GLY 45 -2.618 7.648 -0.421 356 H PHE 46 H PHE 46 -5.057 8.208 0.340 357 HA PHE 46 HA PHE 46 -5.743 10.486 -1.170 358 1HB PHE 46 2HB PHE 46 -7.152 8.417 -0.808 359 2HB PHE 46 1HB PHE 46 -7.554 9.064 0.779 360 HD1 PHE 46 2HD PHE 46 -8.793 11.215 0.948 361 HD2 PHE 46 1HD PHE 46 -8.208 9.212 -2.762 362 HE1 PHE 46 2HE PHE 46 -10.614 12.535 -0.047 363 HE2 PHE 46 1HE PHE 46 -10.027 10.531 -3.764 364 HZ PHE 46 HZ PHE 46 -11.233 12.195 -2.405 365 H PHE 47 H PHE 47 -5.637 9.942 2.340 366 HA PHE 47 HA PHE 47 -6.766 12.444 3.026 367 1HB PHE 47 2HB PHE 47 -5.911 10.168 4.412 368 2HB PHE 47 1HB PHE 47 -4.923 11.481 5.037 369 HD1 PHE 47 2HD PHE 47 -8.492 11.164 3.979 370 HD2 PHE 47 1HD PHE 47 -5.731 12.277 7.020 371 HE1 PHE 47 2HE PHE 47 -10.363 11.873 5.411 372 HE2 PHE 47 1HE PHE 47 -7.597 12.987 8.459 373 HZ PHE 47 HZ PHE 47 -9.916 12.785 7.654 374 H ARG 48 H ARG 48 -3.399 11.369 2.657 375 HA ARG 48 HA ARG 48 -2.242 13.815 3.498 376 1HB ARG 48 2HB ARG 48 -1.299 11.286 2.575 377 2HB ARG 48 1HB ARG 48 -0.491 12.540 1.654 378 1HG ARG 48 2HG ARG 48 0.392 13.531 3.611 379 2HG ARG 48 1HG ARG 48 -0.639 12.550 4.655 380 1HD ARG 48 2HD ARG 48 1.767 11.822 4.502 381 2HD ARG 48 1HD ARG 48 0.570 10.577 4.151 382 HE ARG 48 HE ARG 48 1.414 10.436 2.035 383 1HH1 ARG 48 1HH1 ARG 48 2.408 13.480 3.420 384 2HH1 ARG 48 2HH1 ARG 48 3.451 13.885 2.100 385 1HH2 ARG 48 1HH2 ARG 48 2.792 10.964 0.297 386 2HH2 ARG 48 2HH2 ARG 48 3.670 12.457 0.326 387 H VAL 49 H VAL 49 -3.212 12.600 0.315 388 HA VAL 49 HA VAL 49 -2.032 14.761 -1.112 389 HB VAL 49 HB VAL 49 -2.507 12.634 -2.218 390 1HG1 VAL 49 1HG1 VAL 49 -4.654 12.214 -1.003 391 2HG1 VAL 49 2HG1 VAL 49 -4.700 11.883 -2.732 392 3HG1 VAL 49 3HG1 VAL 49 -5.422 13.361 -2.099 393 1HG2 VAL 49 1HG2 VAL 49 -2.430 13.884 -4.051 394 2HG2 VAL 49 2HG2 VAL 49 -3.196 15.236 -3.216 395 3HG2 VAL 49 3HG2 VAL 49 -4.189 14.004 -3.995 396 H VAL 50 H VAL 50 -5.417 14.070 -0.206 397 HA VAL 50 HA VAL 50 -6.400 16.543 -1.220 398 HB VAL 50 HB VAL 50 -7.714 14.783 0.848 399 1HG1 VAL 50 1HG1 VAL 50 -9.273 16.255 -1.178 400 2HG1 VAL 50 2HG1 VAL 50 -8.490 17.233 0.063 401 3HG1 VAL 50 3HG1 VAL 50 -9.617 15.958 0.526 402 1HG2 VAL 50 1HG2 VAL 50 -8.790 13.627 -0.977 403 2HG2 VAL 50 2HG2 VAL 50 -7.044 13.494 -1.144 404 3HG2 VAL 50 3HG2 VAL 50 -7.943 14.625 -2.153 405 H GLY 51 H GLY 51 -5.497 15.407 2.002 406 1HA GLY 51 2HA GLY 51 -6.353 17.695 3.421 407 2HA GLY 51 1HA GLY 51 -5.191 16.510 3.990 408 H ARG 52 H ARG 52 -3.047 16.722 2.532 409 HA ARG 52 HA ARG 52 -2.007 19.309 3.231 410 1HB ARG 52 2HB ARG 52 -0.890 16.717 2.332 411 2HB ARG 52 1HB ARG 52 0.053 18.147 1.951 412 1HG ARG 52 2HG ARG 52 -0.687 18.437 4.629 413 2HG ARG 52 1HG ARG 52 -0.230 16.743 4.442 414 1HD ARG 52 2HD ARG 52 1.900 17.363 4.558 415 2HD ARG 52 1HD ARG 52 1.691 18.206 3.026 416 HE ARG 52 HE ARG 52 1.049 19.568 5.544 417 1HH1 ARG 52 1HH1 ARG 52 3.015 19.330 2.661 418 2HH1 ARG 52 2HH1 ARG 52 3.714 20.898 2.865 419 1HH2 ARG 52 1HH2 ARG 52 1.973 21.625 5.805 420 2HH2 ARG 52 2HH2 ARG 52 3.127 22.200 4.646 421 H MET 53 H MET 53 -3.274 17.848 0.379 422 HA MET 53 HA MET 53 -3.563 18.632 -1.744 423 1HB MET 53 2HB MET 53 -3.138 21.062 -0.142 424 2HB MET 53 1HB MET 53 -2.738 21.248 -1.845 425 1HG MET 53 2HG MET 53 -5.106 20.027 -2.082 426 2HG MET 53 1HG MET 53 -5.350 20.837 -0.537 427 1HE MET 53 1HE MET 53 -5.187 21.206 -4.385 428 2HE MET 53 2HE MET 53 -6.254 22.611 -4.408 429 3HE MET 53 3HE MET 53 -6.741 21.148 -3.552 430 H LEU 54 H LEU 54 -1.158 17.381 -0.914 431 HA LEU 54 HA LEU 54 1.245 18.430 -1.567 432 1HB LEU 54 2HB LEU 54 0.613 16.046 -0.857 433 2HB LEU 54 1HB LEU 54 0.488 15.706 -2.571 434 HG LEU 54 HG LEU 54 2.839 16.321 -2.877 435 1HD1 LEU 54 1HD1 LEU 54 3.383 17.911 -1.307 436 2HD1 LEU 54 2HD1 LEU 54 4.152 16.475 -0.632 437 3HD1 LEU 54 3HD1 LEU 54 2.606 17.031 0.009 438 1HD2 LEU 54 1HD2 LEU 54 3.282 14.179 -2.507 439 2HD2 LEU 54 2HD2 LEU 54 1.839 14.058 -1.499 440 3HD2 LEU 54 3HD2 LEU 54 3.389 14.485 -0.773 441 HA PRO 55 HA PRO 55 0.701 17.288 -6.321 442 1HB PRO 55 2HB PRO 55 -1.979 17.584 -7.063 443 2HB PRO 55 1HB PRO 55 -1.101 16.059 -6.911 444 1HG PRO 55 2HG PRO 55 -2.940 17.391 -4.980 445 2HG PRO 55 1HG PRO 55 -2.721 15.665 -5.323 446 1HD PRO 55 2HD PRO 55 -1.711 16.783 -3.113 447 2HD PRO 55 1HD PRO 55 -0.832 15.513 -3.987 448 H ILE 56 H ILE 56 1.715 19.304 -6.363 449 HA ILE 56 HA ILE 56 1.976 21.466 -7.022 450 HB ILE 56 HB ILE 56 -0.897 21.350 -7.936 451 1HG1 ILE 56 2HG1 ILE 56 1.515 20.734 -9.635 452 2HG1 ILE 56 1HG1 ILE 56 0.650 19.473 -8.765 453 1HG2 ILE 56 1HG2 ILE 56 -0.111 23.580 -7.989 454 2HG2 ILE 56 2HG2 ILE 56 -0.018 22.983 -9.646 455 3HG2 ILE 56 3HG2 ILE 56 1.444 23.093 -8.665 456 1HD1 ILE 56 1HD1 ILE 56 -1.372 19.973 -9.981 457 2HD1 ILE 56 2HD1 ILE 56 -0.049 19.663 -11.105 458 3HD1 ILE 56 3HD1 ILE 56 -0.577 21.318 -10.798 459 H GLN 57 H GLN 57 1.371 23.680 -6.555 460 HA GLN 57 HA GLN 57 0.634 25.383 -5.260 461 1HB GLN 57 2HB GLN 57 -1.554 23.402 -4.693 462 2HB GLN 57 1HB GLN 57 -1.491 24.954 -3.872 463 1HG GLN 57 2HG GLN 57 -1.459 26.049 -6.112 464 2HG GLN 57 1HG GLN 57 -1.736 24.461 -6.828 465 1HE2 GLN 57 1HE2 GLN 57 -3.564 26.095 -7.529 466 2HE2 GLN 57 2HE2 GLN 57 -5.028 25.939 -6.625 467 H GLU 58 H GLU 58 -0.350 22.773 -3.083 468 HA GLU 58 HA GLU 58 0.519 22.020 -1.109 469 1HB GLU 58 2HB GLU 58 2.823 23.764 -1.925 470 2HB GLU 58 1HB GLU 58 2.737 23.111 -0.299 471 1HG GLU 58 2HG GLU 58 2.878 20.898 -1.060 472 2HG GLU 58 1HG GLU 58 2.527 21.363 -2.725 473 H ASN 59 H ASN 59 1.727 25.358 -0.937 474 HA ASN 59 HA ASN 59 -0.537 26.188 0.659 475 1HB ASN 59 2HB ASN 59 0.986 25.002 2.266 476 2HB ASN 59 1HB ASN 59 2.214 26.214 1.912 477 1HD2 ASN 59 1HD2 ASN 59 -1.282 26.584 2.335 478 2HD2 ASN 59 2HD2 ASN 59 -1.178 27.660 3.682 479 H GLN 60 H GLN 60 2.727 26.969 -0.478 480 HA GLN 60 HA GLN 60 1.765 29.574 -1.347 481 1HB GLN 60 2HB GLN 60 3.752 29.141 0.834 482 2HB GLN 60 1HB GLN 60 4.043 30.466 -0.277 483 1HG GLN 60 2HG GLN 60 1.550 31.053 0.256 484 2HG GLN 60 1HG GLN 60 1.873 30.111 1.712 485 1HE2 GLN 60 1HE2 GLN 60 1.695 31.911 3.042 486 2HE2 GLN 60 2HE2 GLN 60 2.909 33.138 3.101 487 H ALA 61 H ALA 61 4.962 30.021 -1.379 488 HA ALA 61 HA ALA 61 5.809 28.224 -3.421 489 1HB ALA 61 1HB ALA 61 5.549 31.058 -4.350 490 2HB ALA 61 2HB ALA 61 4.217 29.919 -4.546 491 3HB ALA 61 3HB ALA 61 5.776 29.590 -5.301 492 HA PRO 62 HA PRO 62 9.555 29.414 -1.272 493 1HB PRO 62 2HB PRO 62 10.731 28.312 -3.787 494 2HB PRO 62 1HB PRO 62 11.160 27.980 -2.103 495 1HG PRO 62 2HG PRO 62 9.739 26.217 -3.486 496 2HG PRO 62 1HG PRO 62 9.346 26.554 -1.788 497 1HD PRO 62 2HD PRO 62 7.955 27.456 -4.274 498 2HD PRO 62 1HD PRO 62 7.272 26.996 -2.701 499 H ALA 63 H ALA 63 8.523 30.502 -4.384 500 HA ALA 63 HA ALA 63 10.681 32.155 -5.086 501 1HB ALA 63 1HB ALA 63 8.431 31.432 -6.337 502 2HB ALA 63 2HB ALA 63 9.388 32.835 -6.817 503 3HB ALA 63 3HB ALA 63 7.957 33.047 -5.808 504 HA PRO 64 HA PRO 64 10.808 35.533 -2.253 505 1HB PRO 64 2HB PRO 64 10.620 37.181 -4.748 506 2HB PRO 64 1HB PRO 64 11.721 37.346 -3.374 507 1HG PRO 64 2HG PRO 64 12.539 36.222 -5.648 508 2HG PRO 64 1HG PRO 64 13.074 35.600 -4.076 509 1HD PRO 64 2HD PRO 64 11.146 34.443 -6.009 510 2HD PRO 64 1HD PRO 64 12.178 33.630 -4.817 511 H ASN 65 H ASN 65 8.415 35.515 -4.838 512 HA ASN 65 HA ASN 65 6.226 36.133 -4.896 513 1HB ASN 65 2HB ASN 65 6.740 35.579 -2.088 514 2HB ASN 65 1HB ASN 65 5.505 36.817 -2.287 515 1HD2 ASN 65 1HD2 ASN 65 6.273 33.502 -2.546 516 2HD2 ASN 65 2HD2 ASN 65 4.728 32.950 -3.087 517 H ILE 66 H ILE 66 7.215 38.123 -2.122 518 HA ILE 66 HA ILE 66 7.494 40.377 -1.884 519 HB ILE 66 HB ILE 66 7.198 40.624 -4.880 520 1HG1 ILE 66 2HG1 ILE 66 9.886 40.956 -4.178 521 2HG1 ILE 66 1HG1 ILE 66 9.359 39.542 -3.270 522 1HG2 ILE 66 1HG2 ILE 66 7.126 42.596 -3.020 523 2HG2 ILE 66 2HG2 ILE 66 7.692 42.805 -4.678 524 3HG2 ILE 66 3HG2 ILE 66 8.851 42.527 -3.377 525 1HD1 ILE 66 1HD1 ILE 66 8.850 38.349 -5.199 526 2HD1 ILE 66 2HD1 ILE 66 10.349 39.188 -5.593 527 3HD1 ILE 66 3HD1 ILE 66 8.810 39.800 -6.198 528 H THR 67 H THR 67 5.103 39.696 -4.447 529 HA THR 67 HA THR 67 2.893 40.458 -2.891 530 HB THR 67 HB THR 67 3.726 42.711 -3.063 531 HG1 THR 67 1HG THR 67 1.445 42.335 -3.423 532 1HG2 THR 67 1HG2 THR 67 4.652 43.675 -4.846 533 2HG2 THR 67 2HG2 THR 67 3.463 42.994 -5.956 534 3HG2 THR 67 3HG2 THR 67 4.842 42.025 -5.440 535 H GLY 68 H GLY 68 3.378 38.285 -4.462 536 1HA GLY 68 2HA GLY 68 1.790 37.093 -5.778 537 2HA GLY 68 1HA GLY 68 1.314 38.609 -6.523 538 H ALA 69 H ALA 69 1.955 38.875 -8.544 539 HA ALA 69 HA ALA 69 4.573 38.433 -9.467 540 1HB ALA 69 1HB ALA 69 4.376 36.148 -9.507 541 2HB ALA 69 2HB ALA 69 3.800 36.549 -11.126 542 3HB ALA 69 3HB ALA 69 2.644 36.193 -9.842 543 H LEU 70 H LEU 70 1.186 38.235 -10.568 544 HA LEU 70 HA LEU 70 1.325 40.632 -12.040 545 1HB LEU 70 2HB LEU 70 1.270 39.801 -14.310 546 2HB LEU 70 1HB LEU 70 2.752 39.303 -13.517 547 HG LEU 70 HG LEU 70 0.621 37.304 -13.326 548 1HD1 LEU 70 1HD1 LEU 70 1.326 36.713 -15.842 549 2HD1 LEU 70 2HD1 LEU 70 1.334 38.474 -15.939 550 3HD1 LEU 70 3HD1 LEU 70 -0.126 37.627 -15.431 551 1HD2 LEU 70 1HD2 LEU 70 3.121 36.646 -14.682 552 2HD2 LEU 70 2HD2 LEU 70 2.367 35.912 -13.266 553 3HD2 LEU 70 3HD2 LEU 70 3.345 37.370 -13.089 554 H GLU 71 H GLU 71 -0.659 41.256 -11.476 555 HA GLU 71 HA GLU 71 -2.853 39.493 -11.156 556 1HB GLU 71 2HB GLU 71 -4.190 41.663 -11.098 557 2HB GLU 71 1HB GLU 71 -2.935 41.470 -9.883 558 1HG GLU 71 2HG GLU 71 -1.785 43.230 -10.621 559 2HG GLU 71 1HG GLU 71 -2.003 42.783 -12.312 560 H HIS 72 H HIS 72 -1.816 41.601 -13.791 561 HA HIS 72 HA HIS 72 -3.189 40.067 -15.736 562 1HB HIS 72 2HB HIS 72 -4.963 41.624 -14.504 563 2HB HIS 72 1HB HIS 72 -4.332 42.821 -15.631 564 HD1 HIS 72 1HD HIS 72 -6.417 42.955 -17.077 565 HD2 HIS 72 2HD HIS 72 -4.913 39.099 -16.722 566 HE1 HIS 72 1HE HIS 72 -7.669 41.588 -18.775 567 HE2 HIS 72 2HE HIS 72 -6.672 39.279 -18.609 568 H HIS 73 H HIS 73 -0.574 40.847 -15.494 569 HA HIS 73 HA HIS 73 1.156 41.740 -16.666 570 1HB HIS 73 2HB HIS 73 -0.999 42.124 -18.755 571 2HB HIS 73 1HB HIS 73 0.723 42.337 -19.049 572 HD1 HIS 73 1HD HIS 73 -1.036 39.500 -17.223 573 HD2 HIS 73 2HD HIS 73 1.356 40.172 -20.554 574 HE1 HIS 73 1HE HIS 73 -0.500 37.221 -18.135 575 HE2 HIS 73 2HE HIS 73 0.952 37.649 -20.148 576 H HIS 74 H HIS 74 1.878 43.534 -15.686 577 HA HIS 74 HA HIS 74 0.554 46.080 -16.357 578 1HB HIS 74 2HB HIS 74 1.249 46.928 -14.138 579 2HB HIS 74 1HB HIS 74 0.137 45.570 -14.016 580 HD1 HIS 74 1HD HIS 74 1.029 43.400 -12.976 581 HD2 HIS 74 2HD HIS 74 3.873 46.415 -13.258 582 HE1 HIS 74 1HE HIS 74 2.974 42.620 -11.586 583 HE2 HIS 74 2HE HIS 74 4.719 44.418 -11.849 584 H HIS 75 H HIS 75 2.127 47.979 -15.859 585 HA HIS 75 HA HIS 75 4.916 47.371 -16.342 586 1HB HIS 75 2HB HIS 75 3.213 47.895 -18.534 587 2HB HIS 75 1HB HIS 75 4.169 49.355 -18.293 588 HD1 HIS 75 1HD HIS 75 4.359 47.028 -20.601 589 HD2 HIS 75 2HD HIS 75 7.009 47.819 -17.501 590 HE1 HIS 75 1HE HIS 75 6.563 46.070 -21.341 591 HE2 HIS 75 2HE HIS 75 8.170 46.628 -19.482 592 H HIS 76 H HIS 76 5.645 48.488 -14.631 593 HA HIS 76 HA HIS 76 4.575 51.090 -13.959 594 1HB HIS 76 2HB HIS 76 6.410 49.135 -12.695 595 2HB HIS 76 1HB HIS 76 6.677 50.828 -12.294 596 HD1 HIS 76 1HD HIS 76 3.438 48.854 -12.665 597 HD2 HIS 76 2HD HIS 76 5.478 51.198 -9.904 598 HE1 HIS 76 1HE HIS 76 1.897 49.056 -10.686 599 HE2 HIS 76 2HE HIS 76 3.164 50.456 -9.017 600 H HIS 77 H HIS 77 7.295 49.793 -15.676 601 HA HIS 77 HA HIS 77 8.944 50.778 -16.895 602 1HB HIS 77 2HB HIS 77 6.899 52.886 -16.674 603 2HB HIS 77 1HB HIS 77 8.524 53.475 -17.009 604 HD1 HIS 77 1HD HIS 77 9.696 52.075 -19.129 605 HD2 HIS 77 2HD HIS 77 5.550 52.234 -18.915 606 HE1 HIS 77 1HE HIS 77 8.882 51.534 -21.446 607 HE2 HIS 77 2HE HIS 77 6.374 51.734 -21.314 Start of MODEL 2 1 1H ALA 1 1HT ALA 1 -10.105 -51.561 11.922 2 2H ALA 1 2HT ALA 1 -8.999 -52.579 11.095 3 3H ALA 1 3HT ALA 1 -10.357 -51.931 10.268 4 HA ALA 1 HA ALA 1 -9.512 -49.738 10.528 5 1HB ALA 1 1HB ALA 1 -8.332 -49.825 12.558 6 2HB ALA 1 2HB ALA 1 -7.103 -49.556 11.321 7 3HB ALA 1 3HB ALA 1 -7.324 -51.164 12.009 8 H ASP 2 H ASP 2 -7.489 -48.916 9.279 9 HA ASP 2 HA ASP 2 -7.459 -50.269 6.782 10 1HB ASP 2 2HB ASP 2 -5.756 -47.989 7.815 11 2HB ASP 2 1HB ASP 2 -5.781 -48.538 6.141 12 H LYS 3 H LYS 3 -5.126 -49.977 9.421 13 HA LYS 3 HA LYS 3 -3.256 -51.148 9.945 14 1HB LYS 3 2HB LYS 3 -4.347 -53.198 8.004 15 2HB LYS 3 1HB LYS 3 -3.098 -53.476 9.211 16 1HG LYS 3 2HG LYS 3 -4.633 -53.963 10.725 17 2HG LYS 3 1HG LYS 3 -5.392 -52.386 10.502 18 1HD LYS 3 2HD LYS 3 -7.131 -53.780 9.946 19 2HD LYS 3 1HD LYS 3 -6.399 -53.522 8.361 20 1HE LYS 3 2HE LYS 3 -5.687 -55.658 8.197 21 2HE LYS 3 1HE LYS 3 -5.302 -55.769 9.914 22 1HZ LYS 3 1HZ LYS 3 -7.171 -57.211 9.158 23 2HZ LYS 3 2HZ LYS 3 -8.073 -55.811 8.857 24 3HZ LYS 3 3HZ LYS 3 -7.569 -56.168 10.433 25 H THR 4 H THR 4 -3.372 -52.449 6.649 26 HA THR 4 HA THR 4 -0.706 -51.542 6.150 27 HB THR 4 HB THR 4 -2.351 -52.483 3.875 28 HG1 THR 4 1HG THR 4 -2.193 -54.660 4.735 29 1HG2 THR 4 1HG2 THR 4 -0.429 -53.320 3.119 30 2HG2 THR 4 2HG2 THR 4 -0.004 -54.013 4.683 31 3HG2 THR 4 3HG2 THR 4 0.328 -52.313 4.353 32 H ILE 5 H ILE 5 -0.887 -50.855 3.400 33 HA ILE 5 HA ILE 5 -0.771 -48.859 2.268 34 HB ILE 5 HB ILE 5 -2.969 -49.856 1.644 35 1HG1 ILE 5 2HG1 ILE 5 -3.604 -47.002 1.506 36 2HG1 ILE 5 1HG1 ILE 5 -1.939 -47.364 1.063 37 1HG2 ILE 5 1HG2 ILE 5 -3.819 -48.436 4.057 38 2HG2 ILE 5 2HG2 ILE 5 -4.540 -49.819 3.239 39 3HG2 ILE 5 3HG2 ILE 5 -4.865 -48.184 2.662 40 1HD1 ILE 5 1HD1 ILE 5 -4.276 -47.640 -0.494 41 2HD1 ILE 5 2HD1 ILE 5 -3.625 -49.254 -0.213 42 3HD1 ILE 5 3HD1 ILE 5 -2.610 -48.008 -0.938 43 H PHE 6 H PHE 6 -0.219 -48.531 5.072 44 HA PHE 6 HA PHE 6 -1.538 -46.075 5.848 45 1HB PHE 6 2HB PHE 6 -0.161 -46.237 7.900 46 2HB PHE 6 1HB PHE 6 -1.112 -47.685 7.600 47 HD1 PHE 6 1HD PHE 6 0.045 -49.713 6.649 48 HD2 PHE 6 2HD PHE 6 2.164 -46.326 8.107 49 HE1 PHE 6 1HE PHE 6 2.083 -51.079 6.845 50 HE2 PHE 6 2HE PHE 6 4.206 -47.684 8.303 51 HZ PHE 6 HZ PHE 6 4.168 -50.063 7.672 52 H ASN 7 H ASN 7 1.891 -47.023 5.414 53 HA ASN 7 HA ASN 7 3.632 -45.893 4.469 54 1HB ASN 7 2HB ASN 7 1.491 -44.774 3.157 55 2HB ASN 7 1HB ASN 7 2.258 -43.367 3.883 56 1HD2 ASN 7 1HD2 ASN 7 3.604 -46.372 2.571 57 2HD2 ASN 7 2HD2 ASN 7 4.620 -45.608 1.401 58 H ASP 8 H ASP 8 1.478 -43.706 6.272 59 HA ASP 8 HA ASP 8 1.850 -42.605 8.251 60 1HB ASP 8 2HB ASP 8 4.775 -43.323 7.929 61 2HB ASP 8 1HB ASP 8 4.054 -42.537 9.325 62 H HIS 9 H HIS 9 1.359 -40.596 7.772 63 HA HIS 9 HA HIS 9 1.738 -38.361 7.464 64 1HB HIS 9 2HB HIS 9 4.437 -39.347 7.354 65 2HB HIS 9 1HB HIS 9 4.203 -38.131 6.105 66 HD1 HIS 9 1HD HIS 9 6.070 -37.140 8.019 67 HD2 HIS 9 2HD HIS 9 2.002 -36.984 8.848 68 HE1 HIS 9 1HE HIS 9 5.815 -35.392 9.808 69 HE2 HIS 9 2HE HIS 9 3.362 -35.403 10.377 70 H LEU 10 H LEU 10 2.223 -40.754 5.030 71 HA LEU 10 HA LEU 10 1.319 -40.887 2.934 72 1HB LEU 10 2HB LEU 10 0.020 -38.608 3.936 73 2HB LEU 10 1HB LEU 10 0.679 -38.123 2.386 74 HG LEU 10 HG LEU 10 -1.650 -38.941 2.249 75 1HD1 LEU 10 1HD1 LEU 10 0.590 -39.826 0.672 76 2HD1 LEU 10 2HD1 LEU 10 -1.025 -39.337 0.162 77 3HD1 LEU 10 3HD1 LEU 10 -0.718 -41.009 0.634 78 1HD2 LEU 10 1HD2 LEU 10 -1.416 -40.633 4.066 79 2HD2 LEU 10 2HD2 LEU 10 -0.510 -41.643 2.937 80 3HD2 LEU 10 3HD2 LEU 10 -2.195 -41.238 2.604 81 H ASN 11 H ASN 11 3.843 -38.916 3.940 82 HA ASN 11 HA ASN 11 5.738 -38.153 2.945 83 1HB ASN 11 2HB ASN 11 5.510 -40.577 1.999 84 2HB ASN 11 1HB ASN 11 5.094 -39.761 0.495 85 1HD2 ASN 11 1HD2 ASN 11 7.587 -40.485 2.765 86 2HD2 ASN 11 2HD2 ASN 11 8.907 -39.874 1.832 87 H THR 12 H THR 12 6.482 -36.576 1.504 88 HA THR 12 HA THR 12 6.370 -34.806 0.104 89 HB THR 12 HB THR 12 5.333 -36.814 -1.353 90 HG1 THR 12 1HG THR 12 6.456 -34.599 -1.859 91 1HG2 THR 12 1HG2 THR 12 3.350 -36.008 -2.548 92 2HG2 THR 12 2HG2 THR 12 3.172 -34.717 -1.361 93 3HG2 THR 12 3HG2 THR 12 3.003 -36.398 -0.867 94 H ASN 13 H ASN 13 3.661 -35.655 2.019 95 HA ASN 13 HA ASN 13 1.820 -34.508 2.759 96 1HB ASN 13 2HB ASN 13 4.201 -32.733 3.079 97 2HB ASN 13 1HB ASN 13 2.614 -32.107 3.512 98 1HD2 ASN 13 1HD2 ASN 13 4.411 -35.142 3.908 99 2HD2 ASN 13 2HD2 ASN 13 4.062 -35.328 5.589 100 HA PRO 14 HA PRO 14 0.931 -32.136 -1.120 101 1HB PRO 14 2HB PRO 14 -1.031 -33.674 -2.097 102 2HB PRO 14 1HB PRO 14 0.671 -34.089 -2.328 103 1HG PRO 14 2HG PRO 14 -1.310 -35.216 -0.399 104 2HG PRO 14 1HG PRO 14 -0.044 -36.045 -1.320 105 1HD PRO 14 2HD PRO 14 0.157 -35.289 1.340 106 2HD PRO 14 1HD PRO 14 1.532 -35.626 0.270 107 H LYS 15 H LYS 15 -1.530 -33.765 0.888 108 HA LYS 15 HA LYS 15 -3.580 -31.904 0.442 109 1HB LYS 15 2HB LYS 15 -3.714 -34.256 1.468 110 2HB LYS 15 1HB LYS 15 -3.285 -33.481 2.987 111 1HG LYS 15 2HG LYS 15 -5.278 -31.913 2.467 112 2HG LYS 15 1HG LYS 15 -5.770 -33.193 1.357 113 1HD LYS 15 2HD LYS 15 -5.590 -34.794 3.283 114 2HD LYS 15 1HD LYS 15 -5.359 -33.395 4.335 115 1HE LYS 15 2HE LYS 15 -7.517 -32.595 3.944 116 2HE LYS 15 1HE LYS 15 -7.715 -33.573 2.490 117 1HZ LYS 15 1HZ LYS 15 -8.082 -34.303 5.284 118 2HZ LYS 15 2HZ LYS 15 -7.389 -35.484 4.290 119 3HZ LYS 15 3HZ LYS 15 -8.905 -34.839 3.906 120 H THR 16 H THR 16 -1.065 -32.053 2.924 121 HA THR 16 HA THR 16 -2.085 -29.872 4.442 122 HB THR 16 HB THR 16 0.505 -29.909 5.165 123 HG1 THR 16 1HG THR 16 1.243 -32.063 4.962 124 1HG2 THR 16 1HG2 THR 16 -0.017 -31.424 6.904 125 2HG2 THR 16 2HG2 THR 16 -1.327 -32.145 5.970 126 3HG2 THR 16 3HG2 THR 16 -1.479 -30.495 6.571 127 H ASN 17 H ASN 17 0.422 -30.147 1.946 128 HA ASN 17 HA ASN 17 1.289 -27.468 2.082 129 1HB ASN 17 2HB ASN 17 2.496 -29.374 0.953 130 2HB ASN 17 1HB ASN 17 1.343 -29.231 -0.371 131 1HD2 ASN 17 1HD2 ASN 17 1.203 -27.094 -1.410 132 2HD2 ASN 17 2HD2 ASN 17 2.656 -26.175 -1.582 133 H LEU 18 H LEU 18 -1.021 -29.061 -0.104 134 HA LEU 18 HA LEU 18 -1.719 -26.804 -1.598 135 1HB LEU 18 2HB LEU 18 -2.324 -29.389 -1.793 136 2HB LEU 18 1HB LEU 18 -3.795 -28.850 -1.004 137 HG LEU 18 HG LEU 18 -2.769 -27.587 -3.539 138 1HD1 LEU 18 1HD1 LEU 18 -3.244 -30.105 -3.673 139 2HD1 LEU 18 2HD1 LEU 18 -4.039 -29.044 -4.838 140 3HD1 LEU 18 3HD1 LEU 18 -4.935 -29.655 -3.446 141 1HD2 LEU 18 1HD2 LEU 18 -4.494 -26.211 -3.296 142 2HD2 LEU 18 2HD2 LEU 18 -4.847 -26.952 -1.735 143 3HD2 LEU 18 3HD2 LEU 18 -5.605 -27.578 -3.199 144 H ARG 19 H ARG 19 -3.299 -28.196 1.271 145 HA ARG 19 HA ARG 19 -5.355 -26.297 1.454 146 1HB ARG 19 2HB ARG 19 -5.187 -28.527 2.658 147 2HB ARG 19 1HB ARG 19 -4.110 -27.732 3.798 148 1HG ARG 19 2HG ARG 19 -6.364 -27.820 4.671 149 2HG ARG 19 1HG ARG 19 -5.885 -26.149 4.372 150 1HD ARG 19 2HD ARG 19 -7.084 -27.149 2.003 151 2HD ARG 19 1HD ARG 19 -8.130 -27.567 3.359 152 HE ARG 19 HE ARG 19 -7.192 -24.811 2.909 153 1HH1 ARG 19 1HH1 ARG 19 -9.788 -27.088 3.480 154 2HH1 ARG 19 2HH1 ARG 19 -10.986 -25.854 3.663 155 1HH2 ARG 19 1HH2 ARG 19 -8.779 -23.201 3.147 156 2HH2 ARG 19 2HH2 ARG 19 -10.417 -23.656 3.472 157 H LEU 20 H LEU 20 -2.214 -26.439 3.135 158 HA LEU 20 HA LEU 20 -2.523 -24.071 4.595 159 1HB LEU 20 2HB LEU 20 -0.659 -25.978 4.584 160 2HB LEU 20 1HB LEU 20 0.183 -24.793 3.604 161 HG LEU 20 HG LEU 20 -0.415 -23.161 5.563 162 1HD1 LEU 20 1HD1 LEU 20 -1.082 -25.818 6.642 163 2HD1 LEU 20 2HD1 LEU 20 -1.665 -24.220 7.108 164 3HD1 LEU 20 3HD1 LEU 20 -0.098 -24.791 7.683 165 1HD2 LEU 20 1HD2 LEU 20 1.662 -24.755 6.677 166 2HD2 LEU 20 2HD2 LEU 20 1.792 -23.250 5.769 167 3HD2 LEU 20 3HD2 LEU 20 1.812 -24.796 4.920 168 H TRP 21 H TRP 21 -1.287 -24.644 1.336 169 HA TRP 21 HA TRP 21 -0.300 -22.073 0.838 170 1HB TRP 21 2HB TRP 21 -0.732 -24.467 -0.657 171 2HB TRP 21 1HB TRP 21 -1.376 -23.117 -1.583 172 HD1 TRP 21 HD TRP 21 0.329 -21.829 -2.993 173 HE1 TRP 21 1HE TRP 21 2.897 -21.672 -3.086 174 HE3 TRP 21 3HE TRP 21 1.462 -24.657 1.109 175 HZ2 TRP 21 2HZ TRP 21 5.110 -22.625 -1.615 176 HZ3 TRP 21 3HZ TRP 21 3.828 -24.987 1.700 177 HH2 TRP 21 HH TRP 21 5.612 -23.991 0.365 178 H VAL 22 H VAL 22 -3.427 -23.450 -0.209 179 HA VAL 22 HA VAL 22 -4.491 -21.054 -1.179 180 HB VAL 22 HB VAL 22 -6.099 -23.315 0.004 181 1HG1 VAL 22 1HG1 VAL 22 -7.806 -22.618 -1.581 182 2HG1 VAL 22 2HG1 VAL 22 -6.747 -21.343 -2.186 183 3HG1 VAL 22 3HG1 VAL 22 -7.354 -21.274 -0.532 184 1HG2 VAL 22 1HG2 VAL 22 -4.403 -23.216 -2.380 185 2HG2 VAL 22 2HG2 VAL 22 -6.052 -23.757 -2.691 186 3HG2 VAL 22 3HG2 VAL 22 -5.056 -24.602 -1.507 187 H ALA 23 H ALA 23 -4.857 -22.571 2.015 188 HA ALA 23 HA ALA 23 -6.638 -20.712 3.103 189 1HB ALA 23 1HB ALA 23 -5.658 -23.022 3.977 190 2HB ALA 23 2HB ALA 23 -6.391 -21.834 5.055 191 3HB ALA 23 3HB ALA 23 -4.634 -21.930 4.911 192 H PHE 24 H PHE 24 -3.085 -20.843 3.513 193 HA PHE 24 HA PHE 24 -2.893 -18.450 4.969 194 1HB PHE 24 2HB PHE 24 -1.074 -20.369 3.826 195 2HB PHE 24 1HB PHE 24 -0.483 -18.739 3.541 196 HD1 PHE 24 2HD PHE 24 -1.366 -21.215 6.097 197 HD2 PHE 24 1HD PHE 24 0.271 -17.361 5.340 198 HE1 PHE 24 2HE PHE 24 -0.505 -21.133 8.401 199 HE2 PHE 24 1HE PHE 24 1.138 -17.273 7.641 200 HZ PHE 24 HZ PHE 24 0.750 -19.159 9.176 201 H GLN 25 H GLN 25 -2.693 -19.076 1.494 202 HA GLN 25 HA GLN 25 -1.895 -16.497 0.715 203 1HB GLN 25 2HB GLN 25 -2.181 -18.809 -0.599 204 2HB GLN 25 1HB GLN 25 -3.678 -18.033 -1.093 205 1HG GLN 25 2HG GLN 25 -2.621 -16.709 -2.523 206 2HG GLN 25 1HG GLN 25 -1.413 -16.249 -1.324 207 1HE2 GLN 25 1HE2 GLN 25 0.403 -17.670 -1.016 208 2HE2 GLN 25 2HE2 GLN 25 0.964 -18.642 -2.329 209 H MET 26 H MET 26 -5.162 -17.942 0.706 210 HA MET 26 HA MET 26 -6.458 -15.539 -0.027 211 1HB MET 26 2HB MET 26 -7.192 -18.234 0.404 212 2HB MET 26 1HB MET 26 -8.226 -17.258 1.438 213 1HG MET 26 2HG MET 26 -8.985 -15.972 -0.442 214 2HG MET 26 1HG MET 26 -7.842 -16.788 -1.508 215 1HE MET 26 1HE MET 26 -10.754 -18.554 -3.094 216 2HE MET 26 2HE MET 26 -9.225 -17.692 -3.270 217 3HE MET 26 3HE MET 26 -10.661 -16.833 -2.716 218 H MET 27 H MET 27 -6.201 -17.173 3.132 219 HA MET 27 HA MET 27 -7.592 -15.178 4.563 220 1HB MET 27 2HB MET 27 -6.744 -17.685 5.143 221 2HB MET 27 1HB MET 27 -5.571 -16.737 6.045 222 1HG MET 27 2HG MET 27 -8.465 -16.092 6.309 223 2HG MET 27 1HG MET 27 -7.819 -17.505 7.137 224 1HE MET 27 1HE MET 27 -8.043 -13.459 8.690 225 2HE MET 27 2HE MET 27 -9.034 -14.871 9.050 226 3HE MET 27 3HE MET 27 -8.910 -14.280 7.393 227 H LYS 28 H LYS 28 -4.106 -15.936 4.773 228 HA LYS 28 HA LYS 28 -3.459 -13.543 6.107 229 1HB LYS 28 2HB LYS 28 -2.117 -15.884 5.384 230 2HB LYS 28 1HB LYS 28 -1.237 -14.595 4.573 231 1HG LYS 28 2HG LYS 28 -0.150 -14.324 6.490 232 2HG LYS 28 1HG LYS 28 -1.631 -13.586 7.103 233 1HD LYS 28 2HD LYS 28 -1.387 -16.551 7.187 234 2HD LYS 28 1HD LYS 28 -0.467 -15.602 8.356 235 1HE LYS 28 2HE LYS 28 -2.322 -15.595 9.598 236 2HE LYS 28 1HE LYS 28 -2.970 -14.448 8.426 237 1HZ LYS 28 1HZ LYS 28 -4.145 -16.754 9.037 238 2HZ LYS 28 2HZ LYS 28 -3.212 -17.253 7.716 239 3HZ LYS 28 3HZ LYS 28 -4.323 -15.989 7.538 240 H GLY 29 H GLY 29 -3.454 -14.395 2.678 241 1HA GLY 29 2HA GLY 29 -2.100 -12.124 1.724 242 2HA GLY 29 1HA GLY 29 -3.234 -13.089 0.796 243 H ALA 30 H ALA 30 -5.616 -12.683 1.477 244 HA ALA 30 HA ALA 30 -6.252 -10.037 0.847 245 1HB ALA 30 1HB ALA 30 -8.571 -10.695 1.694 246 2HB ALA 30 2HB ALA 30 -7.868 -12.279 2.020 247 3HB ALA 30 3HB ALA 30 -7.890 -11.647 0.375 248 H GLY 31 H GLY 31 -6.003 -11.675 3.960 249 1HA GLY 31 2HA GLY 31 -7.067 -9.594 5.541 250 2HA GLY 31 1HA GLY 31 -6.013 -10.878 6.110 251 H TRP 32 H TRP 32 -3.685 -10.591 5.759 252 HA TRP 32 HA TRP 32 -2.761 -8.198 6.815 253 1HB TRP 32 2HB TRP 32 -1.619 -10.507 6.699 254 2HB TRP 32 1HB TRP 32 -1.010 -9.965 5.138 255 HD1 TRP 32 HD TRP 32 -0.713 -9.217 8.886 256 HE1 TRP 32 1HE TRP 32 1.420 -7.833 9.279 257 HE3 TRP 32 3HE TRP 32 0.615 -8.374 4.022 258 HZ2 TRP 32 2HZ TRP 32 3.404 -6.551 7.732 259 HZ3 TRP 32 3HZ TRP 32 2.644 -7.059 3.565 260 HH2 TRP 32 HH TRP 32 4.009 -6.167 5.382 261 H ALA 33 H ALA 33 -1.961 -9.326 3.509 262 HA ALA 33 HA ALA 33 -0.905 -6.922 2.634 263 1HB ALA 33 1HB ALA 33 -0.486 -8.810 1.303 264 2HB ALA 33 2HB ALA 33 -1.496 -7.759 0.309 265 3HB ALA 33 3HB ALA 33 -2.202 -9.161 1.110 266 H GLY 34 H GLY 34 -4.266 -7.995 2.673 267 1HA GLY 34 2HA GLY 34 -5.332 -5.925 1.097 268 2HA GLY 34 1HA GLY 34 -6.214 -6.829 2.318 269 H GLY 35 H GLY 35 -5.027 -6.179 4.636 270 1HA GLY 35 2HA GLY 35 -6.077 -3.627 5.205 271 2HA GLY 35 1HA GLY 35 -5.053 -4.571 6.274 272 H VAL 36 H VAL 36 -2.662 -4.653 5.291 273 HA VAL 36 HA VAL 36 -1.609 -2.092 5.674 274 HB VAL 36 HB VAL 36 -0.186 -4.342 4.262 275 1HG1 VAL 36 1HG1 VAL 36 1.534 -3.022 5.999 276 2HG1 VAL 36 2HG1 VAL 36 0.585 -1.736 5.257 277 3HG1 VAL 36 3HG1 VAL 36 1.482 -2.866 4.244 278 1HG2 VAL 36 1HG2 VAL 36 -0.779 -3.935 7.177 279 2HG2 VAL 36 2HG2 VAL 36 0.605 -4.881 6.631 280 3HG2 VAL 36 3HG2 VAL 36 -1.029 -5.375 6.191 281 H PHE 37 H PHE 37 -1.787 -3.968 2.627 282 HA PHE 37 HA PHE 37 -0.684 -1.992 0.998 283 1HB PHE 37 2HB PHE 37 -1.155 -4.439 0.427 284 2HB PHE 37 1HB PHE 37 -2.793 -3.917 0.044 285 HD1 PHE 37 1HD PHE 37 -3.172 -2.302 -1.794 286 HD2 PHE 37 2HD PHE 37 0.647 -4.023 -1.046 287 HE1 PHE 37 1HE PHE 37 -2.435 -1.636 -4.046 288 HE2 PHE 37 2HE PHE 37 1.392 -3.361 -3.295 289 HZ PHE 37 HZ PHE 37 -0.151 -2.166 -4.798 290 H PHE 38 H PHE 38 -4.168 -2.836 1.063 291 HA PHE 38 HA PHE 38 -4.938 -0.481 -0.264 292 1HB PHE 38 2HB PHE 38 -6.536 -2.351 1.486 293 2HB PHE 38 1HB PHE 38 -7.246 -1.036 0.561 294 HD1 PHE 38 2HD PHE 38 -5.576 -4.288 0.357 295 HD2 PHE 38 1HD PHE 38 -7.530 -1.197 -1.810 296 HE1 PHE 38 2HE PHE 38 -5.759 -5.778 -1.592 297 HE2 PHE 38 1HE PHE 38 -7.718 -2.680 -3.765 298 HZ PHE 38 HZ PHE 38 -6.829 -4.975 -3.658 299 H GLY 39 H GLY 39 -4.886 -1.290 3.197 300 1HA GLY 39 2HA GLY 39 -6.085 1.059 4.138 301 2HA GLY 39 1HA GLY 39 -4.968 0.060 5.054 302 H THR 40 H THR 40 -2.586 0.342 4.083 303 HA THR 40 HA THR 40 -1.776 2.914 4.815 304 HB THR 40 HB THR 40 -0.227 0.931 3.146 305 HG1 THR 40 1HG THR 40 0.564 0.263 5.218 306 1HG2 THR 40 1HG2 THR 40 0.651 3.207 4.892 307 2HG2 THR 40 2HG2 THR 40 0.976 2.964 3.176 308 3HG2 THR 40 3HG2 THR 40 1.723 1.907 4.374 309 H LEU 41 H LEU 41 -1.972 1.470 1.555 310 HA LEU 41 HA LEU 41 -1.044 3.709 0.159 311 1HB LEU 41 2HB LEU 41 -1.913 1.168 -0.506 312 2HB LEU 41 1HB LEU 41 -3.067 2.214 -1.306 313 HG LEU 41 HG LEU 41 -1.246 3.356 -2.470 314 1HD1 LEU 41 1HD1 LEU 41 1.000 1.886 -2.234 315 2HD1 LEU 41 2HD1 LEU 41 0.384 1.788 -0.584 316 3HD1 LEU 41 3HD1 LEU 41 0.691 3.362 -1.319 317 1HD2 LEU 41 1HD2 LEU 41 -1.261 1.818 -4.090 318 2HD2 LEU 41 2HD2 LEU 41 -2.204 0.830 -2.976 319 3HD2 LEU 41 3HD2 LEU 41 -0.457 0.618 -3.080 320 H LEU 42 H LEU 42 -4.373 2.791 1.019 321 HA LEU 42 HA LEU 42 -5.618 4.928 -0.341 322 1HB LEU 42 2HB LEU 42 -6.497 2.725 1.034 323 2HB LEU 42 1HB LEU 42 -6.978 4.030 2.096 324 HG LEU 42 HG LEU 42 -7.984 5.054 -0.099 325 1HD1 LEU 42 1HD1 LEU 42 -7.996 2.114 -0.762 326 2HD1 LEU 42 2HD1 LEU 42 -6.983 3.322 -1.556 327 3HD1 LEU 42 3HD1 LEU 42 -8.739 3.418 -1.690 328 1HD2 LEU 42 1HD2 LEU 42 -10.079 3.706 0.331 329 2HD2 LEU 42 2HD2 LEU 42 -9.385 4.525 1.729 330 3HD2 LEU 42 3HD2 LEU 42 -9.141 2.792 1.511 331 H LEU 43 H LEU 43 -4.379 4.612 2.952 332 HA LEU 43 HA LEU 43 -5.398 7.085 3.884 333 1HB LEU 43 2HB LEU 43 -3.483 5.055 4.847 334 2HB LEU 43 1HB LEU 43 -3.257 6.671 5.485 335 HG LEU 43 HG LEU 43 -4.625 5.340 6.988 336 1HD1 LEU 43 1HD1 LEU 43 -6.611 6.818 7.116 337 2HD1 LEU 43 2HD1 LEU 43 -6.150 7.514 5.563 338 3HD1 LEU 43 3HD1 LEU 43 -5.089 7.694 6.959 339 1HD2 LEU 43 1HD2 LEU 43 -6.014 4.669 4.493 340 2HD2 LEU 43 2HD2 LEU 43 -7.071 4.999 5.866 341 3HD2 LEU 43 3HD2 LEU 43 -5.839 3.743 5.984 342 H ILE 44 H ILE 44 -2.128 6.144 2.821 343 HA ILE 44 HA ILE 44 -1.034 8.732 3.029 344 HB ILE 44 HB ILE 44 0.768 7.877 1.521 345 1HG1 ILE 44 2HG1 ILE 44 0.342 5.146 1.496 346 2HG1 ILE 44 1HG1 ILE 44 -1.242 5.793 1.087 347 1HG2 ILE 44 1HG2 ILE 44 1.773 6.703 3.208 348 2HG2 ILE 44 2HG2 ILE 44 0.313 5.793 3.597 349 3HG2 ILE 44 3HG2 ILE 44 0.461 7.478 4.097 350 1HD1 ILE 44 1HD1 ILE 44 0.310 5.263 -0.832 351 2HD1 ILE 44 2HD1 ILE 44 1.256 6.661 -0.323 352 3HD1 ILE 44 3HD1 ILE 44 -0.420 6.869 -0.831 353 H GLY 45 H GLY 45 -2.442 6.987 0.274 354 1HA GLY 45 2HA GLY 45 -1.886 8.912 -1.689 355 2HA GLY 45 1HA GLY 45 -3.175 7.722 -1.769 356 H PHE 46 H PHE 46 -4.882 8.433 0.191 357 HA PHE 46 HA PHE 46 -6.248 10.613 -0.939 358 1HB PHE 46 2HB PHE 46 -6.630 8.824 1.371 359 2HB PHE 46 1HB PHE 46 -7.400 10.398 1.516 360 HD1 PHE 46 1HD PHE 46 -7.036 7.603 -0.926 361 HD2 PHE 46 2HD PHE 46 -9.519 10.669 0.671 362 HE1 PHE 46 1HE PHE 46 -8.901 6.816 -2.324 363 HE2 PHE 46 2HE PHE 46 -11.388 9.886 -0.724 364 HZ PHE 46 HZ PHE 46 -11.081 7.957 -2.224 365 H PHE 47 H PHE 47 -4.544 10.379 2.188 366 HA PHE 47 HA PHE 47 -4.975 13.057 2.911 367 1HB PHE 47 2HB PHE 47 -3.179 10.880 3.846 368 2HB PHE 47 1HB PHE 47 -2.810 12.525 4.358 369 HD1 PHE 47 2HD PHE 47 -5.078 13.851 5.082 370 HD2 PHE 47 1HD PHE 47 -4.419 9.652 5.331 371 HE1 PHE 47 2HE PHE 47 -6.791 13.689 6.843 372 HE2 PHE 47 1HE PHE 47 -6.132 9.484 7.089 373 HZ PHE 47 HZ PHE 47 -7.319 11.505 7.848 374 H ARG 48 H ARG 48 -2.048 11.559 1.476 375 HA ARG 48 HA ARG 48 -0.664 14.030 1.321 376 1HB ARG 48 2HB ARG 48 -0.208 11.295 0.261 377 2HB ARG 48 1HB ARG 48 0.655 12.613 -0.509 378 1HG ARG 48 2HG ARG 48 1.588 13.266 1.653 379 2HG ARG 48 1HG ARG 48 0.730 11.927 2.421 380 1HD ARG 48 2HD ARG 48 2.148 10.367 1.595 381 2HD ARG 48 1HD ARG 48 2.428 11.253 0.099 382 HE ARG 48 HE ARG 48 3.847 12.770 1.532 383 1HH1 ARG 48 1HH1 ARG 48 3.392 9.388 2.311 384 2HH1 ARG 48 2HH1 ARG 48 4.891 9.263 3.165 385 1HH2 ARG 48 1HH2 ARG 48 5.816 12.590 2.648 386 2HH2 ARG 48 2HH2 ARG 48 6.266 11.074 3.356 387 H VAL 49 H VAL 49 -2.279 12.101 -1.218 388 HA VAL 49 HA VAL 49 -1.844 14.097 -3.203 389 HB VAL 49 HB VAL 49 -3.882 11.883 -3.342 390 1HG1 VAL 49 1HG1 VAL 49 -2.545 12.418 -5.794 391 2HG1 VAL 49 2HG1 VAL 49 -3.114 13.948 -5.126 392 3HG1 VAL 49 3HG1 VAL 49 -4.251 12.627 -5.398 393 1HG2 VAL 49 1HG2 VAL 49 -0.985 11.738 -3.221 394 2HG2 VAL 49 2HG2 VAL 49 -1.622 11.050 -4.715 395 3HG2 VAL 49 3HG2 VAL 49 -2.183 10.446 -3.156 396 H VAL 50 H VAL 50 -4.961 12.912 -1.878 397 HA VAL 50 HA VAL 50 -6.420 15.100 -2.906 398 HB VAL 50 HB VAL 50 -7.259 13.400 -0.562 399 1HG1 VAL 50 1HG1 VAL 50 -8.803 15.108 -0.728 400 2HG1 VAL 50 2HG1 VAL 50 -9.524 13.853 -1.734 401 3HG1 VAL 50 3HG1 VAL 50 -8.668 15.199 -2.483 402 1HG2 VAL 50 1HG2 VAL 50 -7.662 11.639 -1.887 403 2HG2 VAL 50 2HG2 VAL 50 -6.533 12.401 -3.007 404 3HG2 VAL 50 3HG2 VAL 50 -8.269 12.650 -3.198 405 H GLY 51 H GLY 51 -5.095 14.468 0.332 406 1HA GLY 51 2HA GLY 51 -6.194 16.734 1.586 407 2HA GLY 51 1HA GLY 51 -4.765 15.869 2.123 408 H ARG 52 H ARG 52 -3.134 16.322 -0.156 409 HA ARG 52 HA ARG 52 -2.375 19.057 0.413 410 1HB ARG 52 2HB ARG 52 -0.857 16.906 0.095 411 2HB ARG 52 1HB ARG 52 -0.903 17.412 -1.589 412 1HG ARG 52 2HG ARG 52 0.225 19.387 -1.155 413 2HG ARG 52 1HG ARG 52 -0.196 19.367 0.558 414 1HD ARG 52 2HD ARG 52 1.940 18.663 0.771 415 2HD ARG 52 1HD ARG 52 1.213 17.097 0.431 416 HE ARG 52 HE ARG 52 2.643 18.767 -1.528 417 1HH1 ARG 52 1HH1 ARG 52 1.467 15.643 -0.477 418 2HH1 ARG 52 2HH1 ARG 52 2.275 14.783 -1.742 419 1HH2 ARG 52 1HH2 ARG 52 3.696 17.627 -3.185 420 2HH2 ARG 52 2HH2 ARG 52 3.537 15.904 -3.276 421 H MET 53 H MET 53 -3.670 17.210 -2.286 422 HA MET 53 HA MET 53 -3.347 19.381 -4.153 423 1HB MET 53 2HB MET 53 -3.373 16.861 -4.682 424 2HB MET 53 1HB MET 53 -5.124 16.994 -4.581 425 1HG MET 53 2HG MET 53 -4.421 19.077 -6.241 426 2HG MET 53 1HG MET 53 -3.303 17.793 -6.697 427 1HE MET 53 1HE MET 53 -4.509 15.089 -7.386 428 2HE MET 53 2HE MET 53 -3.658 16.322 -8.314 429 3HE MET 53 3HE MET 53 -5.161 15.636 -8.929 430 H LEU 54 H LEU 54 -6.230 17.754 -2.775 431 HA LEU 54 HA LEU 54 -7.579 20.285 -2.509 432 1HB LEU 54 2HB LEU 54 -8.086 18.505 -4.800 433 2HB LEU 54 1HB LEU 54 -9.523 19.049 -3.953 434 HG LEU 54 HG LEU 54 -7.887 21.328 -4.352 435 1HD1 LEU 54 1HD1 LEU 54 -7.826 19.402 -6.591 436 2HD1 LEU 54 2HD1 LEU 54 -6.680 20.668 -6.146 437 3HD1 LEU 54 3HD1 LEU 54 -8.167 21.084 -7.000 438 1HD2 LEU 54 1HD2 LEU 54 -10.028 21.961 -4.454 439 2HD2 LEU 54 2HD2 LEU 54 -10.569 20.369 -4.984 440 3HD2 LEU 54 3HD2 LEU 54 -9.939 21.521 -6.160 441 HA PRO 55 HA PRO 55 -8.846 17.214 0.685 442 1HB PRO 55 2HB PRO 55 -9.458 19.722 2.125 443 2HB PRO 55 1HB PRO 55 -8.498 18.335 2.643 444 1HG PRO 55 2HG PRO 55 -7.353 20.666 1.989 445 2HG PRO 55 1HG PRO 55 -6.584 19.113 1.632 446 1HD PRO 55 2HD PRO 55 -8.049 20.965 -0.200 447 2HD PRO 55 1HD PRO 55 -6.590 19.998 -0.504 448 H ILE 56 H ILE 56 -10.683 16.634 -0.595 449 HA ILE 56 HA ILE 56 -12.903 16.522 -1.110 450 HB ILE 56 HB ILE 56 -13.489 18.208 1.307 451 1HG1 ILE 56 2HG1 ILE 56 -11.816 16.676 2.102 452 2HG1 ILE 56 1HG1 ILE 56 -13.383 16.088 2.647 453 1HG2 ILE 56 1HG2 ILE 56 -15.416 16.708 1.499 454 2HG2 ILE 56 2HG2 ILE 56 -14.869 15.831 0.071 455 3HG2 ILE 56 3HG2 ILE 56 -15.370 17.515 -0.067 456 1HD1 ILE 56 1HD1 ILE 56 -11.429 14.866 0.854 457 2HD1 ILE 56 2HD1 ILE 56 -13.097 14.772 0.287 458 3HD1 ILE 56 3HD1 ILE 56 -12.664 14.123 1.869 459 H GLN 57 H GLN 57 -11.394 18.671 -2.237 460 HA GLN 57 HA GLN 57 -11.558 20.764 -3.166 461 1HB GLN 57 2HB GLN 57 -13.376 20.923 -4.724 462 2HB GLN 57 1HB GLN 57 -12.878 19.242 -4.631 463 1HG GLN 57 2HG GLN 57 -14.847 18.566 -3.789 464 2HG GLN 57 1HG GLN 57 -15.049 20.017 -2.808 465 1HE2 GLN 57 1HE2 GLN 57 -16.659 18.418 -4.925 466 2HE2 GLN 57 2HE2 GLN 57 -17.327 19.666 -5.917 467 H GLU 58 H GLU 58 -11.998 20.995 -0.456 468 HA GLU 58 HA GLU 58 -12.928 22.303 1.167 469 1HB GLU 58 2HB GLU 58 -13.444 24.241 -1.084 470 2HB GLU 58 1HB GLU 58 -13.140 24.614 0.607 471 1HG GLU 58 2HG GLU 58 -11.009 23.098 -0.720 472 2HG GLU 58 1HG GLU 58 -11.284 24.718 -1.360 473 H ASN 59 H ASN 59 -14.742 20.911 1.521 474 HA ASN 59 HA ASN 59 -17.243 21.541 0.198 475 1HB ASN 59 2HB ASN 59 -16.200 19.358 1.838 476 2HB ASN 59 1HB ASN 59 -17.847 19.809 2.270 477 1HD2 ASN 59 1HD2 ASN 59 -18.945 18.128 1.445 478 2HD2 ASN 59 2HD2 ASN 59 -18.969 17.701 -0.228 479 H GLN 60 H GLN 60 -15.964 21.627 3.519 480 HA GLN 60 HA GLN 60 -18.255 23.165 4.420 481 1HB GLN 60 2HB GLN 60 -16.302 21.473 5.642 482 2HB GLN 60 1HB GLN 60 -16.235 23.050 6.420 483 1HG GLN 60 2HG GLN 60 -18.834 21.622 6.001 484 2HG GLN 60 1HG GLN 60 -17.805 21.284 7.392 485 1HE2 GLN 60 1HE2 GLN 60 -17.410 22.954 8.899 486 2HE2 GLN 60 2HE2 GLN 60 -18.494 24.291 9.051 487 H ALA 61 H ALA 61 -18.333 25.307 4.368 488 HA ALA 61 HA ALA 61 -16.104 26.952 5.048 489 1HB ALA 61 1HB ALA 61 -16.801 27.872 2.422 490 2HB ALA 61 2HB ALA 61 -16.266 26.194 2.348 491 3HB ALA 61 3HB ALA 61 -15.222 27.423 3.065 492 HA PRO 62 HA PRO 62 -20.576 28.460 5.670 493 1HB PRO 62 2HB PRO 62 -19.261 29.106 8.265 494 2HB PRO 62 1HB PRO 62 -20.883 28.476 7.950 495 1HG PRO 62 2HG PRO 62 -18.961 26.880 8.871 496 2HG PRO 62 1HG PRO 62 -20.123 26.302 7.666 497 1HD PRO 62 2HD PRO 62 -17.272 27.100 7.318 498 2HD PRO 62 1HD PRO 62 -18.197 25.826 6.500 499 H ALA 63 H ALA 63 -17.557 29.918 6.909 500 HA ALA 63 HA ALA 63 -16.822 32.083 6.952 501 1HB ALA 63 1HB ALA 63 -16.798 33.201 4.838 502 2HB ALA 63 2HB ALA 63 -18.174 32.261 4.264 503 3HB ALA 63 3HB ALA 63 -16.620 31.474 4.538 504 HA PRO 64 HA PRO 64 -20.929 33.625 8.549 505 1HB PRO 64 2HB PRO 64 -18.944 34.901 10.369 506 2HB PRO 64 1HB PRO 64 -20.481 34.118 10.751 507 1HG PRO 64 2HG PRO 64 -18.175 32.882 11.240 508 2HG PRO 64 1HG PRO 64 -19.579 31.984 10.631 509 1HD PRO 64 2HD PRO 64 -17.121 32.875 9.187 510 2HD PRO 64 1HD PRO 64 -18.071 31.388 8.991 511 H ASN 65 H ASN 65 -17.866 35.263 7.921 512 HA ASN 65 HA ASN 65 -19.148 37.841 7.593 513 1HB ASN 65 2HB ASN 65 -16.731 37.317 8.477 514 2HB ASN 65 1HB ASN 65 -16.322 37.266 6.766 515 1HD2 ASN 65 1HD2 ASN 65 -17.965 39.296 9.157 516 2HD2 ASN 65 2HD2 ASN 65 -17.452 40.803 8.485 517 H ILE 66 H ILE 66 -17.283 35.621 5.541 518 HA ILE 66 HA ILE 66 -17.623 34.986 3.372 519 HB ILE 66 HB ILE 66 -20.082 35.914 3.837 520 1HG1 ILE 66 2HG1 ILE 66 -19.385 35.572 0.959 521 2HG1 ILE 66 1HG1 ILE 66 -19.005 34.258 2.068 522 1HG2 ILE 66 1HG2 ILE 66 -19.659 37.571 1.456 523 2HG2 ILE 66 2HG2 ILE 66 -18.981 38.237 2.943 524 3HG2 ILE 66 3HG2 ILE 66 -20.694 37.835 2.859 525 1HD1 ILE 66 1HD1 ILE 66 -21.698 35.432 1.454 526 2HD1 ILE 66 2HD1 ILE 66 -21.406 34.331 2.801 527 3HD1 ILE 66 3HD1 ILE 66 -21.126 33.793 1.144 528 H THR 67 H THR 67 -17.078 38.251 4.346 529 HA THR 67 HA THR 67 -15.407 39.671 3.713 530 HB THR 67 HB THR 67 -13.828 39.191 2.077 531 HG1 THR 67 1HG THR 67 -15.467 37.309 0.777 532 1HG2 THR 67 1HG2 THR 67 -14.427 37.166 3.794 533 2HG2 THR 67 2HG2 THR 67 -13.006 37.245 2.753 534 3HG2 THR 67 3HG2 THR 67 -14.434 36.350 2.232 535 H GLY 68 H GLY 68 -17.075 38.540 0.770 536 1HA GLY 68 2HA GLY 68 -18.788 39.774 -0.329 537 2HA GLY 68 1HA GLY 68 -18.219 41.228 0.481 538 H ALA 69 H ALA 69 -18.580 41.827 -1.939 539 HA ALA 69 HA ALA 69 -16.066 42.408 -3.042 540 1HB ALA 69 1HB ALA 69 -17.541 40.165 -4.415 541 2HB ALA 69 2HB ALA 69 -15.948 40.086 -3.663 542 3HB ALA 69 3HB ALA 69 -16.190 41.057 -5.115 543 H LEU 70 H LEU 70 -17.291 44.390 -2.885 544 HA LEU 70 HA LEU 70 -18.045 46.173 -4.147 545 1HB LEU 70 2HB LEU 70 -19.394 44.236 -6.019 546 2HB LEU 70 1HB LEU 70 -19.084 45.940 -6.282 547 HG LEU 70 HG LEU 70 -16.691 44.275 -5.813 548 1HD1 LEU 70 1HD1 LEU 70 -17.368 44.098 -8.592 549 2HD1 LEU 70 2HD1 LEU 70 -18.620 43.330 -7.615 550 3HD1 LEU 70 3HD1 LEU 70 -16.941 42.815 -7.460 551 1HD2 LEU 70 1HD2 LEU 70 -17.250 46.826 -6.734 552 2HD2 LEU 70 2HD2 LEU 70 -16.792 45.934 -8.185 553 3HD2 LEU 70 3HD2 LEU 70 -15.694 45.998 -6.807 554 H GLU 71 H GLU 71 -19.903 43.545 -2.970 555 HA GLU 71 HA GLU 71 -22.483 44.695 -3.160 556 1HB GLU 71 2HB GLU 71 -21.481 42.258 -2.380 557 2HB GLU 71 1HB GLU 71 -22.032 42.939 -0.854 558 1HG GLU 71 2HG GLU 71 -23.736 41.559 -1.965 559 2HG GLU 71 1HG GLU 71 -24.252 43.228 -1.728 560 H HIS 72 H HIS 72 -19.806 45.496 -1.233 561 HA HIS 72 HA HIS 72 -21.343 46.539 0.988 562 1HB HIS 72 2HB HIS 72 -18.976 45.501 1.090 563 2HB HIS 72 1HB HIS 72 -18.424 47.066 0.502 564 HD1 HIS 72 1HD HIS 72 -20.975 48.242 2.427 565 HD2 HIS 72 2HD HIS 72 -17.452 46.289 3.448 566 HE1 HIS 72 1HE HIS 72 -20.545 48.842 4.831 567 HE2 HIS 72 2HE HIS 72 -18.452 47.587 5.450 568 H HIS 73 H HIS 73 -22.639 48.138 0.055 569 HA HIS 73 HA HIS 73 -21.328 50.357 -1.311 570 1HB HIS 73 2HB HIS 73 -23.536 49.315 -2.081 571 2HB HIS 73 1HB HIS 73 -24.271 50.119 -0.699 572 HD1 HIS 73 1HD HIS 73 -25.339 52.239 -1.357 573 HD2 HIS 73 2HD HIS 73 -21.960 51.450 -3.644 574 HE1 HIS 73 1HE HIS 73 -25.142 54.171 -2.956 575 HE2 HIS 73 2HE HIS 73 -23.142 53.628 -4.386 576 H HIS 74 H HIS 74 -20.187 51.341 0.363 577 HA HIS 74 HA HIS 74 -21.857 52.877 2.215 578 1HB HIS 74 2HB HIS 74 -20.919 50.808 3.346 579 2HB HIS 74 1HB HIS 74 -19.322 51.515 3.126 580 HD1 HIS 74 1HD HIS 74 -19.328 51.380 5.828 581 HD2 HIS 74 2HD HIS 74 -21.875 54.171 4.099 582 HE1 HIS 74 1HE HIS 74 -19.922 52.981 7.673 583 HE2 HIS 74 2HE HIS 74 -21.535 54.610 6.626 584 H HIS 75 H HIS 75 -18.426 52.363 1.368 585 HA HIS 75 HA HIS 75 -16.761 53.810 0.826 586 1HB HIS 75 2HB HIS 75 -19.099 54.771 -0.503 587 2HB HIS 75 1HB HIS 75 -18.178 56.162 0.062 588 HD1 HIS 75 1HD HIS 75 -15.444 55.854 -0.584 589 HD2 HIS 75 2HD HIS 75 -18.296 53.969 -2.945 590 HE1 HIS 75 1HE HIS 75 -14.297 55.372 -2.768 591 HE2 HIS 75 2HE HIS 75 -16.018 54.161 -4.153 592 H HIS 76 H HIS 76 -15.857 54.221 2.792 593 HA HIS 76 HA HIS 76 -16.977 55.858 4.789 594 1HB HIS 76 2HB HIS 76 -14.694 54.241 4.513 595 2HB HIS 76 1HB HIS 76 -14.089 55.847 4.904 596 HD1 HIS 76 1HD HIS 76 -17.017 53.791 6.231 597 HD2 HIS 76 2HD HIS 76 -13.746 55.976 7.571 598 HE1 HIS 76 1HE HIS 76 -17.127 53.694 8.741 599 HE2 HIS 76 2HE HIS 76 -15.186 55.094 9.531 600 H HIS 77 H HIS 77 -14.842 56.549 2.086 601 HA HIS 77 HA HIS 77 -14.272 59.235 2.904 602 1HB HIS 77 2HB HIS 77 -13.048 57.554 1.198 603 2HB HIS 77 1HB HIS 77 -14.004 58.479 0.046 604 HD1 HIS 77 1HD HIS 77 -10.772 58.471 1.381 605 HD2 HIS 77 2HD HIS 77 -13.585 61.465 0.754 606 HE1 HIS 77 1HE HIS 77 -9.468 60.623 1.344 607 HE2 HIS 77 2HE HIS 77 -11.181 62.411 0.885 Start of MODEL 3 1 1H ALA 1 1HT ALA 1 -11.275 -49.302 14.604 2 2H ALA 1 2HT ALA 1 -12.403 -50.477 14.068 3 3H ALA 1 3HT ALA 1 -11.559 -50.702 15.545 4 HA ALA 1 HA ALA 1 -13.617 -50.029 16.194 5 1HB ALA 1 1HB ALA 1 -13.231 -47.620 16.938 6 2HB ALA 1 2HB ALA 1 -11.680 -47.740 16.109 7 3HB ALA 1 3HB ALA 1 -12.051 -48.826 17.448 8 H ASP 2 H ASP 2 -15.542 -49.690 15.351 9 HA ASP 2 HA ASP 2 -17.269 -48.838 14.156 10 1HB ASP 2 2HB ASP 2 -15.436 -46.445 14.003 11 2HB ASP 2 1HB ASP 2 -17.088 -46.447 13.395 12 H LYS 3 H LYS 3 -14.626 -49.957 12.764 13 HA LYS 3 HA LYS 3 -14.009 -50.509 10.645 14 1HB LYS 3 2HB LYS 3 -16.917 -50.435 10.691 15 2HB LYS 3 1HB LYS 3 -16.283 -50.127 9.082 16 1HG LYS 3 2HG LYS 3 -16.066 -52.312 8.817 17 2HG LYS 3 1HG LYS 3 -14.812 -52.294 10.056 18 1HD LYS 3 2HD LYS 3 -16.118 -53.560 11.337 19 2HD LYS 3 1HD LYS 3 -17.271 -52.228 11.423 20 1HE LYS 3 2HE LYS 3 -18.740 -53.359 10.194 21 2HE LYS 3 1HE LYS 3 -17.550 -53.593 8.914 22 1HZ LYS 3 1HZ LYS 3 -16.685 -55.429 10.527 23 2HZ LYS 3 2HZ LYS 3 -17.997 -55.739 9.506 24 3HZ LYS 3 3HZ LYS 3 -18.263 -55.372 11.136 25 H THR 4 H THR 4 -13.400 -47.854 11.334 26 HA THR 4 HA THR 4 -13.034 -46.729 8.731 27 HB THR 4 HB THR 4 -14.174 -44.492 9.856 28 HG1 THR 4 1HG THR 4 -15.757 -45.041 11.099 29 1HG2 THR 4 1HG2 THR 4 -14.789 -46.283 7.686 30 2HG2 THR 4 2HG2 THR 4 -14.997 -44.536 7.805 31 3HG2 THR 4 3HG2 THR 4 -16.252 -45.617 8.410 32 H ILE 5 H ILE 5 -10.861 -46.685 9.198 33 HA ILE 5 HA ILE 5 -9.926 -44.459 10.800 34 HB ILE 5 HB ILE 5 -8.768 -47.172 11.414 35 1HG1 ILE 5 2HG1 ILE 5 -9.913 -46.631 13.729 36 2HG1 ILE 5 1HG1 ILE 5 -11.045 -45.746 12.717 37 1HG2 ILE 5 1HG2 ILE 5 -8.189 -45.565 13.512 38 2HG2 ILE 5 2HG2 ILE 5 -8.200 -44.402 12.187 39 3HG2 ILE 5 3HG2 ILE 5 -7.137 -45.806 12.116 40 1HD1 ILE 5 1HD1 ILE 5 -10.329 -48.631 12.305 41 2HD1 ILE 5 2HD1 ILE 5 -11.615 -47.726 11.519 42 3HD1 ILE 5 3HD1 ILE 5 -11.714 -48.077 13.238 43 H PHE 6 H PHE 6 -9.900 -45.406 7.980 44 HA PHE 6 HA PHE 6 -7.109 -44.862 7.475 45 1HB PHE 6 2HB PHE 6 -7.399 -47.409 7.759 46 2HB PHE 6 1HB PHE 6 -8.250 -47.349 6.219 47 HD1 PHE 6 2HD PHE 6 -5.109 -45.884 7.616 48 HD2 PHE 6 1HD PHE 6 -6.980 -48.004 4.437 49 HE1 PHE 6 2HE PHE 6 -2.954 -46.002 6.432 50 HE2 PHE 6 1HE PHE 6 -4.827 -48.128 3.249 51 HZ PHE 6 HZ PHE 6 -2.814 -47.123 4.246 52 H ASN 7 H ASN 7 -7.795 -43.016 6.444 53 HA ASN 7 HA ASN 7 -8.388 -41.730 4.666 54 1HB ASN 7 2HB ASN 7 -8.596 -44.403 3.266 55 2HB ASN 7 1HB ASN 7 -8.753 -42.850 2.456 56 1HD2 ASN 7 1HD2 ASN 7 -6.854 -44.710 1.738 57 2HD2 ASN 7 2HD2 ASN 7 -5.284 -44.095 2.111 58 H ASP 8 H ASP 8 -10.271 -41.249 3.175 59 HA ASP 8 HA ASP 8 -12.508 -41.062 2.747 60 1HB ASP 8 2HB ASP 8 -12.378 -43.669 3.065 61 2HB ASP 8 1HB ASP 8 -13.190 -43.321 4.589 62 H HIS 9 H HIS 9 -13.214 -39.248 3.648 63 HA HIS 9 HA HIS 9 -14.334 -37.908 5.129 64 1HB HIS 9 2HB HIS 9 -15.369 -40.079 5.985 65 2HB HIS 9 1HB HIS 9 -14.116 -40.073 7.221 66 HD1 HIS 9 1HD HIS 9 -15.902 -39.796 9.080 67 HD2 HIS 9 2HD HIS 9 -15.796 -36.683 6.329 68 HE1 HIS 9 1HE HIS 9 -17.254 -37.941 10.111 69 HE2 HIS 9 2HE HIS 9 -17.129 -36.047 8.453 70 H LEU 10 H LEU 10 -12.052 -39.872 7.026 71 HA LEU 10 HA LEU 10 -10.240 -39.327 8.277 72 1HB LEU 10 2HB LEU 10 -10.213 -36.910 6.471 73 2HB LEU 10 1HB LEU 10 -8.921 -37.337 7.576 74 HG LEU 10 HG LEU 10 -9.845 -39.022 5.247 75 1HD1 LEU 10 1HD1 LEU 10 -7.139 -38.131 5.068 76 2HD1 LEU 10 2HD1 LEU 10 -8.196 -36.737 5.291 77 3HD1 LEU 10 3HD1 LEU 10 -8.479 -37.853 3.956 78 1HD2 LEU 10 1HD2 LEU 10 -8.912 -40.647 6.493 79 2HD2 LEU 10 2HD2 LEU 10 -8.046 -39.505 7.521 80 3HD2 LEU 10 3HD2 LEU 10 -7.393 -39.939 5.941 81 H ASN 11 H ASN 11 -11.006 -39.037 10.298 82 HA ASN 11 HA ASN 11 -12.458 -36.682 11.072 83 1HB ASN 11 2HB ASN 11 -12.524 -39.132 12.059 84 2HB ASN 11 1HB ASN 11 -11.214 -38.531 13.070 85 1HD2 ASN 11 1HD2 ASN 11 -14.123 -39.292 13.509 86 2HD2 ASN 11 2HD2 ASN 11 -14.760 -37.970 14.420 87 H THR 12 H THR 12 -9.256 -38.022 11.851 88 HA THR 12 HA THR 12 -8.448 -35.553 13.130 89 HB THR 12 HB THR 12 -6.238 -36.783 13.364 90 HG1 THR 12 1HG THR 12 -6.339 -39.026 12.956 91 1HG2 THR 12 1HG2 THR 12 -7.483 -38.720 14.767 92 2HG2 THR 12 2HG2 THR 12 -8.776 -37.529 14.623 93 3HG2 THR 12 3HG2 THR 12 -7.233 -37.073 15.345 94 H ASN 13 H ASN 13 -7.201 -34.006 12.277 95 HA ASN 13 HA ASN 13 -6.056 -32.768 10.769 96 1HB ASN 13 2HB ASN 13 -5.193 -35.532 9.976 97 2HB ASN 13 1HB ASN 13 -4.713 -34.146 9.004 98 1HD2 ASN 13 1HD2 ASN 13 -2.579 -34.988 9.675 99 2HD2 ASN 13 2HD2 ASN 13 -1.910 -34.394 11.153 100 HA PRO 14 HA PRO 14 -9.729 -33.577 7.857 101 1HB PRO 14 2HB PRO 14 -10.085 -30.707 8.560 102 2HB PRO 14 1HB PRO 14 -11.298 -31.981 8.384 103 1HG PRO 14 2HG PRO 14 -10.584 -31.106 10.796 104 2HG PRO 14 1HG PRO 14 -10.910 -32.825 10.509 105 1HD PRO 14 2HD PRO 14 -8.295 -31.414 10.817 106 2HD PRO 14 1HD PRO 14 -8.781 -33.029 11.372 107 H LYS 15 H LYS 15 -7.604 -30.767 8.276 108 HA LYS 15 HA LYS 15 -6.905 -30.881 5.449 109 1HB LYS 15 2HB LYS 15 -7.771 -28.311 6.765 110 2HB LYS 15 1HB LYS 15 -7.332 -28.536 5.079 111 1HG LYS 15 2HG LYS 15 -9.666 -29.952 6.324 112 2HG LYS 15 1HG LYS 15 -9.800 -28.327 5.657 113 1HD LYS 15 2HD LYS 15 -8.823 -29.278 3.519 114 2HD LYS 15 1HD LYS 15 -9.099 -30.873 4.220 115 1HE LYS 15 2HE LYS 15 -11.505 -30.131 4.573 116 2HE LYS 15 1HE LYS 15 -11.127 -28.766 3.522 117 1HZ LYS 15 1HZ LYS 15 -12.060 -31.084 2.627 118 2HZ LYS 15 2HZ LYS 15 -10.400 -31.390 2.510 119 3HZ LYS 15 3HZ LYS 15 -11.073 -30.067 1.703 120 H THR 16 H THR 16 -6.338 -29.460 8.638 121 HA THR 16 HA THR 16 -4.497 -28.424 9.550 122 HB THR 16 HB THR 16 -2.578 -29.968 9.703 123 HG1 THR 16 1HG THR 16 -2.810 -31.992 8.573 124 1HG2 THR 16 1HG2 THR 16 -5.028 -30.413 10.746 125 2HG2 THR 16 2HG2 THR 16 -3.602 -31.399 11.077 126 3HG2 THR 16 3HG2 THR 16 -4.760 -31.906 9.848 127 H ASN 17 H ASN 17 -2.351 -29.959 7.268 128 HA ASN 17 HA ASN 17 -0.994 -27.572 6.696 129 1HB ASN 17 2HB ASN 17 -0.975 -30.245 5.289 130 2HB ASN 17 1HB ASN 17 0.128 -28.927 4.904 131 1HD2 ASN 17 1HD2 ASN 17 0.909 -27.946 7.233 132 2HD2 ASN 17 2HD2 ASN 17 1.690 -29.146 8.201 133 H LEU 18 H LEU 18 -3.423 -29.393 4.880 134 HA LEU 18 HA LEU 18 -3.351 -27.726 2.588 135 1HB LEU 18 2HB LEU 18 -5.528 -29.529 3.650 136 2HB LEU 18 1HB LEU 18 -5.573 -28.746 2.081 137 HG LEU 18 HG LEU 18 -3.485 -30.748 2.951 138 1HD1 LEU 18 1HD1 LEU 18 -4.884 -32.359 2.355 139 2HD1 LEU 18 2HD1 LEU 18 -5.084 -31.624 0.764 140 3HD1 LEU 18 3HD1 LEU 18 -6.148 -31.158 2.091 141 1HD2 LEU 18 1HD2 LEU 18 -2.728 -29.065 1.290 142 2HD2 LEU 18 2HD2 LEU 18 -4.032 -29.586 0.224 143 3HD2 LEU 18 3HD2 LEU 18 -2.749 -30.713 0.663 144 H ARG 19 H ARG 19 -5.118 -27.629 5.621 145 HA ARG 19 HA ARG 19 -7.011 -25.658 4.951 146 1HB ARG 19 2HB ARG 19 -6.866 -27.104 7.084 147 2HB ARG 19 1HB ARG 19 -5.753 -25.888 7.675 148 1HG ARG 19 2HG ARG 19 -8.400 -25.024 6.632 149 2HG ARG 19 1HG ARG 19 -8.298 -25.751 8.237 150 1HD ARG 19 2HD ARG 19 -6.203 -23.843 7.971 151 2HD ARG 19 1HD ARG 19 -7.707 -23.089 7.455 152 HE ARG 19 HE ARG 19 -8.633 -23.651 9.631 153 1HH1 ARG 19 1HH1 ARG 19 -5.150 -23.828 9.329 154 2HH1 ARG 19 2HH1 ARG 19 -4.877 -23.641 11.026 155 1HH2 ARG 19 1HH2 ARG 19 -8.258 -23.398 11.856 156 2HH2 ARG 19 2HH2 ARG 19 -6.634 -23.392 12.457 157 H LEU 20 H LEU 20 -4.079 -25.251 6.903 158 HA LEU 20 HA LEU 20 -4.079 -22.467 6.845 159 1HB LEU 20 2HB LEU 20 -1.852 -22.589 7.724 160 2HB LEU 20 1HB LEU 20 -2.824 -23.855 8.449 161 HG LEU 20 HG LEU 20 -1.729 -25.249 6.419 162 1HD1 LEU 20 1HD1 LEU 20 0.235 -23.079 7.121 163 2HD1 LEU 20 2HD1 LEU 20 -0.392 -23.494 5.525 164 3HD1 LEU 20 3HD1 LEU 20 0.691 -24.605 6.364 165 1HD2 LEU 20 1HD2 LEU 20 -0.767 -26.406 8.087 166 2HD2 LEU 20 2HD2 LEU 20 -1.600 -25.266 9.139 167 3HD2 LEU 20 3HD2 LEU 20 0.088 -24.996 8.707 168 H TRP 21 H TRP 21 -2.801 -24.799 4.568 169 HA TRP 21 HA TRP 21 -1.092 -23.093 3.132 170 1HB TRP 21 2HB TRP 21 -1.218 -25.597 2.922 171 2HB TRP 21 1HB TRP 21 -2.686 -25.382 1.972 172 HD1 TRP 21 HD TRP 21 0.889 -23.848 1.798 173 HE1 TRP 21 1HE TRP 21 1.643 -23.905 -0.662 174 HE3 TRP 21 3HE TRP 21 -3.264 -25.989 -0.278 175 HZ2 TRP 21 2HZ TRP 21 0.614 -24.743 -3.152 176 HZ3 TRP 21 3HZ TRP 21 -3.298 -26.382 -2.706 177 HH2 TRP 21 HH TRP 21 -1.399 -25.772 -4.112 178 H VAL 22 H VAL 22 -4.385 -24.141 2.214 179 HA VAL 22 HA VAL 22 -4.667 -22.268 0.133 180 HB VAL 22 HB VAL 22 -6.931 -23.472 1.720 181 1HG1 VAL 22 1HG1 VAL 22 -8.286 -22.558 0.212 182 2HG1 VAL 22 2HG1 VAL 22 -7.327 -23.199 -1.123 183 3HG1 VAL 22 3HG1 VAL 22 -6.902 -21.649 -0.396 184 1HG2 VAL 22 1HG2 VAL 22 -6.108 -25.454 1.083 185 2HG2 VAL 22 2HG2 VAL 22 -4.978 -24.722 -0.056 186 3HG2 VAL 22 3HG2 VAL 22 -6.652 -25.009 -0.533 187 H ALA 23 H ALA 23 -5.799 -22.174 3.503 188 HA ALA 23 HA ALA 23 -7.198 -19.771 3.385 189 1HB ALA 23 1HB ALA 23 -5.641 -20.463 5.834 190 2HB ALA 23 2HB ALA 23 -6.945 -21.526 5.302 191 3HB ALA 23 3HB ALA 23 -7.283 -19.838 5.682 192 H PHE 24 H PHE 24 -3.826 -20.260 4.461 193 HA PHE 24 HA PHE 24 -3.240 -17.531 4.745 194 1HB PHE 24 2HB PHE 24 -1.509 -19.957 4.337 195 2HB PHE 24 1HB PHE 24 -0.812 -18.347 4.441 196 HD1 PHE 24 1HD PHE 24 -3.458 -20.209 6.317 197 HD2 PHE 24 2HD PHE 24 0.124 -17.918 6.478 198 HE1 PHE 24 1HE PHE 24 -3.478 -20.359 8.769 199 HE2 PHE 24 2HE PHE 24 0.110 -18.065 8.933 200 HZ PHE 24 HZ PHE 24 -1.693 -19.287 10.082 201 H GLN 25 H GLN 25 -3.057 -19.678 1.955 202 HA GLN 25 HA GLN 25 -1.560 -18.004 0.278 203 1HB GLN 25 2HB GLN 25 -2.289 -20.450 -0.082 204 2HB GLN 25 1HB GLN 25 -3.772 -19.768 -0.738 205 1HG GLN 25 2HG GLN 25 -1.273 -18.657 -1.819 206 2HG GLN 25 1HG GLN 25 -1.593 -20.348 -2.202 207 1HE2 GLN 25 1HE2 GLN 25 -1.728 -19.577 -4.401 208 2HE2 GLN 25 2HE2 GLN 25 -3.213 -18.908 -4.978 209 H MET 26 H MET 26 -5.101 -18.482 0.173 210 HA MET 26 HA MET 26 -5.519 -16.193 -1.444 211 1HB MET 26 2HB MET 26 -7.413 -17.881 0.183 212 2HB MET 26 1HB MET 26 -7.943 -16.555 -0.844 213 1HG MET 26 2HG MET 26 -6.381 -18.935 -1.813 214 2HG MET 26 1HG MET 26 -8.135 -18.789 -1.893 215 1HE MET 26 1HE MET 26 -5.683 -18.408 -5.105 216 2HE MET 26 2HE MET 26 -7.369 -18.897 -5.261 217 3HE MET 26 3HE MET 26 -6.369 -19.581 -3.981 218 H MET 27 H MET 27 -6.279 -16.761 2.009 219 HA MET 27 HA MET 27 -7.179 -14.137 2.485 220 1HB MET 27 2HB MET 27 -6.947 -16.538 3.948 221 2HB MET 27 1HB MET 27 -6.125 -15.299 4.884 222 1HG MET 27 2HG MET 27 -8.032 -14.128 5.267 223 2HG MET 27 1HG MET 27 -8.791 -14.651 3.766 224 1HE MET 27 1HE MET 27 -7.211 -17.540 6.031 225 2HE MET 27 2HE MET 27 -8.310 -17.427 7.405 226 3HE MET 27 3HE MET 27 -7.267 -16.065 6.996 227 H LYS 28 H LYS 28 -4.159 -15.595 3.736 228 HA LYS 28 HA LYS 28 -3.071 -13.135 4.540 229 1HB LYS 28 2HB LYS 28 -2.328 -15.305 5.447 230 2HB LYS 28 1HB LYS 28 -1.602 -15.696 3.899 231 1HG LYS 28 2HG LYS 28 -0.355 -13.394 4.338 232 2HG LYS 28 1HG LYS 28 -0.675 -13.854 6.011 233 1HD LYS 28 2HD LYS 28 0.820 -15.536 5.961 234 2HD LYS 28 1HD LYS 28 0.349 -16.031 4.334 235 1HE LYS 28 2HE LYS 28 2.664 -15.259 4.389 236 2HE LYS 28 1HE LYS 28 1.662 -14.208 3.388 237 1HZ LYS 28 1HZ LYS 28 2.062 -12.476 4.704 238 2HZ LYS 28 2HZ LYS 28 3.313 -13.390 5.380 239 3HZ LYS 28 3HZ LYS 28 1.794 -13.356 6.124 240 H GLY 29 H GLY 29 -2.759 -14.969 1.536 241 1HA GLY 29 2HA GLY 29 -0.673 -13.466 0.396 242 2HA GLY 29 1HA GLY 29 -1.871 -14.383 -0.502 243 H ALA 30 H ALA 30 -4.116 -13.254 -0.528 244 HA ALA 30 HA ALA 30 -3.833 -10.821 -1.898 245 1HB ALA 30 1HB ALA 30 -6.460 -10.824 -1.149 246 2HB ALA 30 2HB ALA 30 -6.042 -12.533 -1.045 247 3HB ALA 30 3HB ALA 30 -5.804 -11.658 -2.556 248 H GLY 31 H GLY 31 -4.812 -11.537 1.431 249 1HA GLY 31 2HA GLY 31 -5.493 -8.930 2.207 250 2HA GLY 31 1HA GLY 31 -4.938 -10.199 3.291 251 H TRP 32 H TRP 32 -2.369 -10.575 2.106 252 HA TRP 32 HA TRP 32 -0.896 -8.615 3.498 253 1HB TRP 32 2HB TRP 32 0.502 -10.371 3.318 254 2HB TRP 32 1HB TRP 32 -0.351 -10.995 1.918 255 HD1 TRP 32 HD TRP 32 1.061 -11.135 -0.179 256 HE1 TRP 32 1HE TRP 32 3.171 -9.966 -1.075 257 HE3 TRP 32 3HE TRP 32 1.784 -7.758 3.593 258 HZ2 TRP 32 2HZ TRP 32 4.906 -7.886 -0.293 259 HZ3 TRP 32 3HZ TRP 32 3.697 -6.216 3.438 260 HH2 TRP 32 HH TRP 32 5.224 -6.282 1.536 261 H ALA 33 H ALA 33 -0.847 -9.211 -0.031 262 HA ALA 33 HA ALA 33 0.370 -6.785 -0.700 263 1HB ALA 33 1HB ALA 33 -0.598 -9.033 -2.078 264 2HB ALA 33 2HB ALA 33 0.377 -7.710 -2.718 265 3HB ALA 33 3HB ALA 33 -1.383 -7.632 -2.806 266 H GLY 34 H GLY 34 -3.072 -7.643 -1.134 267 1HA GLY 34 2HA GLY 34 -3.938 -5.066 -1.776 268 2HA GLY 34 1HA GLY 34 -4.957 -6.341 -1.126 269 H GLY 35 H GLY 35 -3.820 -6.679 1.396 270 1HA GLY 35 2HA GLY 35 -5.107 -4.666 2.855 271 2HA GLY 35 1HA GLY 35 -3.957 -5.811 3.522 272 H VAL 36 H VAL 36 -1.594 -5.156 2.435 273 HA VAL 36 HA VAL 36 -0.891 -2.811 3.850 274 HB VAL 36 HB VAL 36 0.743 -4.288 1.780 275 1HG1 VAL 36 1HG1 VAL 36 2.437 -2.900 2.210 276 2HG1 VAL 36 2HG1 VAL 36 2.175 -2.999 3.951 277 3HG1 VAL 36 3HG1 VAL 36 1.255 -1.848 2.983 278 1HG2 VAL 36 1HG2 VAL 36 -0.006 -5.747 3.610 279 2HG2 VAL 36 2HG2 VAL 36 0.673 -4.618 4.779 280 3HG2 VAL 36 3HG2 VAL 36 1.735 -5.474 3.661 281 H PHE 37 H PHE 37 -1.141 -3.489 0.362 282 HA PHE 37 HA PHE 37 -0.337 -0.962 -0.528 283 1HB PHE 37 2HB PHE 37 -1.879 -3.215 -1.719 284 2HB PHE 37 1HB PHE 37 -1.948 -1.657 -2.532 285 HD1 PHE 37 1HD PHE 37 0.360 -4.306 -1.365 286 HD2 PHE 37 2HD PHE 37 -0.157 -0.888 -3.847 287 HE1 PHE 37 1HE PHE 37 2.508 -4.781 -2.459 288 HE2 PHE 37 2HE PHE 37 1.996 -1.359 -4.944 289 HZ PHE 37 HZ PHE 37 3.328 -3.308 -4.251 290 H PHE 38 H PHE 38 -3.702 -2.200 -0.364 291 HA PHE 38 HA PHE 38 -4.857 0.343 -0.776 292 1HB PHE 38 2HB PHE 38 -5.886 -2.298 0.161 293 2HB PHE 38 1HB PHE 38 -6.889 -0.875 0.411 294 HD1 PHE 38 1HD PHE 38 -4.736 -2.141 -2.364 295 HD2 PHE 38 2HD PHE 38 -8.543 -0.672 -1.157 296 HE1 PHE 38 1HE PHE 38 -5.529 -2.300 -4.687 297 HE2 PHE 38 2HE PHE 38 -9.343 -0.830 -3.478 298 HZ PHE 38 HZ PHE 38 -7.836 -1.645 -5.247 299 H GLY 39 H GLY 39 -4.018 -1.419 2.168 300 1HA GLY 39 2HA GLY 39 -5.320 0.228 4.015 301 2HA GLY 39 1HA GLY 39 -3.888 -0.727 4.355 302 H THR 40 H THR 40 -1.829 0.305 3.299 303 HA THR 40 HA THR 40 -1.345 2.711 4.636 304 HB THR 40 HB THR 40 0.815 2.692 3.609 305 HG1 THR 40 1HG THR 40 -0.309 0.917 1.705 306 1HG2 THR 40 1HG2 THR 40 1.238 0.955 4.922 307 2HG2 THR 40 2HG2 THR 40 1.060 -0.031 3.471 308 3HG2 THR 40 3HG2 THR 40 -0.310 0.191 4.558 309 H LEU 41 H LEU 41 -1.966 2.116 1.185 310 HA LEU 41 HA LEU 41 -1.576 4.743 0.303 311 1HB LEU 41 2HB LEU 41 -2.160 2.373 -0.897 312 2HB LEU 41 1HB LEU 41 -3.678 3.226 -1.088 313 HG LEU 41 HG LEU 41 -2.409 5.099 -2.159 314 1HD1 LEU 41 1HD1 LEU 41 -0.214 5.031 -1.587 315 2HD1 LEU 41 2HD1 LEU 41 -0.119 4.103 -3.084 316 3HD1 LEU 41 3HD1 LEU 41 -0.169 3.268 -1.531 317 1HD2 LEU 41 1HD2 LEU 41 -2.725 4.168 -4.183 318 2HD2 LEU 41 2HD2 LEU 41 -3.379 2.820 -3.253 319 3HD2 LEU 41 3HD2 LEU 41 -1.707 2.774 -3.815 320 H LEU 42 H LEU 42 -4.565 3.120 1.361 321 HA LEU 42 HA LEU 42 -6.261 5.325 0.871 322 1HB LEU 42 2HB LEU 42 -6.473 2.781 2.383 323 2HB LEU 42 1HB LEU 42 -7.625 4.040 2.772 324 HG LEU 42 HG LEU 42 -8.448 2.394 1.093 325 1HD1 LEU 42 1HD1 LEU 42 -8.325 5.317 0.681 326 2HD1 LEU 42 2HD1 LEU 42 -9.716 4.259 0.916 327 3HD1 LEU 42 3HD1 LEU 42 -8.929 4.344 -0.660 328 1HD2 LEU 42 1HD2 LEU 42 -7.448 2.011 -0.897 329 2HD2 LEU 42 2HD2 LEU 42 -6.006 2.513 -0.019 330 3HD2 LEU 42 3HD2 LEU 42 -6.855 3.665 -1.041 331 H LEU 43 H LEU 43 -4.551 4.268 3.800 332 HA LEU 43 HA LEU 43 -5.683 6.240 5.488 333 1HB LEU 43 2HB LEU 43 -3.847 4.090 5.738 334 2HB LEU 43 1HB LEU 43 -3.079 5.517 6.407 335 HG LEU 43 HG LEU 43 -4.290 4.190 8.102 336 1HD1 LEU 43 1HD1 LEU 43 -5.910 6.636 8.021 337 2HD1 LEU 43 2HD1 LEU 43 -4.171 6.883 7.868 338 3HD1 LEU 43 3HD1 LEU 43 -4.822 6.032 9.269 339 1HD2 LEU 43 1HD2 LEU 43 -6.828 5.076 6.759 340 2HD2 LEU 43 2HD2 LEU 43 -6.630 3.937 8.092 341 3HD2 LEU 43 3HD2 LEU 43 -6.103 3.494 6.469 342 H ILE 44 H ILE 44 -2.443 6.060 3.996 343 HA ILE 44 HA ILE 44 -1.672 8.650 4.810 344 HB ILE 44 HB ILE 44 -0.603 7.145 2.423 345 1HG1 ILE 44 2HG1 ILE 44 -0.572 5.758 4.484 346 2HG1 ILE 44 1HG1 ILE 44 1.044 6.170 3.924 347 1HG2 ILE 44 1HG2 ILE 44 1.462 8.419 2.934 348 2HG2 ILE 44 2HG2 ILE 44 0.569 9.309 4.166 349 3HG2 ILE 44 3HG2 ILE 44 0.106 9.444 2.470 350 1HD1 ILE 44 1HD1 ILE 44 1.519 7.335 5.775 351 2HD1 ILE 44 2HD1 ILE 44 0.201 6.394 6.474 352 3HD1 ILE 44 3HD1 ILE 44 -0.101 8.028 5.882 353 H GLY 45 H GLY 45 -2.932 7.441 1.703 354 1HA GLY 45 2HA GLY 45 -2.826 9.873 0.316 355 2HA GLY 45 1HA GLY 45 -3.906 8.539 -0.059 356 H PHE 46 H PHE 46 -5.622 8.402 1.974 357 HA PHE 46 HA PHE 46 -7.376 10.547 1.512 358 1HB PHE 46 2HB PHE 46 -7.871 8.137 2.333 359 2HB PHE 46 1HB PHE 46 -7.570 8.786 3.941 360 HD1 PHE 46 2HD PHE 46 -9.294 10.313 1.016 361 HD2 PHE 46 1HD PHE 46 -9.621 8.849 4.999 362 HE1 PHE 46 2HE PHE 46 -11.617 11.118 1.118 363 HE2 PHE 46 1HE PHE 46 -11.945 9.649 5.105 364 HZ PHE 46 HZ PHE 46 -12.945 10.785 3.163 365 H PHE 47 H PHE 47 -5.392 9.761 4.358 366 HA PHE 47 HA PHE 47 -6.177 12.003 5.877 367 1HB PHE 47 2HB PHE 47 -4.977 9.868 6.659 368 2HB PHE 47 1HB PHE 47 -3.495 10.654 6.124 369 HD1 PHE 47 1HD PHE 47 -6.518 11.782 8.005 370 HD2 PHE 47 2HD PHE 47 -2.277 11.453 7.889 371 HE1 PHE 47 1HE PHE 47 -6.373 12.958 10.162 372 HE2 PHE 47 2HE PHE 47 -2.124 12.628 10.045 373 HZ PHE 47 HZ PHE 47 -4.173 13.381 11.184 374 H ARG 48 H ARG 48 -3.711 11.546 3.435 375 HA ARG 48 HA ARG 48 -2.224 13.893 3.967 376 1HB ARG 48 2HB ARG 48 -2.428 11.963 1.719 377 2HB ARG 48 1HB ARG 48 -1.739 13.537 1.357 378 1HG ARG 48 2HG ARG 48 -0.161 13.161 3.285 379 2HG ARG 48 1HG ARG 48 -0.738 11.495 3.318 380 1HD ARG 48 2HD ARG 48 0.795 12.920 1.174 381 2HD ARG 48 1HD ARG 48 1.189 11.419 2.004 382 HE ARG 48 HE ARG 48 -1.085 11.605 0.138 383 1HH1 ARG 48 1HH1 ARG 48 1.869 10.043 1.195 384 2HH1 ARG 48 2HH1 ARG 48 1.727 8.746 0.060 385 1HH2 ARG 48 1HH2 ARG 48 -1.255 9.893 -1.350 386 2HH2 ARG 48 2HH2 ARG 48 -0.041 8.658 -1.378 387 H VAL 49 H VAL 49 -4.737 13.232 1.518 388 HA VAL 49 HA VAL 49 -4.804 15.935 0.612 389 HB VAL 49 HB VAL 49 -6.950 13.860 0.189 390 1HG1 VAL 49 1HG1 VAL 49 -6.706 16.559 -0.597 391 2HG1 VAL 49 2HG1 VAL 49 -7.924 15.387 -1.099 392 3HG1 VAL 49 3HG1 VAL 49 -6.445 15.580 -2.039 393 1HG2 VAL 49 1HG2 VAL 49 -4.900 14.280 -1.885 394 2HG2 VAL 49 2HG2 VAL 49 -5.713 12.800 -1.374 395 3HG2 VAL 49 3HG2 VAL 49 -4.360 13.434 -0.434 396 H VAL 50 H VAL 50 -7.137 14.007 2.521 397 HA VAL 50 HA VAL 50 -8.864 16.190 3.013 398 HB VAL 50 HB VAL 50 -8.512 13.753 4.765 399 1HG1 VAL 50 1HG1 VAL 50 -11.194 14.796 4.453 400 2HG1 VAL 50 2HG1 VAL 50 -10.091 16.013 5.099 401 3HG1 VAL 50 3HG1 VAL 50 -10.275 14.466 5.923 402 1HG2 VAL 50 1HG2 VAL 50 -10.357 12.778 3.413 403 2HG2 VAL 50 2HG2 VAL 50 -8.858 12.991 2.512 404 3HG2 VAL 50 3HG2 VAL 50 -10.189 14.125 2.286 405 H GLY 51 H GLY 51 -6.159 14.806 4.804 406 1HA GLY 51 2HA GLY 51 -6.426 16.536 7.059 407 2HA GLY 51 1HA GLY 51 -5.056 15.503 6.699 408 H ARG 52 H ARG 52 -3.615 16.313 4.898 409 HA ARG 52 HA ARG 52 -2.926 19.046 5.534 410 1HB ARG 52 2HB ARG 52 -1.585 16.770 4.170 411 2HB ARG 52 1HB ARG 52 -1.037 18.397 3.788 412 1HG ARG 52 2HG ARG 52 0.347 17.995 5.523 413 2HG ARG 52 1HG ARG 52 -1.037 18.586 6.445 414 1HD ARG 52 2HD ARG 52 -1.554 16.522 7.254 415 2HD ARG 52 1HD ARG 52 -0.950 15.689 5.822 416 HE ARG 52 HE ARG 52 1.250 16.791 7.093 417 1HH1 ARG 52 1HH1 ARG 52 -1.214 14.429 7.814 418 2HH1 ARG 52 2HH1 ARG 52 -0.198 13.505 8.868 419 1HH2 ARG 52 1HH2 ARG 52 2.591 15.578 8.477 420 2HH2 ARG 52 2HH2 ARG 52 1.963 14.159 9.247 421 H MET 53 H MET 53 -4.388 17.363 2.860 422 HA MET 53 HA MET 53 -5.428 18.188 0.987 423 1HB MET 53 2HB MET 53 -5.909 20.204 2.490 424 2HB MET 53 1HB MET 53 -4.503 20.955 1.745 425 1HG MET 53 2HG MET 53 -6.484 21.720 0.645 426 2HG MET 53 1HG MET 53 -5.565 20.699 -0.458 427 1HE MET 53 1HE MET 53 -7.339 20.803 -1.886 428 2HE MET 53 2HE MET 53 -9.016 20.839 -1.339 429 3HE MET 53 3HE MET 53 -8.350 19.368 -2.049 430 H LEU 54 H LEU 54 -2.868 17.159 0.943 431 HA LEU 54 HA LEU 54 -1.056 16.951 -0.416 432 1HB LEU 54 2HB LEU 54 -3.108 18.231 -2.037 433 2HB LEU 54 1HB LEU 54 -1.488 18.635 -2.576 434 HG LEU 54 HG LEU 54 -2.139 15.769 -2.068 435 1HD1 LEU 54 1HD1 LEU 54 -4.025 16.692 -3.397 436 2HD1 LEU 54 2HD1 LEU 54 -3.078 15.472 -4.246 437 3HD1 LEU 54 3HD1 LEU 54 -2.861 17.180 -4.628 438 1HD2 LEU 54 1HD2 LEU 54 -0.025 15.716 -2.785 439 2HD2 LEU 54 2HD2 LEU 54 -0.105 17.355 -3.428 440 3HD2 LEU 54 3HD2 LEU 54 -0.702 16.001 -4.389 441 HA PRO 55 HA PRO 55 0.698 20.924 1.119 442 1HB PRO 55 2HB PRO 55 2.653 19.817 2.622 443 2HB PRO 55 1HB PRO 55 1.004 20.039 3.215 444 1HG PRO 55 2HG PRO 55 2.344 17.571 2.214 445 2HG PRO 55 1HG PRO 55 1.181 17.761 3.535 446 1HD PRO 55 2HD PRO 55 0.551 16.846 1.014 447 2HD PRO 55 1HD PRO 55 -0.609 17.581 2.133 448 H ILE 56 H ILE 56 2.255 18.035 -0.160 449 HA ILE 56 HA ILE 56 4.630 19.446 -0.979 450 HB ILE 56 HB ILE 56 5.149 17.288 -2.186 451 1HG1 ILE 56 2HG1 ILE 56 2.897 16.088 -0.604 452 2HG1 ILE 56 1HG1 ILE 56 2.603 16.710 -2.224 453 1HG2 ILE 56 1HG2 ILE 56 4.631 17.354 0.774 454 2HG2 ILE 56 2HG2 ILE 56 6.151 17.622 -0.079 455 3HG2 ILE 56 3HG2 ILE 56 5.449 16.006 -0.016 456 1HD1 ILE 56 1HD1 ILE 56 4.422 15.206 -3.038 457 2HD1 ILE 56 2HD1 ILE 56 3.000 14.380 -2.399 458 3HD1 ILE 56 3HD1 ILE 56 4.464 14.494 -1.424 459 H GLN 57 H GLN 57 1.639 18.359 -2.469 460 HA GLN 57 HA GLN 57 0.646 18.893 -4.441 461 1HB GLN 57 2HB GLN 57 2.338 21.125 -3.864 462 2HB GLN 57 1HB GLN 57 2.385 20.819 -5.595 463 1HG GLN 57 2HG GLN 57 0.465 21.890 -5.796 464 2HG GLN 57 1HG GLN 57 -0.309 20.621 -4.848 465 1HE2 GLN 57 1HE2 GLN 57 -1.062 23.360 -4.913 466 2HE2 GLN 57 2HE2 GLN 57 -0.857 23.996 -3.321 467 H GLU 58 H GLU 58 2.502 16.773 -4.315 468 HA GLU 58 HA GLU 58 3.246 15.221 -5.827 469 1HB GLU 58 2HB GLU 58 2.000 16.999 -7.531 470 2HB GLU 58 1HB GLU 58 3.647 16.959 -8.146 471 1HG GLU 58 2HG GLU 58 2.609 14.314 -7.544 472 2HG GLU 58 1HG GLU 58 1.637 15.177 -8.734 473 H ASN 59 H ASN 59 5.258 14.905 -7.292 474 HA ASN 59 HA ASN 59 7.476 16.128 -5.878 475 1HB ASN 59 2HB ASN 59 7.071 13.598 -6.750 476 2HB ASN 59 1HB ASN 59 8.018 14.238 -8.090 477 1HD2 ASN 59 1HD2 ASN 59 7.981 13.637 -4.647 478 2HD2 ASN 59 2HD2 ASN 59 9.694 13.653 -4.430 479 H GLN 60 H GLN 60 6.187 15.986 -9.160 480 HA GLN 60 HA GLN 60 8.324 17.692 -10.141 481 1HB GLN 60 2HB GLN 60 5.944 16.600 -11.651 482 2HB GLN 60 1HB GLN 60 7.398 17.306 -12.342 483 1HG GLN 60 2HG GLN 60 8.647 15.412 -11.167 484 2HG GLN 60 1HG GLN 60 7.061 14.668 -10.967 485 1HE2 GLN 60 1HE2 GLN 60 8.700 16.417 -13.588 486 2HE2 GLN 60 2HE2 GLN 60 8.407 15.220 -14.798 487 H ALA 61 H ALA 61 5.169 18.164 -11.526 488 HA ALA 61 HA ALA 61 3.849 20.005 -11.712 489 1HB ALA 61 1HB ALA 61 4.363 21.283 -9.192 490 2HB ALA 61 2HB ALA 61 4.210 19.541 -8.968 491 3HB ALA 61 3HB ALA 61 2.912 20.446 -9.744 492 HA PRO 62 HA PRO 62 6.096 23.497 -13.155 493 1HB PRO 62 2HB PRO 62 4.293 25.241 -11.542 494 2HB PRO 62 1HB PRO 62 4.689 25.318 -13.263 495 1HG PRO 62 2HG PRO 62 2.340 24.362 -12.469 496 2HG PRO 62 1HG PRO 62 3.218 23.600 -13.811 497 1HD PRO 62 2HD PRO 62 2.926 22.693 -10.977 498 2HD PRO 62 1HD PRO 62 2.963 21.733 -12.471 499 H ALA 63 H ALA 63 5.517 23.160 -9.742 500 HA ALA 63 HA ALA 63 7.045 23.358 -8.025 501 1HB ALA 63 1HB ALA 63 8.768 23.617 -10.062 502 2HB ALA 63 2HB ALA 63 9.221 23.863 -8.376 503 3HB ALA 63 3HB ALA 63 8.849 25.250 -9.400 504 HA PRO 64 HA PRO 64 4.941 27.244 -7.025 505 1HB PRO 64 2HB PRO 64 4.515 26.691 -4.423 506 2HB PRO 64 1HB PRO 64 3.527 25.987 -5.708 507 1HG PRO 64 2HG PRO 64 5.814 24.782 -4.201 508 2HG PRO 64 1HG PRO 64 4.261 24.053 -4.648 509 1HD PRO 64 2HD PRO 64 6.568 23.618 -6.032 510 2HD PRO 64 1HD PRO 64 4.960 23.571 -6.783 511 H ASN 65 H ASN 65 5.231 28.506 -4.669 512 HA ASN 65 HA ASN 65 6.592 29.930 -3.529 513 1HB ASN 65 2HB ASN 65 7.536 27.431 -2.996 514 2HB ASN 65 1HB ASN 65 8.977 28.196 -3.659 515 1HD2 ASN 65 1HD2 ASN 65 9.581 27.658 -1.343 516 2HD2 ASN 65 2HD2 ASN 65 9.323 28.907 -0.176 517 H ILE 66 H ILE 66 6.485 30.149 -6.369 518 HA ILE 66 HA ILE 66 9.116 30.581 -7.390 519 HB ILE 66 HB ILE 66 7.845 31.815 -9.251 520 1HG1 ILE 66 2HG1 ILE 66 5.430 30.370 -8.228 521 2HG1 ILE 66 1HG1 ILE 66 5.773 31.987 -7.634 522 1HG2 ILE 66 1HG2 ILE 66 8.692 29.598 -9.564 523 2HG2 ILE 66 2HG2 ILE 66 7.054 29.663 -10.214 524 3HG2 ILE 66 3HG2 ILE 66 7.352 28.907 -8.650 525 1HD1 ILE 66 1HD1 ILE 66 4.295 31.449 -9.814 526 2HD1 ILE 66 2HD1 ILE 66 5.882 31.685 -10.547 527 3HD1 ILE 66 3HD1 ILE 66 5.169 32.959 -9.557 528 H THR 67 H THR 67 6.484 32.806 -6.456 529 HA THR 67 HA THR 67 6.565 34.886 -5.532 530 HB THR 67 HB THR 67 9.501 35.202 -5.651 531 HG1 THR 67 1HG THR 67 9.961 33.433 -4.646 532 1HG2 THR 67 1HG2 THR 67 9.207 35.872 -3.318 533 2HG2 THR 67 2HG2 THR 67 7.494 35.467 -3.426 534 3HG2 THR 67 3HG2 THR 67 8.154 36.778 -4.403 535 H GLY 68 H GLY 68 7.737 33.995 -8.511 536 1HA GLY 68 2HA GLY 68 7.060 36.443 -9.732 537 2HA GLY 68 1HA GLY 68 8.809 36.326 -9.596 538 H ALA 69 H ALA 69 6.931 36.276 -11.938 539 HA ALA 69 HA ALA 69 8.340 34.440 -13.529 540 1HB ALA 69 1HB ALA 69 7.251 32.613 -12.616 541 2HB ALA 69 2HB ALA 69 6.267 32.971 -14.035 542 3HB ALA 69 3HB ALA 69 5.727 33.481 -12.435 543 H LEU 70 H LEU 70 5.379 36.269 -13.035 544 HA LEU 70 HA LEU 70 4.590 36.472 -15.731 545 1HB LEU 70 2HB LEU 70 3.349 37.090 -13.513 546 2HB LEU 70 1HB LEU 70 4.092 38.660 -13.749 547 HG LEU 70 HG LEU 70 2.542 37.455 -15.998 548 1HD1 LEU 70 1HD1 LEU 70 0.592 38.843 -14.938 549 2HD1 LEU 70 2HD1 LEU 70 1.434 38.485 -13.431 550 3HD1 LEU 70 3HD1 LEU 70 0.864 37.170 -14.459 551 1HD2 LEU 70 1HD2 LEU 70 1.960 39.929 -16.227 552 2HD2 LEU 70 2HD2 LEU 70 3.622 39.453 -16.570 553 3HD2 LEU 70 3HD2 LEU 70 3.222 40.213 -15.030 554 H GLU 71 H GLU 71 6.499 38.655 -13.675 555 HA GLU 71 HA GLU 71 8.214 39.449 -15.759 556 1HB GLU 71 2HB GLU 71 5.881 40.638 -16.195 557 2HB GLU 71 1HB GLU 71 6.498 41.762 -14.993 558 1HG GLU 71 2HG GLU 71 7.962 42.667 -16.413 559 2HG GLU 71 1HG GLU 71 8.423 41.103 -17.085 560 H HIS 72 H HIS 72 9.762 41.075 -15.089 561 HA HIS 72 HA HIS 72 9.795 41.508 -12.175 562 1HB HIS 72 2HB HIS 72 11.541 39.878 -13.601 563 2HB HIS 72 1HB HIS 72 12.446 41.371 -13.375 564 HD1 HIS 72 1HD HIS 72 12.742 38.429 -11.931 565 HD2 HIS 72 2HD HIS 72 11.400 42.003 -10.293 566 HE1 HIS 72 1HE HIS 72 13.107 38.212 -9.451 567 HE2 HIS 72 2HE HIS 72 12.216 40.358 -8.474 568 H HIS 73 H HIS 73 9.823 43.587 -11.657 569 HA HIS 73 HA HIS 73 11.551 45.476 -12.879 570 1HB HIS 73 2HB HIS 73 9.355 45.097 -14.409 571 2HB HIS 73 1HB HIS 73 8.757 46.350 -13.326 572 HD1 HIS 73 1HD HIS 73 9.123 46.957 -16.298 573 HD2 HIS 73 2HD HIS 73 12.038 47.660 -13.423 574 HE1 HIS 73 1HE HIS 73 10.612 48.734 -17.271 575 HE2 HIS 73 2HE HIS 73 12.311 49.210 -15.474 576 H HIS 74 H HIS 74 8.267 45.727 -11.508 577 HA HIS 74 HA HIS 74 9.116 47.757 -9.662 578 1HB HIS 74 2HB HIS 74 6.735 47.508 -8.802 579 2HB HIS 74 1HB HIS 74 6.904 47.993 -10.486 580 HD1 HIS 74 1HD HIS 74 5.270 46.838 -11.919 581 HD2 HIS 74 2HD HIS 74 6.504 44.438 -8.758 582 HE1 HIS 74 1HE HIS 74 4.024 44.671 -12.194 583 HE2 HIS 74 2HE HIS 74 4.721 43.266 -10.221 584 H HIS 75 H HIS 75 8.199 47.449 -7.295 585 HA HIS 75 HA HIS 75 8.486 46.470 -5.264 586 1HB HIS 75 2HB HIS 75 7.343 44.503 -6.901 587 2HB HIS 75 1HB HIS 75 8.660 43.692 -6.063 588 HD1 HIS 75 1HD HIS 75 7.993 42.716 -3.902 589 HD2 HIS 75 2HD HIS 75 5.659 46.009 -4.885 590 HE1 HIS 75 1HE HIS 75 6.296 42.911 -2.057 591 HE2 HIS 75 2HE HIS 75 4.850 44.869 -2.709 592 H HIS 76 H HIS 76 10.797 46.915 -7.230 593 HA HIS 76 HA HIS 76 12.857 46.043 -5.489 594 1HB HIS 76 2HB HIS 76 12.080 44.023 -7.125 595 2HB HIS 76 1HB HIS 76 13.310 44.784 -8.127 596 HD1 HIS 76 1HD HIS 76 14.966 42.845 -7.868 597 HD2 HIS 76 2HD HIS 76 13.821 44.556 -4.260 598 HE1 HIS 76 1HE HIS 76 16.551 41.914 -6.150 599 HE2 HIS 76 2HE HIS 76 15.795 42.912 -3.963 600 H HIS 77 H HIS 77 12.573 48.499 -6.024 601 HA HIS 77 HA HIS 77 13.526 50.390 -6.852 602 1HB HIS 77 2HB HIS 77 15.607 48.325 -7.489 603 2HB HIS 77 1HB HIS 77 15.807 49.980 -8.059 604 HD1 HIS 77 1HD HIS 77 14.153 50.340 -4.965 605 HD2 HIS 77 2HD HIS 77 18.056 49.427 -6.059 606 HE1 HIS 77 1HE HIS 77 15.560 50.866 -2.946 607 HE2 HIS 77 2HE HIS 77 17.904 50.221 -3.603 Start of MODEL 4 1 1H ALA 1 1HT ALA 1 -4.813 -53.435 7.168 2 2H ALA 1 2HT ALA 1 -3.555 -53.119 6.044 3 3H ALA 1 3HT ALA 1 -5.099 -53.625 5.489 4 HA ALA 1 HA ALA 1 -5.267 -51.456 5.098 5 1HB ALA 1 1HB ALA 1 -6.338 -50.398 7.227 6 2HB ALA 1 2HB ALA 1 -6.193 -52.031 7.877 7 3HB ALA 1 3HB ALA 1 -7.135 -51.745 6.415 8 H ASP 2 H ASP 2 -3.534 -50.227 4.666 9 HA ASP 2 HA ASP 2 -1.413 -49.690 6.414 10 1HB ASP 2 2HB ASP 2 -2.394 -48.443 3.872 11 2HB ASP 2 1HB ASP 2 -1.104 -47.659 4.781 12 H LYS 3 H LYS 3 -4.490 -48.106 5.947 13 HA LYS 3 HA LYS 3 -4.023 -45.635 7.112 14 1HB LYS 3 2HB LYS 3 -6.342 -47.306 6.541 15 2HB LYS 3 1HB LYS 3 -6.571 -46.321 7.978 16 1HG LYS 3 2HG LYS 3 -6.902 -44.497 6.766 17 2HG LYS 3 1HG LYS 3 -5.416 -44.761 5.851 18 1HD LYS 3 2HD LYS 3 -7.996 -46.212 5.288 19 2HD LYS 3 1HD LYS 3 -7.532 -44.710 4.486 20 1HE LYS 3 2HE LYS 3 -5.289 -46.215 4.160 21 2HE LYS 3 1HE LYS 3 -6.549 -47.448 4.093 22 1HZ LYS 3 1HZ LYS 3 -7.445 -46.564 2.203 23 2HZ LYS 3 2HZ LYS 3 -5.815 -46.182 1.954 24 3HZ LYS 3 3HZ LYS 3 -6.884 -44.998 2.515 25 H THR 4 H THR 4 -3.225 -45.137 9.045 26 HA THR 4 HA THR 4 -4.311 -46.196 11.450 27 HB THR 4 HB THR 4 -1.796 -46.954 12.084 28 HG1 THR 4 1HG THR 4 -0.804 -47.894 10.414 29 1HG2 THR 4 1HG2 THR 4 -2.844 -48.839 12.545 30 2HG2 THR 4 2HG2 THR 4 -2.992 -49.213 10.828 31 3HG2 THR 4 3HG2 THR 4 -4.240 -48.263 11.634 32 H ILE 5 H ILE 5 -1.573 -44.543 9.940 33 HA ILE 5 HA ILE 5 -0.182 -42.896 10.750 34 HB ILE 5 HB ILE 5 -1.452 -40.782 11.139 35 1HG1 ILE 5 2HG1 ILE 5 -3.976 -42.240 10.459 36 2HG1 ILE 5 1HG1 ILE 5 -3.445 -42.207 12.138 37 1HG2 ILE 5 1HG2 ILE 5 -1.399 -42.449 8.806 38 2HG2 ILE 5 2HG2 ILE 5 -1.258 -40.696 8.935 39 3HG2 ILE 5 3HG2 ILE 5 -2.850 -41.445 8.803 40 1HD1 ILE 5 1HD1 ILE 5 -4.129 -39.868 10.386 41 2HD1 ILE 5 2HD1 ILE 5 -3.351 -39.714 11.961 42 3HD1 ILE 5 3HD1 ILE 5 -4.963 -40.418 11.838 43 H PHE 6 H PHE 6 -1.893 -41.090 12.909 44 HA PHE 6 HA PHE 6 -1.850 -40.789 15.150 45 1HB PHE 6 2HB PHE 6 -1.904 -43.725 14.875 46 2HB PHE 6 1HB PHE 6 -1.275 -43.137 16.410 47 HD1 PHE 6 1HD PHE 6 -2.708 -41.521 17.742 48 HD2 PHE 6 2HD PHE 6 -4.195 -43.795 14.468 49 HE1 PHE 6 1HE PHE 6 -5.005 -41.183 18.555 50 HE2 PHE 6 2HE PHE 6 -6.494 -43.460 15.273 51 HZ PHE 6 HZ PHE 6 -6.903 -42.153 17.319 52 H ASN 7 H ASN 7 0.467 -43.460 15.228 53 HA ASN 7 HA ASN 7 2.393 -41.837 16.577 54 1HB ASN 7 2HB ASN 7 3.799 -43.843 16.555 55 2HB ASN 7 1HB ASN 7 2.160 -44.231 17.069 56 1HD2 ASN 7 1HD2 ASN 7 4.630 -44.812 14.800 57 2HD2 ASN 7 2HD2 ASN 7 3.780 -45.951 13.817 58 H ASP 8 H ASP 8 1.961 -42.980 13.292 59 HA ASP 8 HA ASP 8 4.552 -42.266 12.366 60 1HB ASP 8 2HB ASP 8 2.047 -43.253 11.197 61 2HB ASP 8 1HB ASP 8 2.965 -42.199 10.125 62 H HIS 9 H HIS 9 1.375 -40.695 12.065 63 HA HIS 9 HA HIS 9 0.811 -38.483 11.997 64 1HB HIS 9 2HB HIS 9 3.789 -37.950 12.106 65 2HB HIS 9 1HB HIS 9 2.540 -36.714 12.157 66 HD1 HIS 9 1HD HIS 9 0.650 -37.477 14.217 67 HD2 HIS 9 2HD HIS 9 4.685 -38.385 14.610 68 HE1 HIS 9 1HE HIS 9 1.026 -37.815 16.680 69 HE2 HIS 9 2HE HIS 9 3.467 -38.401 16.893 70 H LEU 10 H LEU 10 1.467 -36.435 10.507 71 HA LEU 10 HA LEU 10 1.709 -35.580 8.406 72 1HB LEU 10 2HB LEU 10 2.727 -38.264 7.490 73 2HB LEU 10 1HB LEU 10 2.968 -36.706 6.724 74 HG LEU 10 HG LEU 10 4.191 -37.638 9.321 75 1HD1 LEU 10 1HD1 LEU 10 6.299 -37.409 8.088 76 2HD1 LEU 10 2HD1 LEU 10 5.394 -36.998 6.630 77 3HD1 LEU 10 3HD1 LEU 10 5.230 -38.601 7.348 78 1HD2 LEU 10 1HD2 LEU 10 5.432 -35.466 9.186 79 2HD2 LEU 10 2HD2 LEU 10 3.717 -35.315 9.566 80 3HD2 LEU 10 3HD2 LEU 10 4.294 -34.965 7.936 81 H ASN 11 H ASN 11 -0.462 -35.317 8.073 82 HA ASN 11 HA ASN 11 -2.221 -37.429 7.359 83 1HB ASN 11 2HB ASN 11 -3.810 -35.598 6.796 84 2HB ASN 11 1HB ASN 11 -3.100 -35.428 8.398 85 1HD2 ASN 11 1HD2 ASN 11 -3.992 -33.748 5.784 86 2HD2 ASN 11 2HD2 ASN 11 -2.896 -32.416 5.879 87 H THR 12 H THR 12 -0.144 -35.302 5.563 88 HA THR 12 HA THR 12 0.417 -35.173 3.375 89 HB THR 12 HB THR 12 -0.853 -37.915 3.226 90 HG1 THR 12 1HG THR 12 1.737 -37.027 3.907 91 1HG2 THR 12 1HG2 THR 12 1.109 -36.560 1.396 92 2HG2 THR 12 2HG2 THR 12 -0.520 -37.104 0.999 93 3HG2 THR 12 3HG2 THR 12 0.738 -38.283 1.369 94 H ASN 13 H ASN 13 -2.161 -37.144 2.154 95 HA ASN 13 HA ASN 13 -3.760 -36.592 0.604 96 1HB ASN 13 2HB ASN 13 -4.616 -36.169 3.127 97 2HB ASN 13 1HB ASN 13 -4.889 -34.573 2.440 98 1HD2 ASN 13 1HD2 ASN 13 -5.923 -34.719 0.157 99 2HD2 ASN 13 2HD2 ASN 13 -7.291 -35.767 0.050 100 HA PRO 14 HA PRO 14 -1.683 -32.987 -1.308 101 1HB PRO 14 2HB PRO 14 -3.349 -34.062 -3.534 102 2HB PRO 14 1HB PRO 14 -1.656 -33.554 -3.536 103 1HG PRO 14 2HG PRO 14 -2.299 -36.138 -3.544 104 2HG PRO 14 1HG PRO 14 -0.919 -35.543 -2.602 105 1HD PRO 14 2HD PRO 14 -3.627 -36.385 -1.679 106 2HD PRO 14 1HD PRO 14 -2.051 -36.571 -0.882 107 H LYS 15 H LYS 15 -5.102 -33.904 -1.715 108 HA LYS 15 HA LYS 15 -6.088 -31.505 -2.659 109 1HB LYS 15 2HB LYS 15 -7.189 -33.905 -1.877 110 2HB LYS 15 1HB LYS 15 -7.880 -32.770 -0.725 111 1HG LYS 15 2HG LYS 15 -9.431 -32.488 -2.321 112 2HG LYS 15 1HG LYS 15 -8.231 -31.399 -3.018 113 1HD LYS 15 2HD LYS 15 -7.407 -33.761 -4.042 114 2HD LYS 15 1HD LYS 15 -9.145 -34.047 -3.929 115 1HE LYS 15 2HE LYS 15 -9.131 -31.568 -4.989 116 2HE LYS 15 1HE LYS 15 -7.630 -32.202 -5.660 117 1HZ LYS 15 1HZ LYS 15 -10.361 -32.894 -6.280 118 2HZ LYS 15 2HZ LYS 15 -9.347 -34.232 -6.077 119 3HZ LYS 15 3HZ LYS 15 -8.963 -33.048 -7.223 120 H THR 16 H THR 16 -5.742 -32.488 0.759 121 HA THR 16 HA THR 16 -6.725 -29.988 1.728 122 HB THR 16 HB THR 16 -6.791 -32.213 2.953 123 HG1 THR 16 1HG THR 16 -6.547 -31.171 4.967 124 1HG2 THR 16 1HG2 THR 16 -3.918 -31.811 2.980 125 2HG2 THR 16 2HG2 THR 16 -4.872 -33.242 3.352 126 3HG2 THR 16 3HG2 THR 16 -4.598 -32.023 4.590 127 H ASN 17 H ASN 17 -3.565 -31.216 0.912 128 HA ASN 17 HA ASN 17 -1.999 -29.351 2.315 129 1HB ASN 17 2HB ASN 17 -1.527 -31.001 -0.155 130 2HB ASN 17 1HB ASN 17 -0.312 -29.862 0.420 131 1HD2 ASN 17 1HD2 ASN 17 -0.231 -32.775 0.224 132 2HD2 ASN 17 2HD2 ASN 17 0.112 -33.349 1.817 133 H LEU 18 H LEU 18 -2.945 -29.339 -1.126 134 HA LEU 18 HA LEU 18 -1.960 -26.764 -1.667 135 1HB LEU 18 2HB LEU 18 -3.104 -28.818 -3.127 136 2HB LEU 18 1HB LEU 18 -4.274 -27.520 -3.270 137 HG LEU 18 HG LEU 18 -2.000 -26.162 -3.815 138 1HD1 LEU 18 1HD1 LEU 18 -0.434 -27.399 -4.990 139 2HD1 LEU 18 2HD1 LEU 18 -1.531 -28.761 -5.220 140 3HD1 LEU 18 3HD1 LEU 18 -0.824 -28.457 -3.634 141 1HD2 LEU 18 1HD2 LEU 18 -2.968 -25.861 -5.818 142 2HD2 LEU 18 2HD2 LEU 18 -4.282 -26.817 -5.132 143 3HD2 LEU 18 3HD2 LEU 18 -3.064 -27.590 -6.147 144 H ARG 19 H ARG 19 -5.134 -27.899 -0.612 145 HA ARG 19 HA ARG 19 -6.515 -25.472 -0.894 146 1HB ARG 19 2HB ARG 19 -7.416 -27.847 -0.390 147 2HB ARG 19 1HB ARG 19 -7.118 -27.442 1.295 148 1HG ARG 19 2HG ARG 19 -8.631 -25.569 1.156 149 2HG ARG 19 1HG ARG 19 -8.862 -25.848 -0.570 150 1HD ARG 19 2HD ARG 19 -10.027 -27.858 -0.196 151 2HD ARG 19 1HD ARG 19 -9.492 -27.949 1.482 152 HE ARG 19 HE ARG 19 -10.925 -25.647 1.392 153 1HH1 ARG 19 1HH1 ARG 19 -11.604 -28.946 0.473 154 2HH1 ARG 19 2HH1 ARG 19 -13.301 -28.817 0.793 155 1HH2 ARG 19 1HH2 ARG 19 -13.154 -25.475 1.813 156 2HH2 ARG 19 2HH2 ARG 19 -14.182 -26.845 1.557 157 H LEU 20 H LEU 20 -4.917 -26.877 1.960 158 HA LEU 20 HA LEU 20 -5.424 -24.728 3.694 159 1HB LEU 20 2HB LEU 20 -3.577 -27.047 3.655 160 2HB LEU 20 1HB LEU 20 -3.158 -25.728 4.730 161 HG LEU 20 HG LEU 20 -5.946 -26.408 5.036 162 1HD1 LEU 20 1HD1 LEU 20 -5.964 -28.619 4.991 163 2HD1 LEU 20 2HD1 LEU 20 -4.716 -28.654 6.236 164 3HD1 LEU 20 3HD1 LEU 20 -4.262 -28.647 4.532 165 1HD2 LEU 20 1HD2 LEU 20 -4.370 -25.183 6.601 166 2HD2 LEU 20 2HD2 LEU 20 -3.716 -26.767 7.019 167 3HD2 LEU 20 3HD2 LEU 20 -5.414 -26.405 7.328 168 H TRP 21 H TRP 21 -2.746 -25.374 1.481 169 HA TRP 21 HA TRP 21 -1.057 -23.288 2.301 170 1HB TRP 21 2HB TRP 21 -0.979 -25.295 0.379 171 2HB TRP 21 1HB TRP 21 -0.931 -23.807 -0.562 172 HD1 TRP 21 HD TRP 21 1.044 -21.976 0.426 173 HE1 TRP 21 1HE TRP 21 3.467 -22.544 1.080 174 HE3 TRP 21 3HE TRP 21 0.524 -27.006 1.177 175 HZ2 TRP 21 2HZ TRP 21 4.961 -24.823 1.818 176 HZ3 TRP 21 3HZ TRP 21 2.500 -28.307 1.855 177 HH2 TRP 21 HH TRP 21 4.672 -27.237 2.168 178 H VAL 22 H VAL 22 -3.363 -23.380 -0.423 179 HA VAL 22 HA VAL 22 -3.035 -20.690 -1.166 180 HB VAL 22 HB VAL 22 -5.510 -22.379 -1.551 181 1HG1 VAL 22 1HG1 VAL 22 -4.752 -19.695 -2.378 182 2HG1 VAL 22 2HG1 VAL 22 -6.328 -20.485 -2.406 183 3HG1 VAL 22 3HG1 VAL 22 -5.198 -20.725 -3.738 184 1HG2 VAL 22 1HG2 VAL 22 -4.087 -22.339 -3.930 185 2HG2 VAL 22 2HG2 VAL 22 -4.221 -23.694 -2.810 186 3HG2 VAL 22 3HG2 VAL 22 -2.852 -22.589 -2.696 187 H ALA 23 H ALA 23 -5.376 -22.248 1.005 188 HA ALA 23 HA ALA 23 -6.947 -19.989 1.527 189 1HB ALA 23 1HB ALA 23 -8.072 -21.331 2.922 190 2HB ALA 23 2HB ALA 23 -6.620 -21.792 3.809 191 3HB ALA 23 3HB ALA 23 -7.027 -22.605 2.299 192 H PHE 24 H PHE 24 -4.182 -21.298 3.350 193 HA PHE 24 HA PHE 24 -4.124 -19.287 5.311 194 1HB PHE 24 2HB PHE 24 -2.785 -21.628 4.927 195 2HB PHE 24 1HB PHE 24 -1.521 -20.458 4.564 196 HD1 PHE 24 1HD PHE 24 -1.155 -18.585 6.311 197 HD2 PHE 24 2HD PHE 24 -3.218 -22.219 7.115 198 HE1 PHE 24 1HE PHE 24 -0.749 -18.278 8.718 199 HE2 PHE 24 2HE PHE 24 -2.817 -21.917 9.524 200 HZ PHE 24 HZ PHE 24 -1.581 -19.945 10.329 201 H GLN 25 H GLN 25 -2.448 -19.569 2.202 202 HA GLN 25 HA GLN 25 -0.843 -17.276 2.468 203 1HB GLN 25 2HB GLN 25 -0.675 -19.157 0.739 204 2HB GLN 25 1HB GLN 25 -1.922 -18.294 -0.151 205 1HG GLN 25 2HG GLN 25 -0.221 -16.281 0.222 206 2HG GLN 25 1HG GLN 25 0.924 -17.622 0.269 207 1HE2 GLN 25 1HE2 GLN 25 -1.534 -16.031 -1.655 208 2HE2 GLN 25 2HE2 GLN 25 -0.987 -16.616 -3.186 209 H MET 26 H MET 26 -4.039 -17.724 0.992 210 HA MET 26 HA MET 26 -4.334 -15.038 0.147 211 1HB MET 26 2HB MET 26 -5.813 -17.444 -0.041 212 2HB MET 26 1HB MET 26 -6.882 -16.244 0.671 213 1HG MET 26 2HG MET 26 -7.290 -15.929 -1.550 214 2HG MET 26 1HG MET 26 -6.017 -14.741 -1.276 215 1HE MET 26 1HE MET 26 -4.334 -14.423 -3.042 216 2HE MET 26 2HE MET 26 -3.231 -15.716 -3.516 217 3HE MET 26 3HE MET 26 -3.403 -15.283 -1.815 218 H MET 27 H MET 27 -5.416 -16.773 3.042 219 HA MET 27 HA MET 27 -6.884 -14.640 4.153 220 1HB MET 27 2HB MET 27 -5.614 -17.091 5.357 221 2HB MET 27 1HB MET 27 -6.485 -15.919 6.338 222 1HG MET 27 2HG MET 27 -8.362 -16.307 4.539 223 2HG MET 27 1HG MET 27 -7.507 -17.830 4.307 224 1HE MET 27 1HE MET 27 -10.110 -18.820 5.045 225 2HE MET 27 2HE MET 27 -10.542 -17.130 5.305 226 3HE MET 27 3HE MET 27 -10.837 -18.321 6.573 227 H LYS 28 H LYS 28 -3.616 -15.820 4.978 228 HA LYS 28 HA LYS 28 -3.030 -13.670 6.714 229 1HB LYS 28 2HB LYS 28 -1.682 -16.014 5.727 230 2HB LYS 28 1HB LYS 28 -0.595 -14.636 5.663 231 1HG LYS 28 2HG LYS 28 -1.587 -14.298 8.127 232 2HG LYS 28 1HG LYS 28 -1.732 -16.052 7.985 233 1HD LYS 28 2HD LYS 28 0.555 -16.351 7.760 234 2HD LYS 28 1HD LYS 28 0.820 -14.694 7.216 235 1HE LYS 28 2HE LYS 28 0.765 -13.840 9.353 236 2HE LYS 28 1HE LYS 28 -0.217 -15.168 9.971 237 1HZ LYS 28 1HZ LYS 28 1.619 -16.561 10.112 238 2HZ LYS 28 2HZ LYS 28 2.229 -15.075 10.637 239 3HZ LYS 28 3HZ LYS 28 2.559 -15.617 9.069 240 H GLY 29 H GLY 29 -2.055 -14.316 3.350 241 1HA GLY 29 2HA GLY 29 -0.572 -11.989 2.942 242 2HA GLY 29 1HA GLY 29 -1.380 -12.900 1.676 243 H ALA 30 H ALA 30 -3.756 -12.454 1.425 244 HA ALA 30 HA ALA 30 -4.176 -9.727 0.978 245 1HB ALA 30 1HB ALA 30 -6.571 -10.374 0.646 246 2HB ALA 30 2HB ALA 30 -6.140 -12.003 1.166 247 3HB ALA 30 3HB ALA 30 -5.415 -11.320 -0.289 248 H GLY 31 H GLY 31 -4.793 -11.703 3.788 249 1HA GLY 31 2HA GLY 31 -6.646 -10.039 5.100 250 2HA GLY 31 1HA GLY 31 -5.574 -11.185 5.886 251 H TRP 32 H TRP 32 -3.341 -10.456 6.310 252 HA TRP 32 HA TRP 32 -3.405 -7.861 7.503 253 1HB TRP 32 2HB TRP 32 -1.674 -8.589 8.745 254 2HB TRP 32 1HB TRP 32 -2.085 -10.156 8.071 255 HD1 TRP 32 HD TRP 32 -0.451 -11.115 6.128 256 HE1 TRP 32 1HE TRP 32 2.008 -10.601 5.588 257 HE3 TRP 32 3HE TRP 32 0.050 -6.754 8.741 258 HZ2 TRP 32 2HZ TRP 32 3.915 -8.611 6.197 259 HZ3 TRP 32 3HZ TRP 32 2.227 -5.608 8.714 260 HH2 TRP 32 HH TRP 32 4.120 -6.519 7.469 261 H ALA 33 H ALA 33 -1.444 -9.258 4.860 262 HA ALA 33 HA ALA 33 -0.019 -6.934 4.250 263 1HB ALA 33 1HB ALA 33 -0.827 -8.767 2.043 264 2HB ALA 33 2HB ALA 33 0.192 -9.393 3.339 265 3HB ALA 33 3HB ALA 33 0.735 -8.020 2.375 266 H GLY 34 H GLY 34 -3.180 -8.081 3.163 267 1HA GLY 34 2HA GLY 34 -3.639 -6.024 1.272 268 2HA GLY 34 1HA GLY 34 -4.877 -7.007 2.042 269 H GLY 35 H GLY 35 -4.403 -6.320 4.732 270 1HA GLY 35 2HA GLY 35 -5.922 -3.962 4.955 271 2HA GLY 35 1HA GLY 35 -5.032 -4.723 6.266 272 H VAL 36 H VAL 36 -2.452 -4.510 5.401 273 HA VAL 36 HA VAL 36 -1.822 -1.828 6.067 274 HB VAL 36 HB VAL 36 0.014 -3.911 4.874 275 1HG1 VAL 36 1HG1 VAL 36 0.419 -1.268 6.184 276 2HG1 VAL 36 2HG1 VAL 36 1.275 -2.000 4.826 277 3HG1 VAL 36 3HG1 VAL 36 1.607 -2.540 6.472 278 1HG2 VAL 36 1HG2 VAL 36 0.161 -3.547 7.752 279 2HG2 VAL 36 2HG2 VAL 36 0.043 -5.028 6.802 280 3HG2 VAL 36 3HG2 VAL 36 -1.417 -4.137 7.228 281 H PHE 37 H PHE 37 -1.371 -3.680 3.059 282 HA PHE 37 HA PHE 37 -0.355 -1.584 1.516 283 1HB PHE 37 2HB PHE 37 -0.546 -4.163 1.041 284 2HB PHE 37 1HB PHE 37 -2.057 -3.703 0.263 285 HD1 PHE 37 2HD PHE 37 1.594 -3.430 0.144 286 HD2 PHE 37 1HD PHE 37 -2.070 -2.442 -1.784 287 HE1 PHE 37 2HE PHE 37 2.834 -2.816 -1.890 288 HE2 PHE 37 1HE PHE 37 -0.836 -1.826 -3.822 289 HZ PHE 37 HZ PHE 37 1.620 -2.012 -3.876 290 H PHE 38 H PHE 38 -3.678 -2.902 1.464 291 HA PHE 38 HA PHE 38 -4.711 -0.833 -0.141 292 1HB PHE 38 2HB PHE 38 -5.703 -3.202 1.040 293 2HB PHE 38 1HB PHE 38 -6.752 -1.900 1.584 294 HD1 PHE 38 1HD PHE 38 -4.982 -2.419 -1.650 295 HD2 PHE 38 2HD PHE 38 -8.706 -2.070 0.378 296 HE1 PHE 38 1HE PHE 38 -6.159 -2.484 -3.810 297 HE2 PHE 38 2HE PHE 38 -9.891 -2.135 -1.779 298 HZ PHE 38 HZ PHE 38 -8.617 -2.343 -3.876 299 H GLY 39 H GLY 39 -4.760 -1.311 3.386 300 1HA GLY 39 2HA GLY 39 -6.229 0.999 4.014 301 2HA GLY 39 1HA GLY 39 -5.131 0.166 5.102 302 H THR 40 H THR 40 -2.722 0.593 4.536 303 HA THR 40 HA THR 40 -2.120 3.222 5.067 304 HB THR 40 HB THR 40 -0.320 1.348 3.531 305 HG1 THR 40 1HG THR 40 -0.326 1.521 6.329 306 1HG2 THR 40 1HG2 THR 40 1.354 2.498 5.169 307 2HG2 THR 40 2HG2 THR 40 0.148 3.784 5.170 308 3HG2 THR 40 3HG2 THR 40 0.896 3.278 3.656 309 H LEU 41 H LEU 41 -1.804 1.647 1.876 310 HA LEU 41 HA LEU 41 -1.053 3.897 0.441 311 1HB LEU 41 2HB LEU 41 -1.421 1.306 -0.178 312 2HB LEU 41 1HB LEU 41 -2.840 1.993 -0.945 313 HG LEU 41 HG LEU 41 -1.368 3.526 -2.220 314 1HD1 LEU 41 1HD1 LEU 41 1.117 2.474 -2.165 315 2HD1 LEU 41 2HD1 LEU 41 0.653 2.295 -0.472 316 3HD1 LEU 41 3HD1 LEU 41 0.620 3.887 -1.232 317 1HD2 LEU 41 1HD2 LEU 41 -0.086 1.127 -3.073 318 2HD2 LEU 41 2HD2 LEU 41 -1.450 1.974 -3.803 319 3HD2 LEU 41 3HD2 LEU 41 -1.734 0.744 -2.573 320 H LEU 42 H LEU 42 -4.315 2.775 1.265 321 HA LEU 42 HA LEU 42 -5.689 4.652 -0.346 322 1HB LEU 42 2HB LEU 42 -6.419 2.551 1.312 323 2HB LEU 42 1HB LEU 42 -7.098 3.954 2.102 324 HG LEU 42 HG LEU 42 -8.714 2.906 0.606 325 1HD1 LEU 42 1HD1 LEU 42 -7.786 5.555 -0.487 326 2HD1 LEU 42 2HD1 LEU 42 -8.748 5.351 0.976 327 3HD1 LEU 42 3HD1 LEU 42 -9.409 4.874 -0.588 328 1HD2 LEU 42 1HD2 LEU 42 -6.773 2.183 -0.988 329 2HD2 LEU 42 2HD2 LEU 42 -7.109 3.728 -1.769 330 3HD2 LEU 42 3HD2 LEU 42 -8.381 2.513 -1.634 331 H LEU 43 H LEU 43 -4.599 4.723 3.017 332 HA LEU 43 HA LEU 43 -5.800 7.191 3.679 333 1HB LEU 43 2HB LEU 43 -3.824 5.373 4.877 334 2HB LEU 43 1HB LEU 43 -3.638 7.056 5.337 335 HG LEU 43 HG LEU 43 -6.294 6.764 5.727 336 1HD1 LEU 43 1HD1 LEU 43 -6.197 4.378 5.102 337 2HD1 LEU 43 2HD1 LEU 43 -6.751 4.635 6.757 338 3HD1 LEU 43 3HD1 LEU 43 -5.100 4.095 6.453 339 1HD2 LEU 43 1HD2 LEU 43 -5.567 6.178 8.153 340 2HD2 LEU 43 2HD2 LEU 43 -5.068 7.712 7.440 341 3HD2 LEU 43 3HD2 LEU 43 -3.933 6.364 7.516 342 H ILE 44 H ILE 44 -2.435 6.411 2.755 343 HA ILE 44 HA ILE 44 -1.553 9.084 2.777 344 HB ILE 44 HB ILE 44 0.260 8.222 1.188 345 1HG1 ILE 44 2HG1 ILE 44 -0.081 5.465 1.879 346 2HG1 ILE 44 1HG1 ILE 44 -1.535 6.020 1.059 347 1HG2 ILE 44 1HG2 ILE 44 0.649 6.453 3.386 348 2HG2 ILE 44 2HG2 ILE 44 -0.158 7.910 3.966 349 3HG2 ILE 44 3HG2 ILE 44 1.370 8.036 3.095 350 1HD1 ILE 44 1HD1 ILE 44 -0.470 5.673 -0.849 351 2HD1 ILE 44 2HD1 ILE 44 1.062 5.413 -0.014 352 3HD1 ILE 44 3HD1 ILE 44 0.560 7.048 -0.447 353 H GLY 45 H GLY 45 -2.810 7.040 0.157 354 1HA GLY 45 2HA GLY 45 -2.475 8.912 -1.921 355 2HA GLY 45 1HA GLY 45 -3.613 7.574 -1.924 356 H PHE 46 H PHE 46 -5.210 8.311 0.259 357 HA PHE 46 HA PHE 46 -7.007 10.104 -0.965 358 1HB PHE 46 2HB PHE 46 -7.079 8.352 1.205 359 2HB PHE 46 1HB PHE 46 -7.355 9.933 1.919 360 HD1 PHE 46 1HD PHE 46 -8.434 8.190 -1.205 361 HD2 PHE 46 2HD PHE 46 -9.561 10.390 2.259 362 HE1 PHE 46 1HE PHE 46 -10.789 8.085 -1.909 363 HE2 PHE 46 2HE PHE 46 -11.917 10.288 1.562 364 HZ PHE 46 HZ PHE 46 -12.534 9.134 -0.524 365 H PHE 47 H PHE 47 -4.826 10.504 1.809 366 HA PHE 47 HA PHE 47 -5.454 13.230 2.235 367 1HB PHE 47 2HB PHE 47 -3.247 11.413 3.139 368 2HB PHE 47 1HB PHE 47 -3.143 13.144 3.452 369 HD1 PHE 47 1HD PHE 47 -5.637 10.383 3.765 370 HD2 PHE 47 2HD PHE 47 -3.931 13.889 5.468 371 HE1 PHE 47 1HE PHE 47 -7.067 10.108 5.746 372 HE2 PHE 47 2HE PHE 47 -5.358 13.621 7.454 373 HZ PHE 47 HZ PHE 47 -6.929 11.729 7.596 374 H ARG 48 H ARG 48 -3.211 11.580 0.137 375 HA ARG 48 HA ARG 48 -1.552 13.795 -0.453 376 1HB ARG 48 2HB ARG 48 -1.712 11.075 -1.251 377 2HB ARG 48 1HB ARG 48 -1.735 12.044 -2.714 378 1HG ARG 48 2HG ARG 48 0.488 11.983 -2.539 379 2HG ARG 48 1HG ARG 48 0.265 13.240 -1.321 380 1HD ARG 48 2HD ARG 48 0.967 11.899 0.317 381 2HD ARG 48 1HD ARG 48 -0.077 10.585 -0.213 382 HE ARG 48 HE ARG 48 1.676 9.954 -1.783 383 1HH1 ARG 48 1HH1 ARG 48 2.605 12.102 0.822 384 2HH1 ARG 48 2HH1 ARG 48 4.273 11.653 0.751 385 1HH2 ARG 48 1HH2 ARG 48 3.866 9.378 -1.867 386 2HH2 ARG 48 2HH2 ARG 48 4.991 10.110 -0.773 387 H VAL 49 H VAL 49 -4.350 12.393 -2.158 388 HA VAL 49 HA VAL 49 -4.379 14.419 -4.163 389 HB VAL 49 HB VAL 49 -5.327 12.211 -4.599 390 1HG1 VAL 49 1HG1 VAL 49 -7.653 12.905 -2.835 391 2HG1 VAL 49 2HG1 VAL 49 -6.268 11.992 -2.238 392 3HG1 VAL 49 3HG1 VAL 49 -7.241 11.352 -3.561 393 1HG2 VAL 49 1HG2 VAL 49 -6.150 14.356 -5.723 394 2HG2 VAL 49 2HG2 VAL 49 -7.595 14.170 -4.728 395 3HG2 VAL 49 3HG2 VAL 49 -7.152 12.913 -5.882 396 H VAL 50 H VAL 50 -6.453 13.814 -1.314 397 HA VAL 50 HA VAL 50 -8.022 16.147 -1.668 398 HB VAL 50 HB VAL 50 -7.530 14.649 0.910 399 1HG1 VAL 50 1HG1 VAL 50 -9.972 16.222 0.143 400 2HG1 VAL 50 2HG1 VAL 50 -8.601 16.961 0.971 401 3HG1 VAL 50 3HG1 VAL 50 -9.491 15.646 1.739 402 1HG2 VAL 50 1HG2 VAL 50 -9.451 13.309 0.387 403 2HG2 VAL 50 2HG2 VAL 50 -8.314 13.198 -0.956 404 3HG2 VAL 50 3HG2 VAL 50 -9.742 14.223 -1.093 405 H GLY 51 H GLY 51 -5.223 15.415 0.386 406 1HA GLY 51 2HA GLY 51 -5.083 17.902 1.688 407 2HA GLY 51 1HA GLY 51 -3.745 16.781 1.487 408 H ARG 52 H ARG 52 -3.922 16.860 -1.449 409 HA ARG 52 HA ARG 52 -2.291 19.211 -1.836 410 1HB ARG 52 2HB ARG 52 -2.852 16.741 -3.319 411 2HB ARG 52 1HB ARG 52 -2.649 18.151 -4.343 412 1HG ARG 52 2HG ARG 52 -0.452 18.423 -3.780 413 2HG ARG 52 1HG ARG 52 -0.642 17.644 -2.209 414 1HD ARG 52 2HD ARG 52 0.484 15.997 -3.317 415 2HD ARG 52 1HD ARG 52 -1.170 15.539 -3.714 416 HE ARG 52 HE ARG 52 -0.136 17.316 -5.661 417 1HH1 ARG 52 1HH1 ARG 52 0.079 14.004 -4.582 418 2HH1 ARG 52 2HH1 ARG 52 0.521 13.394 -6.141 419 1HH2 ARG 52 1HH2 ARG 52 0.445 16.513 -7.713 420 2HH2 ARG 52 2HH2 ARG 52 0.730 14.817 -7.917 421 H MET 53 H MET 53 -5.554 18.231 -2.475 422 HA MET 53 HA MET 53 -6.100 20.266 -4.416 423 1HB MET 53 2HB MET 53 -7.349 18.123 -4.304 424 2HB MET 53 1HB MET 53 -8.039 18.634 -2.769 425 1HG MET 53 2HG MET 53 -9.694 19.576 -3.883 426 2HG MET 53 1HG MET 53 -8.539 20.727 -4.552 427 1HE MET 53 1HE MET 53 -7.296 20.005 -7.338 428 2HE MET 53 2HE MET 53 -8.346 21.217 -6.603 429 3HE MET 53 3HE MET 53 -8.870 20.359 -8.053 430 H LEU 54 H LEU 54 -6.211 20.026 -0.948 431 HA LEU 54 HA LEU 54 -7.994 21.925 -0.162 432 1HB LEU 54 2HB LEU 54 -5.350 21.056 0.877 433 2HB LEU 54 1HB LEU 54 -6.040 22.515 1.561 434 HG LEU 54 HG LEU 54 -7.416 19.828 1.509 435 1HD1 LEU 54 1HD1 LEU 54 -5.355 20.826 3.216 436 2HD1 LEU 54 2HD1 LEU 54 -6.200 19.280 3.279 437 3HD1 LEU 54 3HD1 LEU 54 -6.852 20.675 4.137 438 1HD2 LEU 54 1HD2 LEU 54 -8.173 22.162 3.221 439 2HD2 LEU 54 2HD2 LEU 54 -9.145 20.778 2.722 440 3HD2 LEU 54 3HD2 LEU 54 -8.758 22.047 1.562 441 HA PRO 55 HA PRO 55 -4.868 25.545 -0.823 442 1HB PRO 55 2HB PRO 55 -2.600 25.028 -2.228 443 2HB PRO 55 1HB PRO 55 -2.699 24.875 -0.470 444 1HG PRO 55 2HG PRO 55 -2.871 22.749 -2.570 445 2HG PRO 55 1HG PRO 55 -2.005 22.727 -1.023 446 1HD PRO 55 2HD PRO 55 -4.396 21.509 -1.368 447 2HD PRO 55 1HD PRO 55 -3.907 22.227 0.180 448 H ILE 56 H ILE 56 -6.761 25.760 -2.239 449 HA ILE 56 HA ILE 56 -5.952 26.403 -4.924 450 HB ILE 56 HB ILE 56 -6.492 24.007 -5.147 451 1HG1 ILE 56 2HG1 ILE 56 -8.153 24.280 -7.017 452 2HG1 ILE 56 1HG1 ILE 56 -8.357 25.955 -6.517 453 1HG2 ILE 56 1HG2 ILE 56 -8.639 23.124 -4.762 454 2HG2 ILE 56 2HG2 ILE 56 -9.350 24.725 -4.556 455 3HG2 ILE 56 3HG2 ILE 56 -8.260 24.078 -3.328 456 1HD1 ILE 56 1HD1 ILE 56 -5.897 26.258 -6.886 457 2HD1 ILE 56 2HD1 ILE 56 -6.848 25.938 -8.336 458 3HD1 ILE 56 3HD1 ILE 56 -5.884 24.651 -7.613 459 H GLN 57 H GLN 57 -8.349 26.439 -2.399 460 HA GLN 57 HA GLN 57 -9.361 28.953 -3.319 461 1HB GLN 57 2HB GLN 57 -10.631 27.255 -4.679 462 2HB GLN 57 1HB GLN 57 -11.319 26.660 -3.175 463 1HG GLN 57 2HG GLN 57 -12.149 29.018 -2.783 464 2HG GLN 57 1HG GLN 57 -11.703 29.345 -4.456 465 1HE2 GLN 57 1HE2 GLN 57 -14.018 28.003 -2.356 466 2HE2 GLN 57 2HE2 GLN 57 -15.114 27.419 -3.556 467 H GLU 58 H GLU 58 -9.453 26.292 -1.031 468 HA GLU 58 HA GLU 58 -11.086 27.490 0.919 469 1HB GLU 58 2HB GLU 58 -9.645 25.084 0.630 470 2HB GLU 58 1HB GLU 58 -9.055 25.828 2.111 471 1HG GLU 58 2HG GLU 58 -11.989 25.609 1.612 472 2HG GLU 58 1HG GLU 58 -11.077 24.215 2.191 473 H ASN 59 H ASN 59 -7.899 28.192 -0.085 474 HA ASN 59 HA ASN 59 -7.609 30.064 2.153 475 1HB ASN 59 2HB ASN 59 -6.222 27.819 2.296 476 2HB ASN 59 1HB ASN 59 -5.162 28.659 1.168 477 1HD2 ASN 59 1HD2 ASN 59 -6.029 28.232 4.394 478 2HD2 ASN 59 2HD2 ASN 59 -5.078 29.502 5.078 479 H GLN 60 H GLN 60 -7.614 29.576 -1.155 480 HA GLN 60 HA GLN 60 -5.778 31.777 -1.724 481 1HB GLN 60 2HB GLN 60 -6.931 29.527 -3.283 482 2HB GLN 60 1HB GLN 60 -6.621 31.012 -4.164 483 1HG GLN 60 2HG GLN 60 -4.628 29.373 -2.623 484 2HG GLN 60 1HG GLN 60 -4.730 29.561 -4.373 485 1HE2 GLN 60 1HE2 GLN 60 -4.014 31.457 -5.324 486 2HE2 GLN 60 2HE2 GLN 60 -3.039 32.606 -4.480 487 H ALA 61 H ALA 61 -6.998 32.711 -4.090 488 HA ALA 61 HA ALA 61 -8.722 33.957 -4.940 489 1HB ALA 61 1HB ALA 61 -10.142 32.356 -3.346 490 2HB ALA 61 2HB ALA 61 -10.848 33.726 -4.201 491 3HB ALA 61 3HB ALA 61 -10.396 33.882 -2.506 492 HA PRO 62 HA PRO 62 -7.129 37.754 -3.273 493 1HB PRO 62 2HB PRO 62 -8.552 39.456 -4.871 494 2HB PRO 62 1HB PRO 62 -7.102 38.591 -5.390 495 1HG PRO 62 2HG PRO 62 -9.980 37.919 -5.858 496 2HG PRO 62 1HG PRO 62 -8.611 37.833 -6.983 497 1HD PRO 62 2HD PRO 62 -9.588 35.644 -5.763 498 2HD PRO 62 1HD PRO 62 -7.857 35.829 -6.111 499 H ALA 63 H ALA 63 -10.485 36.891 -3.169 500 HA ALA 63 HA ALA 63 -11.373 39.278 -1.860 501 1HB ALA 63 1HB ALA 63 -13.206 37.338 -1.181 502 2HB ALA 63 2HB ALA 63 -12.563 36.771 -2.723 503 3HB ALA 63 3HB ALA 63 -13.271 38.381 -2.602 504 HA PRO 64 HA PRO 64 -11.202 36.714 2.198 505 1HB PRO 64 2HB PRO 64 -10.363 34.164 2.147 506 2HB PRO 64 1HB PRO 64 -12.028 34.605 1.746 507 1HG PRO 64 2HG PRO 64 -9.730 34.028 -0.093 508 2HG PRO 64 1HG PRO 64 -11.402 33.442 -0.183 509 1HD PRO 64 2HD PRO 64 -10.499 35.531 -1.663 510 2HD PRO 64 1HD PRO 64 -12.176 35.412 -1.092 511 H ASN 65 H ASN 65 -9.603 37.228 3.552 512 HA ASN 65 HA ASN 65 -7.554 37.461 4.500 513 1HB ASN 65 2HB ASN 65 -7.293 35.055 2.895 514 2HB ASN 65 1HB ASN 65 -5.762 35.912 3.037 515 1HD2 ASN 65 1HD2 ASN 65 -4.588 35.463 4.745 516 2HD2 ASN 65 2HD2 ASN 65 -5.162 34.791 6.229 517 H ILE 66 H ILE 66 -7.381 37.404 0.940 518 HA ILE 66 HA ILE 66 -5.061 39.022 0.804 519 HB ILE 66 HB ILE 66 -7.136 38.692 -1.348 520 1HG1 ILE 66 2HG1 ILE 66 -6.438 36.493 -0.497 521 2HG1 ILE 66 1HG1 ILE 66 -5.841 36.770 -2.129 522 1HG2 ILE 66 1HG2 ILE 66 -4.232 38.951 -1.883 523 2HG2 ILE 66 2HG2 ILE 66 -5.118 40.395 -1.393 524 3HG2 ILE 66 3HG2 ILE 66 -5.614 39.503 -2.832 525 1HD1 ILE 66 1HD1 ILE 66 -3.891 36.072 -1.315 526 2HD1 ILE 66 2HD1 ILE 66 -4.386 36.336 0.357 527 3HD1 ILE 66 3HD1 ILE 66 -3.773 37.682 -0.604 528 H THR 67 H THR 67 -8.488 39.756 1.009 529 HA THR 67 HA THR 67 -8.011 42.413 1.772 530 HB THR 67 HB THR 67 -9.377 43.181 -0.482 531 HG1 THR 67 1HG THR 67 -8.152 42.282 -2.205 532 1HG2 THR 67 1HG2 THR 67 -6.570 43.381 -1.004 533 2HG2 THR 67 2HG2 THR 67 -6.907 43.741 0.689 534 3HG2 THR 67 3HG2 THR 67 -7.729 44.642 -0.584 535 H GLY 68 H GLY 68 -10.683 41.827 -0.434 536 1HA GLY 68 2HA GLY 68 -12.861 41.061 0.125 537 2HA GLY 68 1HA GLY 68 -12.455 41.235 1.827 538 H ALA 69 H ALA 69 -13.392 42.864 2.827 539 HA ALA 69 HA ALA 69 -14.091 44.993 3.293 540 1HB ALA 69 1HB ALA 69 -14.107 46.729 1.430 541 2HB ALA 69 2HB ALA 69 -13.269 45.529 0.454 542 3HB ALA 69 3HB ALA 69 -12.538 46.113 1.946 543 H LEU 70 H LEU 70 -16.161 45.090 3.761 544 HA LEU 70 HA LEU 70 -18.180 43.919 2.160 545 1HB LEU 70 2HB LEU 70 -17.972 45.165 4.755 546 2HB LEU 70 1HB LEU 70 -19.418 45.714 3.930 547 HG LEU 70 HG LEU 70 -18.868 42.787 3.988 548 1HD1 LEU 70 1HD1 LEU 70 -18.459 43.307 6.272 549 2HD1 LEU 70 2HD1 LEU 70 -20.101 42.673 6.165 550 3HD1 LEU 70 3HD1 LEU 70 -19.836 44.409 6.331 551 1HD2 LEU 70 1HD2 LEU 70 -21.366 44.467 4.156 552 2HD2 LEU 70 2HD2 LEU 70 -21.317 42.705 4.111 553 3HD2 LEU 70 3HD2 LEU 70 -20.757 43.640 2.723 554 H GLU 71 H GLU 71 -17.193 47.272 2.712 555 HA GLU 71 HA GLU 71 -18.017 48.121 0.153 556 1HB GLU 71 2HB GLU 71 -19.836 49.702 0.956 557 2HB GLU 71 1HB GLU 71 -20.267 48.000 0.864 558 1HG GLU 71 2HG GLU 71 -21.049 48.259 2.927 559 2HG GLU 71 1HG GLU 71 -19.360 48.239 3.435 560 H HIS 72 H HIS 72 -17.306 49.014 3.490 561 HA HIS 72 HA HIS 72 -16.667 51.699 3.115 562 1HB HIS 72 2HB HIS 72 -16.067 49.637 5.133 563 2HB HIS 72 1HB HIS 72 -14.905 50.957 5.060 564 HD1 HIS 72 1HD HIS 72 -17.373 53.004 4.255 565 HD2 HIS 72 2HD HIS 72 -16.944 50.625 7.635 566 HE1 HIS 72 1HE HIS 72 -18.811 54.073 6.018 567 HE2 HIS 72 2HE HIS 72 -18.476 52.661 8.076 568 H HIS 73 H HIS 73 -15.570 51.934 1.142 569 HA HIS 73 HA HIS 73 -12.946 50.701 0.863 570 1HB HIS 73 2HB HIS 73 -14.594 52.444 -0.972 571 2HB HIS 73 1HB HIS 73 -12.965 51.905 -1.361 572 HD1 HIS 73 1HD HIS 73 -15.419 51.118 -3.083 573 HD2 HIS 73 2HD HIS 73 -13.814 48.773 -0.050 574 HE1 HIS 73 1HE HIS 73 -16.128 48.764 -3.607 575 HE2 HIS 73 2HE HIS 73 -15.165 47.363 -1.747 576 H HIS 74 H HIS 74 -11.215 52.257 -0.095 577 HA HIS 74 HA HIS 74 -11.163 54.686 1.574 578 1HB HIS 74 2HB HIS 74 -9.534 52.642 2.006 579 2HB HIS 74 1HB HIS 74 -8.625 53.384 0.693 580 HD1 HIS 74 1HD HIS 74 -6.690 54.320 1.999 581 HD2 HIS 74 2HD HIS 74 -10.374 55.427 3.572 582 HE1 HIS 74 1HE HIS 74 -6.177 56.021 3.779 583 HE2 HIS 74 2HE HIS 74 -8.415 56.614 4.773 584 H HIS 75 H HIS 75 -12.220 54.616 -1.052 585 HA HIS 75 HA HIS 75 -10.280 55.506 -2.945 586 1HB HIS 75 2HB HIS 75 -12.573 54.463 -3.425 587 2HB HIS 75 1HB HIS 75 -13.238 56.059 -3.095 588 HD1 HIS 75 1HD HIS 75 -12.736 54.216 -5.886 589 HD2 HIS 75 2HD HIS 75 -11.244 57.934 -4.785 590 HE1 HIS 75 1HE HIS 75 -12.087 55.344 -8.038 591 HE2 HIS 75 2HE HIS 75 -11.255 57.620 -7.352 592 H HIS 76 H HIS 76 -12.875 57.213 -1.186 593 HA HIS 76 HA HIS 76 -13.096 59.381 -0.536 594 1HB HIS 76 2HB HIS 76 -10.213 58.849 -0.408 595 2HB HIS 76 1HB HIS 76 -10.611 60.550 -0.588 596 HD1 HIS 76 1HD HIS 76 -12.221 61.560 1.302 597 HD2 HIS 76 2HD HIS 76 -10.526 57.855 2.117 598 HE1 HIS 76 1HE HIS 76 -12.478 61.234 3.782 599 HE2 HIS 76 2HE HIS 76 -11.346 59.037 4.267 600 H HIS 77 H HIS 77 -13.221 61.528 -1.366 601 HA HIS 77 HA HIS 77 -13.443 63.106 -2.990 602 1HB HIS 77 2HB HIS 77 -11.168 61.614 -4.317 603 2HB HIS 77 1HB HIS 77 -11.773 63.189 -4.816 604 HD1 HIS 77 1HD HIS 77 -10.546 65.115 -3.867 605 HD2 HIS 77 2HD HIS 77 -10.155 61.722 -1.513 606 HE1 HIS 77 1HE HIS 77 -8.961 65.755 -2.021 607 HE2 HIS 77 2HE HIS 77 -8.841 63.720 -0.541 Start of MODEL 5 1 1H ALA 1 1HT ALA 1 -21.691 -57.701 -1.671 2 2H ALA 1 2HT ALA 1 -21.016 -56.124 -1.590 3 3H ALA 1 3HT ALA 1 -20.677 -57.271 -0.359 4 HA ALA 1 HA ALA 1 -19.393 -58.562 -1.742 5 1HB ALA 1 1HB ALA 1 -19.240 -57.412 -4.220 6 2HB ALA 1 2HB ALA 1 -20.947 -57.223 -3.824 7 3HB ALA 1 3HB ALA 1 -20.211 -58.826 -3.809 8 H ASP 2 H ASP 2 -18.488 -56.918 -0.001 9 HA ASP 2 HA ASP 2 -17.002 -54.723 -1.174 10 1HB ASP 2 2HB ASP 2 -17.805 -55.533 1.501 11 2HB ASP 2 1HB ASP 2 -16.115 -55.041 1.448 12 H LYS 3 H LYS 3 -16.449 -57.992 -0.121 13 HA LYS 3 HA LYS 3 -13.695 -58.001 0.227 14 1HB LYS 3 2HB LYS 3 -15.351 -60.209 -1.005 15 2HB LYS 3 1HB LYS 3 -13.779 -60.386 -0.237 16 1HG LYS 3 2HG LYS 3 -15.437 -59.126 1.648 17 2HG LYS 3 1HG LYS 3 -16.386 -60.434 0.938 18 1HD LYS 3 2HD LYS 3 -13.568 -60.931 1.809 19 2HD LYS 3 1HD LYS 3 -14.870 -60.909 3.000 20 1HE LYS 3 2HE LYS 3 -15.103 -63.079 2.490 21 2HE LYS 3 1HE LYS 3 -15.933 -62.488 1.052 22 1HZ LYS 3 1HZ LYS 3 -13.313 -62.411 0.345 23 2HZ LYS 3 2HZ LYS 3 -14.407 -63.633 -0.068 24 3HZ LYS 3 3HZ LYS 3 -13.402 -63.818 1.280 25 H THR 4 H THR 4 -15.561 -57.773 -2.682 26 HA THR 4 HA THR 4 -13.508 -58.577 -4.485 27 HB THR 4 HB THR 4 -15.121 -57.027 -6.016 28 HG1 THR 4 1HG THR 4 -16.913 -56.580 -5.048 29 1HG2 THR 4 1HG2 THR 4 -14.733 -59.432 -6.340 30 2HG2 THR 4 2HG2 THR 4 -16.423 -58.976 -6.548 31 3HG2 THR 4 3HG2 THR 4 -15.901 -59.770 -5.062 32 H ILE 5 H ILE 5 -14.720 -55.419 -3.392 33 HA ILE 5 HA ILE 5 -12.837 -53.932 -4.945 34 HB ILE 5 HB ILE 5 -14.203 -52.846 -2.502 35 1HG1 ILE 5 2HG1 ILE 5 -15.783 -52.304 -4.801 36 2HG1 ILE 5 1HG1 ILE 5 -15.513 -54.044 -4.750 37 1HG2 ILE 5 1HG2 ILE 5 -12.907 -51.772 -4.922 38 2HG2 ILE 5 2HG2 ILE 5 -12.985 -51.117 -3.286 39 3HG2 ILE 5 3HG2 ILE 5 -14.359 -50.933 -4.375 40 1HD1 ILE 5 1HD1 ILE 5 -16.193 -53.015 -2.145 41 2HD1 ILE 5 2HD1 ILE 5 -16.955 -54.287 -3.094 42 3HD1 ILE 5 3HD1 ILE 5 -17.417 -52.607 -3.347 43 H PHE 6 H PHE 6 -13.160 -54.267 -1.402 44 HA PHE 6 HA PHE 6 -11.638 -54.196 0.282 45 1HB PHE 6 2HB PHE 6 -10.463 -55.801 -1.796 46 2HB PHE 6 1HB PHE 6 -9.198 -54.898 -0.968 47 HD1 PHE 6 1HD PHE 6 -10.074 -54.802 1.774 48 HD2 PHE 6 2HD PHE 6 -10.394 -57.973 -1.048 49 HE1 PHE 6 1HE PHE 6 -10.109 -56.433 3.615 50 HE2 PHE 6 2HE PHE 6 -10.432 -59.609 0.790 51 HZ PHE 6 HZ PHE 6 -10.289 -58.840 3.125 52 H ASN 7 H ASN 7 -9.173 -53.399 0.685 53 HA ASN 7 HA ASN 7 -7.676 -51.684 0.706 54 1HB ASN 7 2HB ASN 7 -8.914 -51.256 -1.969 55 2HB ASN 7 1HB ASN 7 -8.025 -49.914 -1.259 56 1HD2 ASN 7 1HD2 ASN 7 -7.794 -52.620 -3.139 57 2HD2 ASN 7 2HD2 ASN 7 -6.088 -52.877 -3.049 58 H ASP 8 H ASP 8 -10.598 -50.158 -0.648 59 HA ASP 8 HA ASP 8 -11.838 -48.378 0.049 60 1HB ASP 8 2HB ASP 8 -12.319 -50.113 1.852 61 2HB ASP 8 1HB ASP 8 -11.161 -49.247 2.856 62 H HIS 9 H HIS 9 -9.053 -47.905 -0.438 63 HA HIS 9 HA HIS 9 -7.942 -46.238 1.576 64 1HB HIS 9 2HB HIS 9 -7.272 -47.013 -1.186 65 2HB HIS 9 1HB HIS 9 -6.721 -45.406 -0.726 66 HD1 HIS 9 1HD HIS 9 -6.790 -48.462 1.510 67 HD2 HIS 9 2HD HIS 9 -4.065 -45.923 -0.333 68 HE1 HIS 9 1HE HIS 9 -4.537 -49.125 2.410 69 HE2 HIS 9 2HE HIS 9 -2.897 -47.638 1.210 70 H LEU 10 H LEU 10 -9.594 -45.529 -1.494 71 HA LEU 10 HA LEU 10 -10.896 -43.763 -2.115 72 1HB LEU 10 2HB LEU 10 -11.565 -43.783 0.364 73 2HB LEU 10 1HB LEU 10 -10.423 -42.465 0.556 74 HG LEU 10 HG LEU 10 -12.116 -41.830 -1.644 75 1HD1 LEU 10 1HD1 LEU 10 -13.790 -42.208 0.796 76 2HD1 LEU 10 2HD1 LEU 10 -13.575 -43.546 -0.334 77 3HD1 LEU 10 3HD1 LEU 10 -14.278 -42.027 -0.889 78 1HD2 LEU 10 1HD2 LEU 10 -10.923 -40.261 -0.162 79 2HD2 LEU 10 2HD2 LEU 10 -12.033 -40.681 1.143 80 3HD2 LEU 10 3HD2 LEU 10 -12.641 -39.888 -0.310 81 H ASN 11 H ASN 11 -7.866 -43.121 -0.444 82 HA ASN 11 HA ASN 11 -6.147 -41.708 -0.865 83 1HB ASN 11 2HB ASN 11 -6.634 -42.848 -3.179 84 2HB ASN 11 1HB ASN 11 -7.195 -41.243 -3.637 85 1HD2 ASN 11 1HD2 ASN 11 -5.525 -41.086 -5.150 86 2HD2 ASN 11 2HD2 ASN 11 -3.896 -40.761 -4.673 87 H THR 12 H THR 12 -6.225 -39.438 -2.777 88 HA THR 12 HA THR 12 -6.722 -37.233 -2.802 89 HB THR 12 HB THR 12 -9.329 -37.704 -1.412 90 HG1 THR 12 1HG THR 12 -9.079 -39.456 -2.893 91 1HG2 THR 12 1HG2 THR 12 -9.435 -35.579 -2.143 92 2HG2 THR 12 2HG2 THR 12 -9.921 -36.367 -3.644 93 3HG2 THR 12 3HG2 THR 12 -8.253 -35.849 -3.423 94 H ASN 13 H ASN 13 -5.441 -38.496 -0.466 95 HA ASN 13 HA ASN 13 -6.339 -37.154 1.885 96 1HB ASN 13 2HB ASN 13 -3.601 -38.338 1.399 97 2HB ASN 13 1HB ASN 13 -4.381 -38.046 2.951 98 1HD2 ASN 13 1HD2 ASN 13 -4.732 -39.959 3.818 99 2HD2 ASN 13 2HD2 ASN 13 -5.490 -41.300 3.036 100 HA PRO 14 HA PRO 14 -2.316 -34.399 0.951 101 1HB PRO 14 2HB PRO 14 -2.187 -33.998 -1.821 102 2HB PRO 14 1HB PRO 14 -1.076 -34.973 -0.855 103 1HG PRO 14 2HG PRO 14 -3.425 -35.824 -2.481 104 2HG PRO 14 1HG PRO 14 -1.870 -36.642 -2.233 105 1HD PRO 14 2HD PRO 14 -4.069 -37.475 -0.993 106 2HD PRO 14 1HD PRO 14 -2.505 -37.481 -0.158 107 H LYS 15 H LYS 15 -5.332 -34.509 -0.798 108 HA LYS 15 HA LYS 15 -5.570 -31.860 -1.598 109 1HB LYS 15 2HB LYS 15 -7.353 -34.127 -1.206 110 2HB LYS 15 1HB LYS 15 -8.145 -32.593 -0.869 111 1HG LYS 15 2HG LYS 15 -8.564 -32.868 -3.112 112 2HG LYS 15 1HG LYS 15 -7.117 -31.858 -3.136 113 1HD LYS 15 2HD LYS 15 -5.780 -33.552 -3.898 114 2HD LYS 15 1HD LYS 15 -6.761 -34.810 -3.146 115 1HE LYS 15 2HE LYS 15 -8.559 -34.092 -4.872 116 2HE LYS 15 1HE LYS 15 -7.205 -33.350 -5.723 117 1HZ LYS 15 1HZ LYS 15 -7.991 -35.913 -5.999 118 2HZ LYS 15 2HZ LYS 15 -6.719 -36.067 -4.896 119 3HZ LYS 15 3HZ LYS 15 -6.453 -35.327 -6.394 120 H THR 16 H THR 16 -5.854 -33.254 1.579 121 HA THR 16 HA THR 16 -7.260 -31.071 2.762 122 HB THR 16 HB THR 16 -5.511 -33.127 4.120 123 HG1 THR 16 1HG THR 16 -7.627 -33.624 2.733 124 1HG2 THR 16 1HG2 THR 16 -5.990 -31.916 5.927 125 2HG2 THR 16 2HG2 THR 16 -7.589 -32.650 5.791 126 3HG2 THR 16 3HG2 THR 16 -7.295 -31.043 5.123 127 H ASN 17 H ASN 17 -3.836 -32.037 2.738 128 HA ASN 17 HA ASN 17 -2.905 -29.877 4.289 129 1HB ASN 17 2HB ASN 17 -1.555 -31.709 2.313 130 2HB ASN 17 1HB ASN 17 -0.674 -30.448 3.170 131 1HD2 ASN 17 1HD2 ASN 17 -1.132 -33.592 3.184 132 2HD2 ASN 17 2HD2 ASN 17 -1.061 -33.943 4.874 133 H LEU 18 H LEU 18 -3.012 -30.362 0.773 134 HA LEU 18 HA LEU 18 -1.848 -27.931 0.034 135 1HB LEU 18 2HB LEU 18 -2.852 -30.134 -1.283 136 2HB LEU 18 1HB LEU 18 -3.949 -28.858 -1.776 137 HG LEU 18 HG LEU 18 -2.220 -29.014 -3.414 138 1HD1 LEU 18 1HD1 LEU 18 -2.256 -26.806 -3.581 139 2HD1 LEU 18 2HD1 LEU 18 -0.962 -26.697 -2.387 140 3HD1 LEU 18 3HD1 LEU 18 -2.646 -26.663 -1.869 141 1HD2 LEU 18 1HD2 LEU 18 -0.021 -29.351 -3.017 142 2HD2 LEU 18 2HD2 LEU 18 -0.628 -29.980 -1.486 143 3HD2 LEU 18 3HD2 LEU 18 -0.010 -28.331 -1.580 144 H ARG 19 H ARG 19 -5.245 -28.772 0.602 145 HA ARG 19 HA ARG 19 -6.343 -26.306 -0.193 146 1HB ARG 19 2HB ARG 19 -7.312 -28.746 0.800 147 2HB ARG 19 1HB ARG 19 -7.881 -27.525 1.923 148 1HG ARG 19 2HG ARG 19 -8.214 -26.821 -0.898 149 2HG ARG 19 1HG ARG 19 -9.133 -28.235 -0.375 150 1HD ARG 19 2HD ARG 19 -10.467 -27.028 1.000 151 2HD ARG 19 1HD ARG 19 -9.184 -25.896 1.425 152 HE ARG 19 HE ARG 19 -9.881 -24.529 -0.270 153 1HH1 ARG 19 1HH1 ARG 19 -11.262 -27.700 -0.746 154 2HH1 ARG 19 2HH1 ARG 19 -12.305 -27.186 -2.030 155 1HH2 ARG 19 1HH2 ARG 19 -11.260 -23.857 -1.949 156 2HH2 ARG 19 2HH2 ARG 19 -12.301 -25.010 -2.713 157 H LEU 20 H LEU 20 -5.560 -27.507 3.075 158 HA LEU 20 HA LEU 20 -6.302 -25.160 4.421 159 1HB LEU 20 2HB LEU 20 -4.254 -27.241 5.187 160 2HB LEU 20 1HB LEU 20 -4.877 -26.006 6.265 161 HG LEU 20 HG LEU 20 -6.614 -28.093 4.951 162 1HD1 LEU 20 1HD1 LEU 20 -4.701 -28.593 6.869 163 2HD1 LEU 20 2HD1 LEU 20 -6.127 -29.577 6.540 164 3HD1 LEU 20 3HD1 LEU 20 -6.174 -28.358 7.813 165 1HD2 LEU 20 1HD2 LEU 20 -8.186 -26.643 5.627 166 2HD2 LEU 20 2HD2 LEU 20 -7.078 -25.786 6.697 167 3HD2 LEU 20 3HD2 LEU 20 -7.847 -27.277 7.239 168 H TRP 21 H TRP 21 -3.205 -26.194 3.054 169 HA TRP 21 HA TRP 21 -1.654 -24.055 4.015 170 1HB TRP 21 2HB TRP 21 -0.957 -26.293 2.855 171 2HB TRP 21 1HB TRP 21 -1.077 -25.349 1.375 172 HD1 TRP 21 HD TRP 21 0.537 -23.059 1.337 173 HE1 TRP 21 1HE TRP 21 2.921 -22.778 2.263 174 HE3 TRP 21 3HE TRP 21 0.627 -27.025 4.560 175 HZ2 TRP 21 2HZ TRP 21 4.618 -24.071 4.113 176 HZ3 TRP 21 3HZ TRP 21 2.669 -27.436 5.868 177 HH2 TRP 21 HH TRP 21 4.623 -25.989 5.647 178 H VAL 22 H VAL 22 -3.227 -24.499 0.846 179 HA VAL 22 HA VAL 22 -2.467 -22.036 -0.250 180 HB VAL 22 HB VAL 22 -4.387 -22.326 -1.802 181 1HG1 VAL 22 1HG1 VAL 22 -3.591 -24.828 -2.395 182 2HG1 VAL 22 2HG1 VAL 22 -2.293 -24.340 -1.306 183 3HG1 VAL 22 3HG1 VAL 22 -2.635 -23.389 -2.751 184 1HG2 VAL 22 1HG2 VAL 22 -5.542 -24.618 -1.578 185 2HG2 VAL 22 2HG2 VAL 22 -6.094 -23.293 -0.552 186 3HG2 VAL 22 3HG2 VAL 22 -5.033 -24.534 0.105 187 H ALA 23 H ALA 23 -5.466 -22.947 1.442 188 HA ALA 23 HA ALA 23 -6.766 -20.482 1.239 189 1HB ALA 23 1HB ALA 23 -7.138 -22.952 2.695 190 2HB ALA 23 2HB ALA 23 -8.338 -21.810 2.090 191 3HB ALA 23 3HB ALA 23 -7.595 -21.554 3.668 192 H PHE 24 H PHE 24 -4.533 -21.705 3.701 193 HA PHE 24 HA PHE 24 -4.756 -19.501 5.454 194 1HB PHE 24 2HB PHE 24 -3.452 -21.932 5.516 195 2HB PHE 24 1HB PHE 24 -2.122 -20.783 5.429 196 HD1 PHE 24 1HD PHE 24 -5.428 -20.530 7.119 197 HD2 PHE 24 2HD PHE 24 -1.197 -20.704 7.538 198 HE1 PHE 24 1HE PHE 24 -5.654 -20.095 9.530 199 HE2 PHE 24 2HE PHE 24 -1.414 -20.269 9.948 200 HZ PHE 24 HZ PHE 24 -3.645 -19.964 10.948 201 H GLN 25 H GLN 25 -2.550 -20.214 2.788 202 HA GLN 25 HA GLN 25 -0.905 -17.944 3.096 203 1HB GLN 25 2HB GLN 25 -0.484 -20.057 1.702 204 2HB GLN 25 1HB GLN 25 -1.467 -19.290 0.462 205 1HG GLN 25 2HG GLN 25 0.878 -18.923 0.028 206 2HG GLN 25 1HG GLN 25 0.081 -17.397 0.409 207 1HE2 GLN 25 1HE2 GLN 25 1.543 -20.045 2.272 208 2HE2 GLN 25 2HE2 GLN 25 2.531 -19.029 3.261 209 H MET 26 H MET 26 -3.851 -18.518 1.238 210 HA MET 26 HA MET 26 -3.854 -16.070 -0.160 211 1HB MET 26 2HB MET 26 -5.198 -18.017 -0.826 212 2HB MET 26 1HB MET 26 -6.178 -17.834 0.622 213 1HG MET 26 2HG MET 26 -7.537 -16.554 -0.546 214 2HG MET 26 1HG MET 26 -6.259 -15.344 -0.612 215 1HE MET 26 1HE MET 26 -8.294 -15.982 -4.031 216 2HE MET 26 2HE MET 26 -8.724 -15.982 -2.322 217 3HE MET 26 3HE MET 26 -8.552 -17.509 -3.188 218 H MET 27 H MET 27 -5.452 -17.067 2.859 219 HA MET 27 HA MET 27 -6.735 -14.589 3.312 220 1HB MET 27 2HB MET 27 -6.556 -17.125 4.609 221 2HB MET 27 1HB MET 27 -6.241 -15.873 5.802 222 1HG MET 27 2HG MET 27 -8.346 -14.743 4.959 223 2HG MET 27 1HG MET 27 -8.681 -16.245 4.097 224 1HE MET 27 1HE MET 27 -9.480 -14.205 6.652 225 2HE MET 27 2HE MET 27 -9.900 -15.110 8.106 226 3HE MET 27 3HE MET 27 -10.912 -15.238 6.668 227 H LYS 28 H LYS 28 -3.795 -15.982 4.771 228 HA LYS 28 HA LYS 28 -3.148 -13.679 6.276 229 1HB LYS 28 2HB LYS 28 -2.291 -15.960 6.760 230 2HB LYS 28 1HB LYS 28 -1.289 -15.864 5.319 231 1HG LYS 28 2HG LYS 28 0.006 -14.089 6.248 232 2HG LYS 28 1HG LYS 28 -1.098 -13.933 7.617 233 1HD LYS 28 2HD LYS 28 -0.249 -15.747 8.685 234 2HD LYS 28 1HD LYS 28 0.118 -16.596 7.181 235 1HE LYS 28 2HE LYS 28 1.858 -14.546 7.009 236 2HE LYS 28 1HE LYS 28 1.763 -14.722 8.760 237 1HZ LYS 28 1HZ LYS 28 2.747 -16.746 8.706 238 2HZ LYS 28 2HZ LYS 28 3.448 -16.113 7.304 239 3HZ LYS 28 3HZ LYS 28 2.122 -17.156 7.185 240 H GLY 29 H GLY 29 -1.648 -14.973 3.312 241 1HA GLY 29 2HA GLY 29 0.074 -12.828 2.827 242 2HA GLY 29 1HA GLY 29 -0.496 -13.959 1.619 243 H ALA 30 H ALA 30 -2.908 -13.512 0.989 244 HA ALA 30 HA ALA 30 -2.953 -11.022 -0.302 245 1HB ALA 30 1HB ALA 30 -5.413 -12.654 0.227 246 2HB ALA 30 2HB ALA 30 -4.181 -13.165 -0.928 247 3HB ALA 30 3HB ALA 30 -5.038 -11.642 -1.166 248 H GLY 31 H GLY 31 -4.448 -12.111 2.704 249 1HA GLY 31 2HA GLY 31 -6.119 -9.894 3.137 250 2HA GLY 31 1HA GLY 31 -5.491 -10.954 4.390 251 H TRP 32 H TRP 32 -2.875 -10.531 4.497 252 HA TRP 32 HA TRP 32 -2.658 -8.045 5.780 253 1HB TRP 32 2HB TRP 32 -0.526 -8.689 6.376 254 2HB TRP 32 1HB TRP 32 -1.277 -10.237 6.033 255 HD1 TRP 32 HD TRP 32 -0.075 -11.754 4.328 256 HE1 TRP 32 1HE TRP 32 1.927 -11.490 2.739 257 HE3 TRP 32 3HE TRP 32 0.711 -6.737 4.857 258 HZ2 TRP 32 2HZ TRP 32 3.629 -9.425 1.838 259 HZ3 TRP 32 3HZ TRP 32 2.551 -5.693 3.603 260 HH2 TRP 32 HH TRP 32 3.981 -7.011 2.126 261 H ALA 33 H ALA 33 -1.327 -9.092 2.634 262 HA ALA 33 HA ALA 33 -0.061 -6.713 1.955 263 1HB ALA 33 1HB ALA 33 -0.119 -9.023 0.755 264 2HB ALA 33 2HB ALA 33 0.123 -7.552 -0.186 265 3HB ALA 33 3HB ALA 33 -1.466 -8.314 -0.138 266 H GLY 34 H GLY 34 -3.383 -7.755 1.185 267 1HA GLY 34 2HA GLY 34 -4.141 -5.381 -0.124 268 2HA GLY 34 1HA GLY 34 -5.242 -6.551 0.593 269 H GLY 35 H GLY 35 -4.256 -6.353 3.278 270 1HA GLY 35 2HA GLY 35 -5.825 -4.196 4.201 271 2HA GLY 35 1HA GLY 35 -4.704 -5.136 5.175 272 H VAL 36 H VAL 36 -2.295 -4.599 4.184 273 HA VAL 36 HA VAL 36 -1.717 -2.030 5.192 274 HB VAL 36 HB VAL 36 0.080 -3.771 3.498 275 1HG1 VAL 36 1HG1 VAL 36 0.892 -1.485 3.809 276 2HG1 VAL 36 2HG1 VAL 36 1.888 -2.635 4.702 277 3HG1 VAL 36 3HG1 VAL 36 0.701 -1.647 5.553 278 1HG2 VAL 36 1HG2 VAL 36 -0.429 -5.230 5.186 279 2HG2 VAL 36 2HG2 VAL 36 -0.757 -3.950 6.350 280 3HG2 VAL 36 3HG2 VAL 36 0.907 -4.356 5.929 281 H PHE 37 H PHE 37 -1.660 -3.315 1.870 282 HA PHE 37 HA PHE 37 -0.835 -0.945 0.622 283 1HB PHE 37 2HB PHE 37 -2.113 -3.472 -0.263 284 2HB PHE 37 1HB PHE 37 -2.262 -2.092 -1.346 285 HD1 PHE 37 2HD PHE 37 0.098 -0.745 -1.539 286 HD2 PHE 37 1HD PHE 37 -0.383 -4.896 -0.727 287 HE1 PHE 37 2HE PHE 37 2.360 -1.174 -2.410 288 HE2 PHE 37 1HE PHE 37 1.878 -5.331 -1.596 289 HZ PHE 37 HZ PHE 37 3.252 -3.469 -2.439 290 H PHE 38 H PHE 38 -4.106 -2.245 1.148 291 HA PHE 38 HA PHE 38 -5.463 -0.100 -0.090 292 1HB PHE 38 2HB PHE 38 -6.292 -2.473 0.674 293 2HB PHE 38 1HB PHE 38 -6.704 -1.631 2.164 294 HD1 PHE 38 1HD PHE 38 -7.128 -1.316 -1.522 295 HD2 PHE 38 2HD PHE 38 -8.806 -0.690 2.339 296 HE1 PHE 38 1HE PHE 38 -9.229 -0.569 -2.561 297 HE2 PHE 38 2HE PHE 38 -10.911 0.059 1.306 298 HZ PHE 38 HZ PHE 38 -11.124 0.119 -1.147 299 H GLY 39 H GLY 39 -4.722 -0.743 3.334 300 1HA GLY 39 2HA GLY 39 -5.981 1.544 4.379 301 2HA GLY 39 1HA GLY 39 -4.694 0.642 5.164 302 H THR 40 H THR 40 -2.515 1.020 3.737 303 HA THR 40 HA THR 40 -1.643 3.571 4.392 304 HB THR 40 HB THR 40 -0.478 1.794 2.239 305 HG1 THR 40 1HG THR 40 -0.826 1.025 4.591 306 1HG2 THR 40 1HG2 THR 40 0.558 4.153 3.716 307 2HG2 THR 40 2HG2 THR 40 0.800 3.670 2.037 308 3HG2 THR 40 3HG2 THR 40 1.668 2.838 3.327 309 H LEU 41 H LEU 41 -2.867 2.349 1.295 310 HA LEU 41 HA LEU 41 -2.326 4.672 -0.202 311 1HB LEU 41 2HB LEU 41 -3.764 2.191 -0.579 312 2HB LEU 41 1HB LEU 41 -4.637 3.530 -1.296 313 HG LEU 41 HG LEU 41 -3.251 2.570 -2.984 314 1HD1 LEU 41 1HD1 LEU 41 -3.079 4.702 -3.618 315 2HD1 LEU 41 2HD1 LEU 41 -1.434 4.623 -2.989 316 3HD1 LEU 41 3HD1 LEU 41 -2.734 5.260 -1.983 317 1HD2 LEU 41 1HD2 LEU 41 -1.608 1.755 -1.030 318 2HD2 LEU 41 2HD2 LEU 41 -0.695 3.143 -1.618 319 3HD2 LEU 41 3HD2 LEU 41 -1.127 1.841 -2.724 320 H LEU 42 H LEU 42 -5.025 3.742 1.835 321 HA LEU 42 HA LEU 42 -6.750 5.864 1.069 322 1HB LEU 42 2HB LEU 42 -7.399 3.702 2.209 323 2HB LEU 42 1HB LEU 42 -6.768 4.388 3.694 324 HG LEU 42 HG LEU 42 -8.495 6.349 2.849 325 1HD1 LEU 42 1HD1 LEU 42 -10.205 5.565 1.653 326 2HD1 LEU 42 2HD1 LEU 42 -10.306 4.085 2.607 327 3HD1 LEU 42 3HD1 LEU 42 -9.162 4.196 1.269 328 1HD2 LEU 42 1HD2 LEU 42 -9.257 6.019 4.912 329 2HD2 LEU 42 2HD2 LEU 42 -8.188 4.621 5.016 330 3HD2 LEU 42 3HD2 LEU 42 -9.860 4.415 4.498 331 H LEU 43 H LEU 43 -4.503 5.423 3.785 332 HA LEU 43 HA LEU 43 -5.075 7.917 5.012 333 1HB LEU 43 2HB LEU 43 -3.296 5.682 5.438 334 2HB LEU 43 1HB LEU 43 -2.455 7.197 5.703 335 HG LEU 43 HG LEU 43 -4.941 7.409 7.037 336 1HD1 LEU 43 1HD1 LEU 43 -4.623 4.788 6.773 337 2HD1 LEU 43 2HD1 LEU 43 -5.269 5.513 8.246 338 3HD1 LEU 43 3HD1 LEU 43 -3.573 5.036 8.168 339 1HD2 LEU 43 1HD2 LEU 43 -2.889 8.522 7.697 340 2HD2 LEU 43 2HD2 LEU 43 -2.142 6.969 8.071 341 3HD2 LEU 43 3HD2 LEU 43 -3.506 7.544 9.030 342 H ILE 44 H ILE 44 -2.255 6.849 3.104 343 HA ILE 44 HA ILE 44 -1.064 9.395 2.956 344 HB ILE 44 HB ILE 44 -0.749 7.153 0.955 345 1HG1 ILE 44 2HG1 ILE 44 -0.330 6.239 3.147 346 2HG1 ILE 44 1HG1 ILE 44 1.221 6.501 2.358 347 1HG2 ILE 44 1HG2 ILE 44 1.252 9.253 1.753 348 2HG2 ILE 44 2HG2 ILE 44 0.146 9.444 0.391 349 3HG2 ILE 44 3HG2 ILE 44 1.329 8.135 0.390 350 1HD1 ILE 44 1HD1 ILE 44 0.291 7.479 4.858 351 2HD1 ILE 44 2HD1 ILE 44 0.619 8.848 3.796 352 3HD1 ILE 44 3HD1 ILE 44 1.880 7.658 4.117 353 H GLY 45 H GLY 45 -3.218 7.658 0.733 354 1HA GLY 45 2HA GLY 45 -3.209 9.579 -1.320 355 2HA GLY 45 1HA GLY 45 -4.482 8.403 -1.033 356 H PHE 46 H PHE 46 -5.349 9.217 1.492 357 HA PHE 46 HA PHE 46 -7.114 11.303 0.815 358 1HB PHE 46 2HB PHE 46 -7.471 9.495 2.558 359 2HB PHE 46 1HB PHE 46 -6.430 10.431 3.625 360 HD1 PHE 46 2HD PHE 46 -9.521 10.712 1.579 361 HD2 PHE 46 1HD PHE 46 -7.351 12.071 4.978 362 HE1 PHE 46 2HE PHE 46 -11.468 12.038 2.286 363 HE2 PHE 46 1HE PHE 46 -9.296 13.399 5.693 364 HZ PHE 46 HZ PHE 46 -11.356 13.385 4.345 365 H PHE 47 H PHE 47 -4.295 11.272 2.994 366 HA PHE 47 HA PHE 47 -4.432 14.007 3.667 367 1HB PHE 47 2HB PHE 47 -2.721 11.785 4.238 368 2HB PHE 47 1HB PHE 47 -1.719 13.156 3.775 369 HD1 PHE 47 2HD PHE 47 -3.189 15.427 4.835 370 HD2 PHE 47 1HD PHE 47 -2.537 11.583 6.532 371 HE1 PHE 47 2HE PHE 47 -3.456 16.383 7.083 372 HE2 PHE 47 1HE PHE 47 -2.801 12.531 8.787 373 HZ PHE 47 HZ PHE 47 -3.260 14.935 9.064 374 H ARG 48 H ARG 48 -3.131 12.327 0.933 375 HA ARG 48 HA ARG 48 -1.432 14.387 -0.027 376 1HB ARG 48 2HB ARG 48 -2.594 11.880 -1.165 377 2HB ARG 48 1HB ARG 48 -1.877 13.055 -2.258 378 1HG ARG 48 2HG ARG 48 0.080 12.894 -0.436 379 2HG ARG 48 1HG ARG 48 -0.600 11.274 -0.289 380 1HD ARG 48 2HD ARG 48 0.449 10.660 -2.140 381 2HD ARG 48 1HD ARG 48 -0.422 11.892 -3.048 382 HE ARG 48 HE ARG 48 1.395 13.426 -2.516 383 1HH1 ARG 48 1HH1 ARG 48 2.036 10.010 -2.099 384 2HH1 ARG 48 2HH1 ARG 48 3.751 10.198 -2.228 385 1HH2 ARG 48 1HH2 ARG 48 3.646 13.659 -2.673 386 2HH2 ARG 48 2HH2 ARG 48 4.664 12.264 -2.553 387 H VAL 49 H VAL 49 -4.587 13.230 -1.212 388 HA VAL 49 HA VAL 49 -4.970 15.546 -2.846 389 HB VAL 49 HB VAL 49 -5.915 13.392 -3.514 390 1HG1 VAL 49 1HG1 VAL 49 -6.462 12.670 -1.153 391 2HG1 VAL 49 2HG1 VAL 49 -7.672 12.298 -2.380 392 3HG1 VAL 49 3HG1 VAL 49 -7.913 13.659 -1.284 393 1HG2 VAL 49 1HG2 VAL 49 -7.656 15.764 -3.122 394 2HG2 VAL 49 2HG2 VAL 49 -8.407 14.269 -3.680 395 3HG2 VAL 49 3HG2 VAL 49 -7.097 14.999 -4.610 396 H VAL 50 H VAL 50 -6.636 14.328 0.067 397 HA VAL 50 HA VAL 50 -8.156 16.714 0.386 398 HB VAL 50 HB VAL 50 -7.678 14.566 2.445 399 1HG1 VAL 50 1HG1 VAL 50 -10.015 16.440 2.135 400 2HG1 VAL 50 2HG1 VAL 50 -8.660 16.727 3.226 401 3HG1 VAL 50 3HG1 VAL 50 -9.701 15.322 3.462 402 1HG2 VAL 50 1HG2 VAL 50 -8.515 13.391 0.611 403 2HG2 VAL 50 2HG2 VAL 50 -9.576 14.716 0.130 404 3HG2 VAL 50 3HG2 VAL 50 -9.950 13.767 1.563 405 H GLY 51 H GLY 51 -5.350 15.366 2.104 406 1HA GLY 51 2HA GLY 51 -5.119 17.406 4.009 407 2HA GLY 51 1HA GLY 51 -3.800 16.392 3.455 408 H ARG 52 H ARG 52 -4.811 17.692 0.688 409 HA ARG 52 HA ARG 52 -4.253 19.467 -0.616 410 1HB ARG 52 2HB ARG 52 -4.468 20.637 1.951 411 2HB ARG 52 1HB ARG 52 -2.981 21.257 1.244 412 1HG ARG 52 2HG ARG 52 -4.070 22.484 -0.294 413 2HG ARG 52 1HG ARG 52 -5.307 21.253 -0.551 414 1HD ARG 52 2HD ARG 52 -6.402 23.126 0.408 415 2HD ARG 52 1HD ARG 52 -6.273 21.909 1.676 416 HE ARG 52 HE ARG 52 -4.060 23.469 2.002 417 1HH1 ARG 52 1HH1 ARG 52 -7.497 24.093 1.883 418 2HH1 ARG 52 2HH1 ARG 52 -7.411 25.446 2.961 419 1HH2 ARG 52 1HH2 ARG 52 -3.951 25.235 3.421 420 2HH2 ARG 52 2HH2 ARG 52 -5.398 26.091 3.839 421 H MET 53 H MET 53 -2.610 17.313 -0.338 422 HA MET 53 HA MET 53 -0.470 16.544 -0.602 423 1HB MET 53 2HB MET 53 0.802 17.695 -2.301 424 2HB MET 53 1HB MET 53 -0.902 17.740 -2.728 425 1HG MET 53 2HG MET 53 -1.081 20.025 -2.098 426 2HG MET 53 1HG MET 53 0.523 20.011 -1.369 427 1HE MET 53 1HE MET 53 -0.512 21.899 -4.857 428 2HE MET 53 2HE MET 53 0.774 22.508 -3.814 429 3HE MET 53 3HE MET 53 -0.748 21.965 -3.109 430 H LEU 54 H LEU 54 -0.924 18.136 1.836 431 HA LEU 54 HA LEU 54 1.094 19.917 2.438 432 1HB LEU 54 2HB LEU 54 -0.898 19.235 3.860 433 2HB LEU 54 1HB LEU 54 0.059 17.867 4.384 434 HG LEU 54 HG LEU 54 0.041 19.767 5.985 435 1HD1 LEU 54 1HD1 LEU 54 2.067 19.176 6.717 436 2HD1 LEU 54 2HD1 LEU 54 2.863 19.668 5.223 437 3HD1 LEU 54 3HD1 LEU 54 2.080 18.091 5.324 438 1HD2 LEU 54 1HD2 LEU 54 1.692 21.639 5.301 439 2HD2 LEU 54 2HD2 LEU 54 0.021 21.716 4.742 440 3HD2 LEU 54 3HD2 LEU 54 1.288 21.159 3.655 441 HA PRO 55 HA PRO 55 3.666 15.923 4.016 442 1HB PRO 55 2HB PRO 55 2.813 14.339 1.624 443 2HB PRO 55 1HB PRO 55 3.286 13.778 3.234 444 1HG PRO 55 2HG PRO 55 0.722 13.870 2.552 445 2HG PRO 55 1HG PRO 55 1.242 14.349 4.178 446 1HD PRO 55 2HD PRO 55 0.366 16.044 1.894 447 2HD PRO 55 1HD PRO 55 0.165 16.299 3.637 448 H ILE 56 H ILE 56 5.505 16.997 3.534 449 HA ILE 56 HA ILE 56 7.397 17.586 2.410 450 HB ILE 56 HB ILE 56 6.425 15.863 0.133 451 1HG1 ILE 56 2HG1 ILE 56 6.396 14.598 2.254 452 2HG1 ILE 56 1HG1 ILE 56 7.649 14.017 1.161 453 1HG2 ILE 56 1HG2 ILE 56 9.113 16.925 0.957 454 2HG2 ILE 56 2HG2 ILE 56 8.262 17.160 -0.569 455 3HG2 ILE 56 3HG2 ILE 56 8.929 15.578 -0.168 456 1HD1 ILE 56 1HD1 ILE 56 8.581 16.081 2.989 457 2HD1 ILE 56 2HD1 ILE 56 9.275 14.508 2.596 458 3HD1 ILE 56 3HD1 ILE 56 7.990 14.629 3.799 459 H GLN 57 H GLN 57 8.186 18.841 0.553 460 HA GLN 57 HA GLN 57 8.026 20.386 -1.121 461 1HB GLN 57 2HB GLN 57 6.036 18.857 -1.879 462 2HB GLN 57 1HB GLN 57 5.044 20.165 -1.250 463 1HG GLN 57 2HG GLN 57 5.278 20.629 -3.523 464 2HG GLN 57 1HG GLN 57 6.416 21.711 -2.723 465 1HE2 GLN 57 1HE2 GLN 57 6.136 18.677 -4.480 466 2HE2 GLN 57 2HE2 GLN 57 7.750 18.671 -5.096 467 H GLU 58 H GLU 58 5.561 20.484 1.406 468 HA GLU 58 HA GLU 58 5.137 23.279 1.290 469 1HB GLU 58 2HB GLU 58 4.068 21.089 2.712 470 2HB GLU 58 1HB GLU 58 4.644 22.230 3.921 471 1HG GLU 58 2HG GLU 58 2.674 22.759 1.713 472 2HG GLU 58 1HG GLU 58 2.355 22.705 3.444 473 H ASN 59 H ASN 59 7.034 21.265 3.548 474 HA ASN 59 HA ASN 59 8.848 21.729 4.842 475 1HB ASN 59 2HB ASN 59 9.057 23.946 2.822 476 2HB ASN 59 1HB ASN 59 10.172 23.858 4.181 477 1HD2 ASN 59 1HD2 ASN 59 11.659 23.707 2.280 478 2HD2 ASN 59 2HD2 ASN 59 12.025 22.124 1.692 479 H GLN 60 H GLN 60 6.058 23.256 5.076 480 HA GLN 60 HA GLN 60 5.071 24.668 6.555 481 1HB GLN 60 2HB GLN 60 7.119 23.215 7.967 482 2HB GLN 60 1HB GLN 60 6.923 24.813 8.672 483 1HG GLN 60 2HG GLN 60 4.722 22.806 8.229 484 2HG GLN 60 1HG GLN 60 5.514 23.151 9.766 485 1HE2 GLN 60 1HE2 GLN 60 5.631 25.779 9.938 486 2HE2 GLN 60 2HE2 GLN 60 4.064 26.501 9.868 487 H ALA 61 H ALA 61 7.101 25.738 4.619 488 HA ALA 61 HA ALA 61 7.946 27.771 4.047 489 1HB ALA 61 1HB ALA 61 6.133 28.473 6.300 490 2HB ALA 61 2HB ALA 61 6.087 28.978 4.612 491 3HB ALA 61 3HB ALA 61 7.261 29.696 5.715 492 HA PRO 62 HA PRO 62 11.844 28.415 5.981 493 1HB PRO 62 2HB PRO 62 11.307 31.340 6.027 494 2HB PRO 62 1HB PRO 62 12.660 30.454 5.315 495 1HG PRO 62 2HG PRO 62 10.741 31.484 3.777 496 2HG PRO 62 1HG PRO 62 11.475 29.914 3.402 497 1HD PRO 62 2HD PRO 62 8.812 30.514 4.610 498 2HD PRO 62 1HD PRO 62 9.274 29.234 3.477 499 H ALA 63 H ALA 63 9.041 29.909 7.363 500 HA ALA 63 HA ALA 63 8.370 29.773 9.575 501 1HB ALA 63 1HB ALA 63 10.872 30.052 10.990 502 2HB ALA 63 2HB ALA 63 10.879 28.643 9.930 503 3HB ALA 63 3HB ALA 63 9.617 28.830 11.140 504 HA PRO 64 HA PRO 64 10.162 33.993 10.889 505 1HB PRO 64 2HB PRO 64 12.542 34.533 9.269 506 2HB PRO 64 1HB PRO 64 12.351 34.577 11.023 507 1HG PRO 64 2HG PRO 64 13.799 32.671 9.788 508 2HG PRO 64 1HG PRO 64 12.879 32.350 11.269 509 1HD PRO 64 2HD PRO 64 12.165 31.721 8.424 510 2HD PRO 64 1HD PRO 64 12.003 30.718 9.877 511 H ASN 65 H ASN 65 8.361 33.578 8.952 512 HA ASN 65 HA ASN 65 8.913 35.234 6.642 513 1HB ASN 65 2HB ASN 65 6.834 33.313 7.451 514 2HB ASN 65 1HB ASN 65 6.240 34.683 6.513 515 1HD2 ASN 65 1HD2 ASN 65 8.916 32.360 6.518 516 2HD2 ASN 65 2HD2 ASN 65 8.932 32.124 4.808 517 H ILE 66 H ILE 66 7.229 35.422 9.678 518 HA ILE 66 HA ILE 66 6.535 37.259 10.854 519 HB ILE 66 HB ILE 66 6.898 38.967 8.395 520 1HG1 ILE 66 2HG1 ILE 66 8.940 38.586 10.587 521 2HG1 ILE 66 1HG1 ILE 66 9.000 37.688 9.075 522 1HG2 ILE 66 1HG2 ILE 66 7.171 39.832 11.245 523 2HG2 ILE 66 2HG2 ILE 66 5.585 39.708 10.489 524 3HG2 ILE 66 3HG2 ILE 66 6.798 40.796 9.817 525 1HD1 ILE 66 1HD1 ILE 66 10.421 39.801 9.300 526 2HD1 ILE 66 2HD1 ILE 66 8.905 40.676 9.092 527 3HD1 ILE 66 3HD1 ILE 66 9.476 39.587 7.827 528 H THR 67 H THR 67 4.523 38.132 11.219 529 HA THR 67 HA THR 67 2.364 37.020 9.826 530 HB THR 67 HB THR 67 2.007 37.629 12.090 531 HG1 THR 67 1HG THR 67 0.249 39.148 11.897 532 1HG2 THR 67 1HG2 THR 67 2.609 40.492 11.391 533 2HG2 THR 67 2HG2 THR 67 3.686 39.413 12.276 534 3HG2 THR 67 3HG2 THR 67 2.131 39.866 12.969 535 H GLY 68 H GLY 68 3.933 40.162 9.564 536 1HA GLY 68 2HA GLY 68 3.011 40.539 6.906 537 2HA GLY 68 1HA GLY 68 2.073 41.521 8.021 538 H ALA 69 H ALA 69 3.048 43.211 6.595 539 HA ALA 69 HA ALA 69 4.279 45.142 6.672 540 1HB ALA 69 1HB ALA 69 6.583 44.554 8.200 541 2HB ALA 69 2HB ALA 69 5.199 43.888 9.064 542 3HB ALA 69 3HB ALA 69 5.224 45.592 8.623 543 H LEU 70 H LEU 70 6.487 42.351 6.903 544 HA LEU 70 HA LEU 70 8.060 41.539 5.482 545 1HB LEU 70 2HB LEU 70 6.247 42.997 3.655 546 2HB LEU 70 1HB LEU 70 7.852 42.660 3.038 547 HG LEU 70 HG LEU 70 6.215 40.943 2.389 548 1HD1 LEU 70 1HD1 LEU 70 8.665 40.462 2.789 549 2HD1 LEU 70 2HD1 LEU 70 7.580 39.073 2.828 550 3HD1 LEU 70 3HD1 LEU 70 8.178 39.765 4.334 551 1HD2 LEU 70 1HD2 LEU 70 4.628 40.667 3.995 552 2HD2 LEU 70 2HD2 LEU 70 5.773 40.870 5.321 553 3HD2 LEU 70 3HD2 LEU 70 5.700 39.341 4.445 554 H GLU 71 H GLU 71 9.910 42.289 6.315 555 HA GLU 71 HA GLU 71 11.917 43.380 6.231 556 1HB GLU 71 2HB GLU 71 10.543 45.226 4.270 557 2HB GLU 71 1HB GLU 71 12.210 45.407 4.785 558 1HG GLU 71 2HG GLU 71 11.474 42.750 3.755 559 2HG GLU 71 1HG GLU 71 11.461 44.070 2.585 560 H HIS 72 H HIS 72 12.755 45.726 6.747 561 HA HIS 72 HA HIS 72 10.983 46.784 8.848 562 1HB HIS 72 2HB HIS 72 13.675 45.879 8.943 563 2HB HIS 72 1HB HIS 72 13.701 47.619 9.205 564 HD1 HIS 72 1HD HIS 72 12.745 48.496 11.406 565 HD2 HIS 72 2HD HIS 72 12.342 44.387 10.939 566 HE1 HIS 72 1HE HIS 72 12.051 47.628 13.662 567 HE2 HIS 72 2HE HIS 72 11.906 45.129 13.377 568 H HIS 73 H HIS 73 11.239 49.119 9.322 569 HA HIS 73 HA HIS 73 10.934 50.669 6.989 570 1HB HIS 73 2HB HIS 73 11.568 51.766 9.730 571 2HB HIS 73 1HB HIS 73 10.682 52.556 8.431 572 HD1 HIS 73 1HD HIS 73 9.277 52.494 11.037 573 HD2 HIS 73 2HD HIS 73 9.016 49.353 8.328 574 HE1 HIS 73 1HE HIS 73 7.159 51.272 11.626 575 HE2 HIS 73 2HE HIS 73 7.052 49.342 10.011 576 H HIS 74 H HIS 74 13.368 51.331 9.508 577 HA HIS 74 HA HIS 74 15.536 52.000 9.396 578 1HB HIS 74 2HB HIS 74 15.468 49.880 7.768 579 2HB HIS 74 1HB HIS 74 15.866 51.112 6.575 580 HD1 HIS 74 1HD HIS 74 18.203 52.195 6.723 581 HD2 HIS 74 2HD HIS 74 17.486 49.328 9.644 582 HE1 HIS 74 1HE HIS 74 20.442 51.723 7.767 583 HE2 HIS 74 2HE HIS 74 19.993 49.946 9.496 584 H HIS 75 H HIS 75 13.643 53.913 8.874 585 HA HIS 75 HA HIS 75 15.021 55.583 6.883 586 1HB HIS 75 2HB HIS 75 12.261 54.771 6.909 587 2HB HIS 75 1HB HIS 75 12.361 56.518 7.091 588 HD1 HIS 75 1HD HIS 75 15.146 56.287 5.200 589 HD2 HIS 75 2HD HIS 75 11.195 55.362 4.304 590 HE1 HIS 75 1HE HIS 75 14.987 56.382 2.695 591 HE2 HIS 75 2HE HIS 75 12.616 55.711 2.172 592 H HIS 76 H HIS 76 16.246 56.704 8.355 593 HA HIS 76 HA HIS 76 14.853 58.755 9.838 594 1HB HIS 76 2HB HIS 76 15.925 56.406 11.166 595 2HB HIS 76 1HB HIS 76 16.694 57.879 11.749 596 HD1 HIS 76 1HD HIS 76 13.791 55.822 12.269 597 HD2 HIS 76 2HD HIS 76 14.658 59.871 12.611 598 HE1 HIS 76 1HE HIS 76 11.986 56.773 13.739 599 HE2 HIS 76 2HE HIS 76 12.568 59.212 13.985 600 H HIS 77 H HIS 77 16.213 60.506 10.440 601 HA HIS 77 HA HIS 77 19.014 60.501 10.004 602 1HB HIS 77 2HB HIS 77 18.985 62.060 8.023 603 2HB HIS 77 1HB HIS 77 18.515 60.402 7.669 604 HD1 HIS 77 1HD HIS 77 15.599 60.294 8.156 605 HD2 HIS 77 2HD HIS 77 17.410 63.664 6.538 606 HE1 HIS 77 1HE HIS 77 13.767 61.534 6.973 607 HE2 HIS 77 2HE HIS 77 14.860 63.633 6.110 Start of MODEL 6 1 1H ALA 1 1HT ALA 1 -10.375 -57.056 4.435 2 2H ALA 1 2HT ALA 1 -9.133 -56.785 3.288 3 3H ALA 1 3HT ALA 1 -10.199 -55.514 3.713 4 HA ALA 1 HA ALA 1 -9.158 -55.024 5.557 5 1HB ALA 1 1HB ALA 1 -7.913 -56.860 6.879 6 2HB ALA 1 2HB ALA 1 -8.805 -57.976 5.844 7 3HB ALA 1 3HB ALA 1 -9.677 -56.842 6.876 8 H ASP 2 H ASP 2 -7.556 -57.040 3.174 9 HA ASP 2 HA ASP 2 -4.901 -56.271 3.888 10 1HB ASP 2 2HB ASP 2 -6.188 -57.955 1.897 11 2HB ASP 2 1HB ASP 2 -4.847 -57.047 1.208 12 H LYS 3 H LYS 3 -6.262 -53.930 3.845 13 HA LYS 3 HA LYS 3 -4.814 -52.423 1.898 14 1HB LYS 3 2HB LYS 3 -7.112 -53.305 0.871 15 2HB LYS 3 1HB LYS 3 -7.741 -51.905 1.728 16 1HG LYS 3 2HG LYS 3 -6.882 -50.467 0.251 17 2HG LYS 3 1HG LYS 3 -5.348 -51.335 0.158 18 1HD LYS 3 2HD LYS 3 -6.457 -53.022 -1.291 19 2HD LYS 3 1HD LYS 3 -7.909 -52.019 -1.279 20 1HE LYS 3 2HE LYS 3 -6.076 -50.189 -2.013 21 2HE LYS 3 1HE LYS 3 -5.347 -51.642 -2.695 22 1HZ LYS 3 1HZ LYS 3 -7.318 -52.066 -3.945 23 2HZ LYS 3 2HZ LYS 3 -6.866 -50.462 -4.228 24 3HZ LYS 3 3HZ LYS 3 -8.152 -50.805 -3.186 25 H THR 4 H THR 4 -3.950 -51.273 3.561 26 HA THR 4 HA THR 4 -5.467 -50.214 5.718 27 HB THR 4 HB THR 4 -3.194 -48.669 5.618 28 HG1 THR 4 1HG THR 4 -2.328 -51.208 4.775 29 1HG2 THR 4 1HG2 THR 4 -3.352 -49.642 7.633 30 2HG2 THR 4 2HG2 THR 4 -2.221 -50.797 6.928 31 3HG2 THR 4 3HG2 THR 4 -3.946 -51.166 6.976 32 H ILE 5 H ILE 5 -6.483 -48.296 5.954 33 HA ILE 5 HA ILE 5 -7.666 -46.471 5.219 34 HB ILE 5 HB ILE 5 -5.361 -45.707 6.024 35 1HG1 ILE 5 2HG1 ILE 5 -5.793 -43.368 5.462 36 2HG1 ILE 5 1HG1 ILE 5 -6.894 -43.856 4.184 37 1HG2 ILE 5 1HG2 ILE 5 -4.953 -45.264 3.077 38 2HG2 ILE 5 2HG2 ILE 5 -4.021 -46.311 4.144 39 3HG2 ILE 5 3HG2 ILE 5 -3.961 -44.562 4.353 40 1HD1 ILE 5 1HD1 ILE 5 -7.676 -43.172 6.649 41 2HD1 ILE 5 2HD1 ILE 5 -7.491 -44.912 6.862 42 3HD1 ILE 5 3HD1 ILE 5 -8.571 -44.286 5.617 43 H PHE 6 H PHE 6 -6.836 -44.664 2.987 44 HA PHE 6 HA PHE 6 -7.295 -44.378 0.785 45 1HB PHE 6 2HB PHE 6 -6.384 -47.255 0.584 46 2HB PHE 6 1HB PHE 6 -6.559 -46.140 -0.766 47 HD1 PHE 6 1HD PHE 6 -5.314 -43.734 -0.054 48 HD2 PHE 6 2HD PHE 6 -4.192 -47.683 1.068 49 HE1 PHE 6 1HE PHE 6 -2.992 -42.980 0.265 50 HE2 PHE 6 2HE PHE 6 -1.869 -46.937 1.388 51 HZ PHE 6 HZ PHE 6 -1.267 -44.583 0.986 52 H ASN 7 H ASN 7 -8.729 -45.104 -1.022 53 HA ASN 7 HA ASN 7 -10.786 -45.699 -1.785 54 1HB ASN 7 2HB ASN 7 -9.677 -48.006 -0.640 55 2HB ASN 7 1HB ASN 7 -11.331 -47.947 -0.040 56 1HD2 ASN 7 1HD2 ASN 7 -12.909 -48.623 -1.327 57 2HD2 ASN 7 2HD2 ASN 7 -12.743 -48.984 -3.009 58 H ASP 8 H ASP 8 -10.768 -43.724 0.141 59 HA ASP 8 HA ASP 8 -13.462 -43.830 1.067 60 1HB ASP 8 2HB ASP 8 -11.893 -45.129 2.774 61 2HB ASP 8 1HB ASP 8 -11.558 -43.496 3.339 62 H HIS 9 H HIS 9 -14.156 -41.844 0.704 63 HA HIS 9 HA HIS 9 -12.438 -39.630 0.312 64 1HB HIS 9 2HB HIS 9 -15.435 -39.791 0.659 65 2HB HIS 9 1HB HIS 9 -14.577 -38.316 0.227 66 HD1 HIS 9 1HD HIS 9 -16.270 -38.633 -1.922 67 HD2 HIS 9 2HD HIS 9 -13.017 -41.204 -1.641 68 HE1 HIS 9 1HE HIS 9 -15.964 -39.585 -4.229 69 HE2 HIS 9 2HE HIS 9 -13.940 -41.075 -4.053 70 H LEU 10 H LEU 10 -13.057 -37.464 1.454 71 HA LEU 10 HA LEU 10 -13.055 -36.167 3.321 72 1HB LEU 10 2HB LEU 10 -14.619 -38.463 4.110 73 2HB LEU 10 1HB LEU 10 -13.678 -37.873 5.465 74 HG LEU 10 HG LEU 10 -15.856 -36.850 5.507 75 1HD1 LEU 10 1HD1 LEU 10 -14.512 -35.250 6.374 76 2HD1 LEU 10 2HD1 LEU 10 -15.025 -34.375 4.930 77 3HD1 LEU 10 3HD1 LEU 10 -13.467 -35.200 4.955 78 1HD2 LEU 10 1HD2 LEU 10 -16.590 -37.032 3.266 79 2HD2 LEU 10 2HD2 LEU 10 -15.236 -36.073 2.668 80 3HD2 LEU 10 3HD2 LEU 10 -16.508 -35.307 3.619 81 H ASN 11 H ASN 11 -12.177 -39.318 4.717 82 HA ASN 11 HA ASN 11 -10.064 -38.386 6.266 83 1HB ASN 11 2HB ASN 11 -9.329 -40.756 6.356 84 2HB ASN 11 1HB ASN 11 -11.055 -40.568 6.648 85 1HD2 ASN 11 1HD2 ASN 11 -8.662 -42.021 4.736 86 2HD2 ASN 11 2HD2 ASN 11 -9.704 -42.801 3.600 87 H THR 12 H THR 12 -7.978 -37.916 5.896 88 HA THR 12 HA THR 12 -6.047 -37.475 4.785 89 HB THR 12 HB THR 12 -6.553 -39.708 2.863 90 HG1 THR 12 1HG THR 12 -6.179 -40.004 5.653 91 1HG2 THR 12 1HG2 THR 12 -4.375 -38.730 2.767 92 2HG2 THR 12 2HG2 THR 12 -4.238 -40.319 3.519 93 3HG2 THR 12 3HG2 THR 12 -4.186 -38.864 4.514 94 H ASN 13 H ASN 13 -5.901 -38.339 1.769 95 HA ASN 13 HA ASN 13 -6.320 -37.460 -0.273 96 1HB ASN 13 2HB ASN 13 -8.693 -36.363 1.199 97 2HB ASN 13 1HB ASN 13 -8.327 -35.799 -0.426 98 1HD2 ASN 13 1HD2 ASN 13 -7.587 -37.884 -1.810 99 2HD2 ASN 13 2HD2 ASN 13 -8.788 -39.125 -1.821 100 HA PRO 14 HA PRO 14 -3.709 -33.878 0.140 101 1HB PRO 14 2HB PRO 14 -3.686 -33.194 -2.525 102 2HB PRO 14 1HB PRO 14 -2.655 -34.436 -1.809 103 1HG PRO 14 2HG PRO 14 -5.228 -34.739 -3.303 104 2HG PRO 14 1HG PRO 14 -3.750 -35.714 -3.407 105 1HD PRO 14 2HD PRO 14 -5.895 -36.559 -2.033 106 2HD PRO 14 1HD PRO 14 -4.242 -36.893 -1.472 107 H LYS 15 H LYS 15 -6.842 -33.882 -1.397 108 HA LYS 15 HA LYS 15 -7.282 -31.271 -2.053 109 1HB LYS 15 2HB LYS 15 -8.936 -33.533 -1.263 110 2HB LYS 15 1HB LYS 15 -9.656 -31.996 -0.801 111 1HG LYS 15 2HG LYS 15 -10.067 -31.392 -2.931 112 2HG LYS 15 1HG LYS 15 -8.593 -32.143 -3.544 113 1HD LYS 15 2HD LYS 15 -9.717 -34.373 -3.151 114 2HD LYS 15 1HD LYS 15 -11.209 -33.474 -2.869 115 1HE LYS 15 2HE LYS 15 -11.286 -34.097 -5.133 116 2HE LYS 15 1HE LYS 15 -10.808 -32.400 -5.138 117 1HZ LYS 15 1HZ LYS 15 -8.745 -34.499 -5.168 118 2HZ LYS 15 2HZ LYS 15 -8.666 -32.914 -5.752 119 3HZ LYS 15 3HZ LYS 15 -9.539 -34.084 -6.605 120 H THR 16 H THR 16 -7.344 -32.679 1.188 121 HA THR 16 HA THR 16 -8.245 -30.302 2.478 122 HB THR 16 HB THR 16 -7.681 -31.450 4.559 123 HG1 THR 16 1HG THR 16 -6.601 -33.401 4.526 124 1HG2 THR 16 1HG2 THR 16 -8.653 -33.852 3.382 125 2HG2 THR 16 2HG2 THR 16 -9.455 -32.473 2.633 126 3HG2 THR 16 3HG2 THR 16 -9.506 -32.677 4.383 127 H ASN 17 H ASN 17 -5.062 -31.770 1.949 128 HA ASN 17 HA ASN 17 -3.587 -29.921 3.487 129 1HB ASN 17 2HB ASN 17 -2.797 -32.173 2.604 130 2HB ASN 17 1HB ASN 17 -2.543 -31.370 1.056 131 1HD2 ASN 17 1HD2 ASN 17 -1.743 -31.064 4.492 132 2HD2 ASN 17 2HD2 ASN 17 -0.147 -30.450 4.243 133 H LEU 18 H LEU 18 -4.457 -29.995 0.058 134 HA LEU 18 HA LEU 18 -3.010 -27.659 -0.636 135 1HB LEU 18 2HB LEU 18 -5.238 -29.197 -1.927 136 2HB LEU 18 1HB LEU 18 -4.713 -27.663 -2.596 137 HG LEU 18 HG LEU 18 -2.881 -30.022 -2.158 138 1HD1 LEU 18 1HD1 LEU 18 -4.683 -29.312 -4.390 139 2HD1 LEU 18 2HD1 LEU 18 -4.092 -30.886 -3.861 140 3HD1 LEU 18 3HD1 LEU 18 -3.053 -29.831 -4.817 141 1HD2 LEU 18 1HD2 LEU 18 -2.567 -27.307 -3.380 142 2HD2 LEU 18 2HD2 LEU 18 -1.551 -28.653 -3.896 143 3HD2 LEU 18 3HD2 LEU 18 -1.536 -28.132 -2.212 144 H ARG 19 H ARG 19 -6.269 -28.258 0.527 145 HA ARG 19 HA ARG 19 -7.339 -25.702 0.058 146 1HB ARG 19 2HB ARG 19 -8.687 -27.701 0.629 147 2HB ARG 19 1HB ARG 19 -8.057 -27.633 2.270 148 1HG ARG 19 2HG ARG 19 -9.013 -25.235 2.292 149 2HG ARG 19 1HG ARG 19 -9.955 -25.774 0.900 150 1HD ARG 19 2HD ARG 19 -11.374 -26.879 2.206 151 2HD ARG 19 1HD ARG 19 -10.056 -27.730 3.009 152 HE ARG 19 HE ARG 19 -10.430 -25.020 3.908 153 1HH1 ARG 19 1HH1 ARG 19 -11.369 -28.352 4.346 154 2HH1 ARG 19 2HH1 ARG 19 -11.867 -28.126 5.988 155 1HH2 ARG 19 1HH2 ARG 19 -11.084 -24.721 6.068 156 2HH2 ARG 19 2HH2 ARG 19 -11.707 -26.064 6.966 157 H LEU 20 H LEU 20 -5.903 -27.063 3.042 158 HA LEU 20 HA LEU 20 -6.097 -24.697 4.540 159 1HB LEU 20 2HB LEU 20 -4.439 -25.683 6.039 160 2HB LEU 20 1HB LEU 20 -5.686 -26.836 5.608 161 HG LEU 20 HG LEU 20 -3.849 -27.452 3.745 162 1HD1 LEU 20 1HD1 LEU 20 -2.310 -25.718 4.729 163 2HD1 LEU 20 2HD1 LEU 20 -1.639 -27.343 4.577 164 3HD1 LEU 20 3HD1 LEU 20 -2.186 -26.756 6.150 165 1HD2 LEU 20 1HD2 LEU 20 -4.745 -29.175 5.012 166 2HD2 LEU 20 2HD2 LEU 20 -4.250 -28.441 6.539 167 3HD2 LEU 20 3HD2 LEU 20 -3.044 -29.180 5.484 168 H TRP 21 H TRP 21 -3.582 -25.888 2.360 169 HA TRP 21 HA TRP 21 -1.622 -23.974 2.969 170 1HB TRP 21 2HB TRP 21 -1.305 -26.049 1.563 171 2HB TRP 21 1HB TRP 21 -2.086 -25.187 0.241 172 HD1 TRP 21 HD TRP 21 -0.372 -24.235 -1.389 173 HE1 TRP 21 1HE TRP 21 2.008 -23.270 -1.229 174 HE3 TRP 21 3HE TRP 21 0.353 -24.678 3.655 175 HZ2 TRP 21 2HZ TRP 21 3.937 -22.763 0.765 176 HZ3 TRP 21 3HZ TRP 21 2.494 -23.929 4.607 177 HH2 TRP 21 HH TRP 21 4.249 -22.992 3.191 178 H VAL 22 H VAL 22 -4.007 -23.971 0.305 179 HA VAL 22 HA VAL 22 -3.386 -21.402 -0.636 180 HB VAL 22 HB VAL 22 -6.063 -22.795 -0.818 181 1HG1 VAL 22 1HG1 VAL 22 -4.910 -20.788 -2.735 182 2HG1 VAL 22 2HG1 VAL 22 -5.921 -20.315 -1.370 183 3HG1 VAL 22 3HG1 VAL 22 -6.570 -21.371 -2.623 184 1HG2 VAL 22 1HG2 VAL 22 -3.492 -23.255 -2.170 185 2HG2 VAL 22 2HG2 VAL 22 -4.896 -23.156 -3.233 186 3HG2 VAL 22 3HG2 VAL 22 -4.860 -24.340 -1.929 187 H ALA 23 H ALA 23 -5.861 -22.470 1.687 188 HA ALA 23 HA ALA 23 -7.095 -19.997 2.075 189 1HB ALA 23 1HB ALA 23 -7.153 -21.373 4.539 190 2HB ALA 23 2HB ALA 23 -7.193 -22.587 3.263 191 3HB ALA 23 3HB ALA 23 -8.403 -21.304 3.297 192 H PHE 24 H PHE 24 -4.562 -21.518 4.082 193 HA PHE 24 HA PHE 24 -4.205 -19.333 5.802 194 1HB PHE 24 2HB PHE 24 -3.204 -21.900 5.624 195 2HB PHE 24 1HB PHE 24 -1.780 -20.901 5.350 196 HD1 PHE 24 2HD PHE 24 -2.052 -18.652 7.055 197 HD2 PHE 24 1HD PHE 24 -3.229 -22.678 7.777 198 HE1 PHE 24 2HE PHE 24 -1.851 -18.272 9.477 199 HE2 PHE 24 1HE PHE 24 -3.032 -22.306 10.201 200 HZ PHE 24 HZ PHE 24 -2.341 -20.101 11.054 201 H GLN 25 H GLN 25 -2.483 -20.226 2.825 202 HA GLN 25 HA GLN 25 -0.567 -18.168 2.933 203 1HB GLN 25 2HB GLN 25 -0.868 -20.310 1.361 204 2HB GLN 25 1HB GLN 25 -1.528 -19.094 0.276 205 1HG GLN 25 2HG GLN 25 0.645 -19.012 -0.357 206 2HG GLN 25 1HG GLN 25 0.689 -17.821 0.942 207 1HE2 GLN 25 1HE2 GLN 25 2.990 -19.010 0.163 208 2HE2 GLN 25 2HE2 GLN 25 3.542 -20.106 1.379 209 H MET 26 H MET 26 -3.732 -18.323 1.333 210 HA MET 26 HA MET 26 -3.591 -15.768 0.140 211 1HB MET 26 2HB MET 26 -5.304 -17.880 -0.048 212 2HB MET 26 1HB MET 26 -6.276 -16.739 0.868 213 1HG MET 26 2HG MET 26 -6.757 -16.457 -1.443 214 2HG MET 26 1HG MET 26 -5.846 -15.049 -0.895 215 1HE MET 26 1HE MET 26 -5.418 -14.201 -2.831 216 2HE MET 26 2HE MET 26 -4.874 -14.993 -4.311 217 3HE MET 26 3HE MET 26 -3.695 -14.322 -3.184 218 H MET 27 H MET 27 -4.748 -16.893 3.262 219 HA MET 27 HA MET 27 -6.039 -14.516 4.058 220 1HB MET 27 2HB MET 27 -4.881 -16.854 5.545 221 2HB MET 27 1HB MET 27 -5.527 -15.469 6.413 222 1HG MET 27 2HG MET 27 -7.694 -15.802 5.408 223 2HG MET 27 1HG MET 27 -7.064 -17.119 4.420 224 1HE MET 27 1HE MET 27 -8.120 -16.581 8.599 225 2HE MET 27 2HE MET 27 -6.721 -15.812 7.854 226 3HE MET 27 3HE MET 27 -6.508 -17.255 8.842 227 H LYS 28 H LYS 28 -2.790 -15.756 4.830 228 HA LYS 28 HA LYS 28 -1.964 -13.479 6.279 229 1HB LYS 28 2HB LYS 28 -0.477 -15.729 4.947 230 2HB LYS 28 1HB LYS 28 0.372 -14.419 5.758 231 1HG LYS 28 2HG LYS 28 -1.278 -15.069 7.725 232 2HG LYS 28 1HG LYS 28 -1.251 -16.624 6.890 233 1HD LYS 28 2HD LYS 28 1.332 -15.234 7.430 234 2HD LYS 28 1HD LYS 28 0.513 -16.054 8.760 235 1HE LYS 28 2HE LYS 28 0.689 -17.610 6.278 236 2HE LYS 28 1HE LYS 28 2.243 -17.241 7.027 237 1HZ LYS 28 1HZ LYS 28 0.815 -19.340 7.707 238 2HZ LYS 28 2HZ LYS 28 0.117 -18.224 8.771 239 3HZ LYS 28 3HZ LYS 28 1.783 -18.516 8.825 240 H GLY 29 H GLY 29 -1.193 -14.507 2.955 241 1HA GLY 29 2HA GLY 29 0.340 -12.252 2.283 242 2HA GLY 29 1HA GLY 29 -0.434 -13.334 1.141 243 H ALA 30 H ALA 30 -2.906 -12.962 0.986 244 HA ALA 30 HA ALA 30 -3.311 -10.401 -0.054 245 1HB ALA 30 1HB ALA 30 -5.823 -11.591 0.627 246 2HB ALA 30 2HB ALA 30 -4.724 -12.826 0.014 247 3HB ALA 30 3HB ALA 30 -5.072 -11.395 -0.956 248 H GLY 31 H GLY 31 -4.311 -11.774 3.063 249 1HA GLY 31 2HA GLY 31 -5.881 -9.627 3.929 250 2HA GLY 31 1HA GLY 31 -5.061 -10.765 4.984 251 H TRP 32 H TRP 32 -2.562 -10.330 5.019 252 HA TRP 32 HA TRP 32 -2.187 -7.860 6.288 253 1HB TRP 32 2HB TRP 32 -0.836 -10.125 6.375 254 2HB TRP 32 1HB TRP 32 0.143 -9.332 5.144 255 HD1 TRP 32 HD TRP 32 -0.695 -9.189 8.854 256 HE1 TRP 32 1HE TRP 32 0.966 -7.607 10.022 257 HE3 TRP 32 3HE TRP 32 1.613 -7.248 4.729 258 HZ2 TRP 32 2HZ TRP 32 2.987 -5.778 9.291 259 HZ3 TRP 32 3HZ TRP 32 3.398 -5.585 5.048 260 HH2 TRP 32 HH TRP 32 4.070 -4.865 7.283 261 H ALA 33 H ALA 33 -0.732 -8.959 3.214 262 HA ALA 33 HA ALA 33 0.419 -6.537 2.499 263 1HB ALA 33 1HB ALA 33 -0.617 -8.171 0.276 264 2HB ALA 33 2HB ALA 33 0.430 -9.001 1.427 265 3HB ALA 33 3HB ALA 33 1.011 -7.566 0.583 266 H GLY 34 H GLY 34 -2.741 -7.831 1.464 267 1HA GLY 34 2HA GLY 34 -3.485 -5.600 -0.073 268 2HA GLY 34 1HA GLY 34 -4.594 -6.775 0.618 269 H GLY 35 H GLY 35 -4.182 -6.392 3.325 270 1HA GLY 35 2HA GLY 35 -5.836 -4.188 3.852 271 2HA GLY 35 1HA GLY 35 -4.914 -5.075 5.056 272 H VAL 36 H VAL 36 -2.358 -4.568 4.520 273 HA VAL 36 HA VAL 36 -1.996 -1.944 5.481 274 HB VAL 36 HB VAL 36 0.136 -3.652 4.206 275 1HG1 VAL 36 1HG1 VAL 36 0.637 -1.904 6.543 276 2HG1 VAL 36 2HG1 VAL 36 0.364 -1.113 4.990 277 3HG1 VAL 36 3HG1 VAL 36 1.672 -2.284 5.165 278 1HG2 VAL 36 1HG2 VAL 36 -1.451 -4.482 6.271 279 2HG2 VAL 36 2HG2 VAL 36 -0.105 -3.725 7.122 280 3HG2 VAL 36 3HG2 VAL 36 0.200 -5.029 5.975 281 H PHE 37 H PHE 37 -1.192 -3.369 2.309 282 HA PHE 37 HA PHE 37 -0.195 -1.056 1.124 283 1HB PHE 37 2HB PHE 37 0.081 -3.266 0.122 284 2HB PHE 37 1HB PHE 37 -1.650 -3.365 -0.182 285 HD1 PHE 37 1HD PHE 37 0.832 -0.637 -0.755 286 HD2 PHE 37 2HD PHE 37 -1.994 -3.329 -2.453 287 HE1 PHE 37 1HE PHE 37 1.169 0.406 -2.958 288 HE2 PHE 37 2HE PHE 37 -1.661 -2.289 -4.660 289 HZ PHE 37 HZ PHE 37 -0.078 -0.420 -4.913 290 H PHE 38 H PHE 38 -3.485 -2.407 0.732 291 HA PHE 38 HA PHE 38 -4.477 -0.154 -0.657 292 1HB PHE 38 2HB PHE 38 -5.419 -2.675 -0.112 293 2HB PHE 38 1HB PHE 38 -6.472 -1.667 0.875 294 HD1 PHE 38 1HD PHE 38 -7.809 0.138 -0.220 295 HD2 PHE 38 2HD PHE 38 -5.648 -2.770 -2.448 296 HE1 PHE 38 1HE PHE 38 -9.151 0.673 -2.212 297 HE2 PHE 38 2HE PHE 38 -6.983 -2.241 -4.445 298 HZ PHE 38 HZ PHE 38 -8.739 -0.517 -4.329 299 H GLY 39 H GLY 39 -4.374 -0.992 2.757 300 1HA GLY 39 2HA GLY 39 -6.138 0.982 3.710 301 2HA GLY 39 1HA GLY 39 -4.859 0.219 4.644 302 H THR 40 H THR 40 -2.567 1.053 3.643 303 HA THR 40 HA THR 40 -2.401 3.745 4.486 304 HB THR 40 HB THR 40 -0.557 2.083 4.706 305 HG1 THR 40 1HG THR 40 0.234 4.351 3.209 306 1HG2 THR 40 1HG2 THR 40 -0.557 0.999 2.568 307 2HG2 THR 40 2HG2 THR 40 0.989 1.810 2.799 308 3HG2 THR 40 3HG2 THR 40 -0.233 2.522 1.747 309 H LEU 41 H LEU 41 -2.319 2.236 1.285 310 HA LEU 41 HA LEU 41 -1.649 4.488 -0.214 311 1HB LEU 41 2HB LEU 41 -1.848 2.060 -0.970 312 2HB LEU 41 1HB LEU 41 -3.566 2.365 -1.144 313 HG LEU 41 HG LEU 41 -2.721 4.378 -2.636 314 1HD1 LEU 41 1HD1 LEU 41 -0.651 2.700 -3.702 315 2HD1 LEU 41 2HD1 LEU 41 -0.300 3.107 -2.024 316 3HD1 LEU 41 3HD1 LEU 41 -0.577 4.389 -3.203 317 1HD2 LEU 41 1HD2 LEU 41 -2.873 1.485 -3.462 318 2HD2 LEU 41 2HD2 LEU 41 -2.808 2.829 -4.602 319 3HD2 LEU 41 3HD2 LEU 41 -4.166 2.683 -3.487 320 H LEU 42 H LEU 42 -4.875 3.245 0.624 321 HA LEU 42 HA LEU 42 -6.239 5.424 -0.608 322 1HB LEU 42 2HB LEU 42 -6.950 2.930 0.369 323 2HB LEU 42 1HB LEU 42 -7.746 4.045 1.465 324 HG LEU 42 HG LEU 42 -8.757 5.175 -0.531 325 1HD1 LEU 42 1HD1 LEU 42 -7.953 4.714 -2.544 326 2HD1 LEU 42 2HD1 LEU 42 -8.630 3.091 -2.404 327 3HD1 LEU 42 3HD1 LEU 42 -6.967 3.401 -1.901 328 1HD2 LEU 42 1HD2 LEU 42 -10.247 3.796 0.570 329 2HD2 LEU 42 2HD2 LEU 42 -9.325 2.336 0.214 330 3HD2 LEU 42 3HD2 LEU 42 -10.263 3.120 -1.058 331 H LEU 43 H LEU 43 -5.437 4.630 2.765 332 HA LEU 43 HA LEU 43 -6.749 6.883 3.874 333 1HB LEU 43 2HB LEU 43 -4.569 5.091 4.924 334 2HB LEU 43 1HB LEU 43 -5.265 6.394 5.870 335 HG LEU 43 HG LEU 43 -6.833 4.068 4.754 336 1HD1 LEU 43 1HD1 LEU 43 -5.316 4.438 7.259 337 2HD1 LEU 43 2HD1 LEU 43 -5.725 2.963 6.381 338 3HD1 LEU 43 3HD1 LEU 43 -6.928 3.738 7.411 339 1HD2 LEU 43 1HD2 LEU 43 -7.751 6.533 5.515 340 2HD2 LEU 43 2HD2 LEU 43 -7.906 5.597 7.002 341 3HD2 LEU 43 3HD2 LEU 43 -8.695 5.043 5.523 342 H ILE 44 H ILE 44 -3.245 6.269 3.578 343 HA ILE 44 HA ILE 44 -2.489 8.914 4.179 344 HB ILE 44 HB ILE 44 -0.883 6.941 2.555 345 1HG1 ILE 44 2HG1 ILE 44 -1.640 5.857 4.611 346 2HG1 ILE 44 1HG1 ILE 44 0.082 6.213 4.713 347 1HG2 ILE 44 1HG2 ILE 44 -0.249 9.462 2.883 348 2HG2 ILE 44 2HG2 ILE 44 0.975 8.202 3.022 349 3HG2 ILE 44 3HG2 ILE 44 0.269 8.907 4.474 350 1HD1 ILE 44 1HD1 ILE 44 -2.179 7.311 6.256 351 2HD1 ILE 44 2HD1 ILE 44 -0.867 8.422 5.860 352 3HD1 ILE 44 3HD1 ILE 44 -0.529 6.941 6.756 353 H GLY 45 H GLY 45 -3.097 7.267 1.114 354 1HA GLY 45 2HA GLY 45 -2.141 9.274 -0.607 355 2HA GLY 45 1HA GLY 45 -3.341 8.061 -1.024 356 H PHE 46 H PHE 46 -5.464 8.669 0.537 357 HA PHE 46 HA PHE 46 -6.604 10.869 -0.807 358 1HB PHE 46 2HB PHE 46 -7.559 8.761 0.723 359 2HB PHE 46 1HB PHE 46 -7.973 10.181 1.673 360 HD1 PHE 46 2HD PHE 46 -8.465 8.441 -1.516 361 HD2 PHE 46 1HD PHE 46 -9.618 11.741 0.910 362 HE1 PHE 46 2HE PHE 46 -10.403 8.833 -2.981 363 HE2 PHE 46 1HE PHE 46 -11.561 12.138 -0.548 364 HZ PHE 46 HZ PHE 46 -11.955 10.683 -2.496 365 H PHE 47 H PHE 47 -5.449 10.500 2.534 366 HA PHE 47 HA PHE 47 -6.146 13.106 3.368 367 1HB PHE 47 2HB PHE 47 -4.893 10.819 4.507 368 2HB PHE 47 1HB PHE 47 -3.839 12.198 4.798 369 HD1 PHE 47 1HD PHE 47 -7.361 11.073 5.143 370 HD2 PHE 47 2HD PHE 47 -4.289 13.665 6.537 371 HE1 PHE 47 1HE PHE 47 -8.803 11.769 7.010 372 HE2 PHE 47 2HE PHE 47 -5.724 14.364 8.410 373 HZ PHE 47 HZ PHE 47 -7.986 13.415 8.648 374 H ARG 48 H ARG 48 -3.336 11.784 1.764 375 HA ARG 48 HA ARG 48 -1.633 14.011 2.109 376 1HB ARG 48 2HB ARG 48 -0.839 11.749 1.496 377 2HB ARG 48 1HB ARG 48 -1.592 11.931 -0.083 378 1HG ARG 48 2HG ARG 48 -0.124 13.894 -0.489 379 2HG ARG 48 1HG ARG 48 0.692 13.541 1.036 380 1HD ARG 48 2HD ARG 48 2.070 12.354 -0.304 381 2HD ARG 48 1HD ARG 48 0.821 11.123 -0.118 382 HE ARG 48 HE ARG 48 0.582 12.971 -2.363 383 1HH1 ARG 48 1HH1 ARG 48 1.410 9.765 -1.233 384 2HH1 ARG 48 2HH1 ARG 48 1.304 9.056 -2.807 385 1HH2 ARG 48 1HH2 ARG 48 0.447 12.029 -4.425 386 2HH2 ARG 48 2HH2 ARG 48 0.763 10.337 -4.616 387 H VAL 49 H VAL 49 -3.699 13.008 -0.627 388 HA VAL 49 HA VAL 49 -3.078 15.331 -2.159 389 HB VAL 49 HB VAL 49 -4.912 14.646 -3.639 390 1HG1 VAL 49 1HG1 VAL 49 -2.557 13.520 -3.488 391 2HG1 VAL 49 2HG1 VAL 49 -3.804 12.838 -4.533 392 3HG1 VAL 49 3HG1 VAL 49 -3.483 12.117 -2.955 393 1HG2 VAL 49 1HG2 VAL 49 -5.949 12.351 -3.034 394 2HG2 VAL 49 2HG2 VAL 49 -6.610 13.816 -2.306 395 3HG2 VAL 49 3HG2 VAL 49 -5.522 12.785 -1.378 396 H VAL 50 H VAL 50 -5.982 14.374 -0.310 397 HA VAL 50 HA VAL 50 -7.353 16.809 -0.754 398 HB VAL 50 HB VAL 50 -7.740 14.891 1.550 399 1HG1 VAL 50 1HG1 VAL 50 -9.723 16.778 0.292 400 2HG1 VAL 50 2HG1 VAL 50 -8.782 17.163 1.734 401 3HG1 VAL 50 3HG1 VAL 50 -9.926 15.820 1.760 402 1HG2 VAL 50 1HG2 VAL 50 -8.013 14.325 -1.149 403 2HG2 VAL 50 2HG2 VAL 50 -9.652 14.701 -0.623 404 3HG2 VAL 50 3HG2 VAL 50 -8.735 13.432 0.188 405 H GLY 51 H GLY 51 -5.522 15.588 2.049 406 1HA GLY 51 2HA GLY 51 -5.800 17.886 3.642 407 2HA GLY 51 1HA GLY 51 -4.533 16.680 3.806 408 H ARG 52 H ARG 52 -3.776 17.283 0.907 409 HA ARG 52 HA ARG 52 -1.825 19.294 1.567 410 1HB ARG 52 2HB ARG 52 -1.607 17.211 -0.006 411 2HB ARG 52 1HB ARG 52 -2.235 18.307 -1.225 412 1HG ARG 52 2HG ARG 52 -0.110 18.878 -1.555 413 2HG ARG 52 1HG ARG 52 -0.253 19.787 -0.048 414 1HD ARG 52 2HD ARG 52 0.682 16.931 -0.299 415 2HD ARG 52 1HD ARG 52 1.722 18.333 -0.053 416 HE ARG 52 HE ARG 52 -0.310 18.073 1.950 417 1HH1 ARG 52 1HH1 ARG 52 2.871 17.016 0.984 418 2HH1 ARG 52 2HH1 ARG 52 3.367 16.629 2.597 419 1HH2 ARG 52 1HH2 ARG 52 0.340 17.571 4.071 420 2HH2 ARG 52 2HH2 ARG 52 1.931 16.946 4.352 421 H MET 53 H MET 53 -4.938 19.303 0.084 422 HA MET 53 HA MET 53 -4.695 22.165 -0.341 423 1HB MET 53 2HB MET 53 -4.874 20.184 -2.538 424 2HB MET 53 1HB MET 53 -5.883 21.614 -2.686 425 1HG MET 53 2HG MET 53 -3.993 23.054 -2.606 426 2HG MET 53 1HG MET 53 -2.927 21.721 -2.168 427 1HE MET 53 1HE MET 53 -3.092 19.433 -3.857 428 2HE MET 53 2HE MET 53 -1.590 20.357 -3.877 429 3HE MET 53 3HE MET 53 -2.314 19.818 -5.392 430 H LEU 54 H LEU 54 -6.227 20.606 1.502 431 HA LEU 54 HA LEU 54 -8.921 20.394 0.588 432 1HB LEU 54 2HB LEU 54 -8.039 19.075 2.476 433 2HB LEU 54 1HB LEU 54 -7.864 20.542 3.413 434 HG LEU 54 HG LEU 54 -10.576 20.116 2.383 435 1HD1 LEU 54 1HD1 LEU 54 -10.622 18.457 4.582 436 2HD1 LEU 54 2HD1 LEU 54 -9.177 17.942 3.713 437 3HD1 LEU 54 3HD1 LEU 54 -10.740 17.954 2.896 438 1HD2 LEU 54 1HD2 LEU 54 -11.032 20.560 4.853 439 2HD2 LEU 54 2HD2 LEU 54 -10.278 21.857 3.926 440 3HD2 LEU 54 3HD2 LEU 54 -9.298 20.856 4.998 441 HA PRO 55 HA PRO 55 -9.526 24.582 2.897 442 1HB PRO 55 2HB PRO 55 -7.367 25.960 3.714 443 2HB PRO 55 1HB PRO 55 -8.079 24.675 4.698 444 1HG PRO 55 2HG PRO 55 -5.687 24.572 2.894 445 2HG PRO 55 1HG PRO 55 -5.882 23.915 4.531 446 1HD PRO 55 2HD PRO 55 -6.106 22.399 2.288 447 2HD PRO 55 1HD PRO 55 -6.990 22.051 3.786 448 H ILE 56 H ILE 56 -6.698 24.302 0.821 449 HA ILE 56 HA ILE 56 -6.990 26.939 -0.297 450 HB ILE 56 HB ILE 56 -5.316 24.667 -1.363 451 1HG1 ILE 56 2HG1 ILE 56 -3.619 26.403 -0.035 452 2HG1 ILE 56 1HG1 ILE 56 -5.014 26.320 1.035 453 1HG2 ILE 56 1HG2 ILE 56 -4.783 27.608 -1.631 454 2HG2 ILE 56 2HG2 ILE 56 -5.817 26.748 -2.772 455 3HG2 ILE 56 3HG2 ILE 56 -4.130 26.272 -2.580 456 1HD1 ILE 56 1HD1 ILE 56 -4.819 23.886 1.093 457 2HD1 ILE 56 2HD1 ILE 56 -3.340 24.674 1.641 458 3HD1 ILE 56 3HD1 ILE 56 -3.422 23.975 0.023 459 H GLN 57 H GLN 57 -7.762 23.639 -1.295 460 HA GLN 57 HA GLN 57 -9.193 22.827 -2.859 461 1HB GLN 57 2HB GLN 57 -10.083 25.682 -2.750 462 2HB GLN 57 1HB GLN 57 -10.700 24.637 -4.021 463 1HG GLN 57 2HG GLN 57 -11.650 23.142 -2.416 464 2HG GLN 57 1HG GLN 57 -10.880 24.005 -1.086 465 1HE2 GLN 57 1HE2 GLN 57 -13.490 23.634 -0.870 466 2HE2 GLN 57 2HE2 GLN 57 -14.369 25.092 -1.166 467 H GLU 58 H GLU 58 -6.784 22.834 -3.747 468 HA GLU 58 HA GLU 58 -5.650 22.568 -5.711 469 1HB GLU 58 2HB GLU 58 -8.055 22.576 -6.718 470 2HB GLU 58 1HB GLU 58 -7.651 24.213 -7.218 471 1HG GLU 58 2HG GLU 58 -6.612 23.409 -8.990 472 2HG GLU 58 1HG GLU 58 -5.476 22.566 -7.937 473 H ASN 59 H ASN 59 -3.916 23.654 -6.412 474 HA ASN 59 HA ASN 59 -3.639 26.402 -5.567 475 1HB ASN 59 2HB ASN 59 -1.284 26.100 -6.488 476 2HB ASN 59 1HB ASN 59 -1.735 25.062 -5.141 477 1HD2 ASN 59 1HD2 ASN 59 0.071 23.774 -5.914 478 2HD2 ASN 59 2HD2 ASN 59 -0.197 22.632 -7.181 479 H GLN 60 H GLN 60 -4.524 27.901 -6.809 480 HA GLN 60 HA GLN 60 -3.691 28.079 -9.592 481 1HB GLN 60 2HB GLN 60 -6.474 27.571 -8.697 482 2HB GLN 60 1HB GLN 60 -6.264 28.774 -9.963 483 1HG GLN 60 2HG GLN 60 -4.918 27.039 -11.210 484 2HG GLN 60 1HG GLN 60 -5.498 25.872 -10.022 485 1HE2 GLN 60 1HE2 GLN 60 -8.079 26.732 -9.659 486 2HE2 GLN 60 2HE2 GLN 60 -8.973 26.514 -11.121 487 H ALA 61 H ALA 61 -2.633 29.648 -7.788 488 HA ALA 61 HA ALA 61 -4.085 31.991 -7.131 489 1HB ALA 61 1HB ALA 61 -1.148 32.184 -7.336 490 2HB ALA 61 2HB ALA 61 -1.775 30.942 -6.254 491 3HB ALA 61 3HB ALA 61 -2.229 32.628 -6.015 492 HA PRO 62 HA PRO 62 -4.196 33.914 -11.170 493 1HB PRO 62 2HB PRO 62 -4.335 36.362 -9.472 494 2HB PRO 62 1HB PRO 62 -5.361 35.870 -10.825 495 1HG PRO 62 2HG PRO 62 -6.231 35.657 -8.321 496 2HG PRO 62 1HG PRO 62 -6.602 34.406 -9.521 497 1HD PRO 62 2HD PRO 62 -4.625 34.364 -7.287 498 2HD PRO 62 1HD PRO 62 -5.618 33.046 -7.943 499 H ALA 63 H ALA 63 -2.013 33.492 -11.724 500 HA ALA 63 HA ALA 63 0.183 34.911 -10.671 501 1HB ALA 63 1HB ALA 63 -0.011 32.742 -12.205 502 2HB ALA 63 2HB ALA 63 1.458 33.716 -12.121 503 3HB ALA 63 3HB ALA 63 0.332 33.931 -13.462 504 HA PRO 64 HA PRO 64 -0.660 38.965 -12.388 505 1HB PRO 64 2HB PRO 64 2.046 39.725 -12.306 506 2HB PRO 64 1HB PRO 64 0.833 40.018 -11.058 507 1HG PRO 64 2HG PRO 64 2.878 37.860 -11.245 508 2HG PRO 64 1HG PRO 64 2.260 38.704 -9.817 509 1HD PRO 64 2HD PRO 64 1.486 36.216 -10.374 510 2HD PRO 64 1HD PRO 64 0.329 37.404 -9.732 511 H ASN 65 H ASN 65 2.522 37.709 -13.425 512 HA ASN 65 HA ASN 65 2.086 38.743 -16.083 513 1HB ASN 65 2HB ASN 65 4.321 38.423 -14.599 514 2HB ASN 65 1HB ASN 65 4.396 36.964 -15.583 515 1HD2 ASN 65 1HD2 ASN 65 5.448 40.015 -15.412 516 2HD2 ASN 65 2HD2 ASN 65 5.663 40.367 -17.090 517 H ILE 66 H ILE 66 0.691 37.655 -17.308 518 HA ILE 66 HA ILE 66 1.374 35.119 -18.339 519 HB ILE 66 HB ILE 66 0.443 34.324 -16.201 520 1HG1 ILE 66 2HG1 ILE 66 -1.195 32.723 -17.176 521 2HG1 ILE 66 1HG1 ILE 66 -1.218 33.687 -18.648 522 1HG2 ILE 66 1HG2 ILE 66 -1.549 36.278 -16.711 523 2HG2 ILE 66 2HG2 ILE 66 -1.352 35.249 -15.296 524 3HG2 ILE 66 3HG2 ILE 66 -2.332 34.701 -16.652 525 1HD1 ILE 66 1HD1 ILE 66 0.222 31.652 -18.725 526 2HD1 ILE 66 2HD1 ILE 66 1.269 32.422 -17.535 527 3HD1 ILE 66 3HD1 ILE 66 1.047 33.159 -19.121 528 H THR 67 H THR 67 -1.031 37.629 -17.900 529 HA THR 67 HA THR 67 -1.478 37.973 -20.642 530 HB THR 67 HB THR 67 -4.099 37.185 -19.962 531 HG1 THR 67 1HG THR 67 -3.173 34.787 -19.744 532 1HG2 THR 67 1HG2 THR 67 -4.033 35.965 -21.877 533 2HG2 THR 67 2HG2 THR 67 -2.400 35.371 -21.578 534 3HG2 THR 67 3HG2 THR 67 -2.647 37.019 -22.155 535 H GLY 68 H GLY 68 -4.027 39.023 -20.697 536 1HA GLY 68 2HA GLY 68 -3.642 41.509 -19.388 537 2HA GLY 68 1HA GLY 68 -5.093 41.008 -20.243 538 H ALA 69 H ALA 69 -3.378 40.337 -17.181 539 HA ALA 69 HA ALA 69 -5.660 39.428 -15.797 540 1HB ALA 69 1HB ALA 69 -3.437 40.752 -14.325 541 2HB ALA 69 2HB ALA 69 -3.096 39.283 -15.238 542 3HB ALA 69 3HB ALA 69 -4.308 39.264 -13.956 543 H LEU 70 H LEU 70 -3.906 42.466 -15.163 544 HA LEU 70 HA LEU 70 -4.670 44.604 -14.874 545 1HB LEU 70 2HB LEU 70 -6.616 43.762 -16.415 546 2HB LEU 70 1HB LEU 70 -7.533 43.742 -14.924 547 HG LEU 70 HG LEU 70 -6.126 46.253 -15.228 548 1HD1 LEU 70 1HD1 LEU 70 -6.398 45.644 -17.640 549 2HD1 LEU 70 2HD1 LEU 70 -7.218 47.127 -17.152 550 3HD1 LEU 70 3HD1 LEU 70 -8.143 45.641 -17.379 551 1HD2 LEU 70 1HD2 LEU 70 -8.454 45.293 -14.079 552 2HD2 LEU 70 2HD2 LEU 70 -9.020 46.321 -15.395 553 3HD2 LEU 70 3HD2 LEU 70 -7.942 46.978 -14.165 554 H GLU 71 H GLU 71 -7.277 42.690 -13.396 555 HA GLU 71 HA GLU 71 -8.225 43.026 -11.305 556 1HB GLU 71 2HB GLU 71 -6.518 42.020 -9.591 557 2HB GLU 71 1HB GLU 71 -7.192 41.020 -10.869 558 1HG GLU 71 2HG GLU 71 -5.110 41.571 -12.206 559 2HG GLU 71 1HG GLU 71 -4.448 42.233 -10.716 560 H HIS 72 H HIS 72 -5.063 43.549 -9.920 561 HA HIS 72 HA HIS 72 -5.543 46.391 -9.544 562 1HB HIS 72 2HB HIS 72 -5.023 46.073 -7.056 563 2HB HIS 72 1HB HIS 72 -6.631 45.605 -7.599 564 HD1 HIS 72 1HD HIS 72 -3.512 44.253 -6.126 565 HD2 HIS 72 2HD HIS 72 -7.095 42.795 -7.642 566 HE1 HIS 72 1HE HIS 72 -3.628 41.854 -5.383 567 HE2 HIS 72 2HE HIS 72 -5.844 41.015 -6.241 568 H HIS 73 H HIS 73 -3.445 43.609 -9.452 569 HA HIS 73 HA HIS 73 -1.204 43.385 -9.720 570 1HB HIS 73 2HB HIS 73 -1.782 45.669 -11.129 571 2HB HIS 73 1HB HIS 73 -0.547 46.231 -10.008 572 HD1 HIS 73 1HD HIS 73 -1.065 44.039 -12.973 573 HD2 HIS 73 2HD HIS 73 2.012 45.109 -10.392 574 HE1 HIS 73 1HE HIS 73 1.047 43.218 -14.067 575 HE2 HIS 73 2HE HIS 73 2.899 43.902 -12.500 576 H HIS 74 H HIS 74 0.829 43.767 -8.619 577 HA HIS 74 HA HIS 74 0.435 44.240 -5.839 578 1HB HIS 74 2HB HIS 74 2.988 43.826 -7.407 579 2HB HIS 74 1HB HIS 74 2.861 43.795 -5.651 580 HD1 HIS 74 1HD HIS 74 2.813 41.618 -8.507 581 HD2 HIS 74 2HD HIS 74 0.990 41.634 -4.773 582 HE1 HIS 74 1HE HIS 74 2.053 39.254 -8.114 583 HE2 HIS 74 2HE HIS 74 0.851 39.315 -5.906 584 H HIS 75 H HIS 75 1.446 46.197 -8.498 585 HA HIS 75 HA HIS 75 1.901 48.413 -8.675 586 1HB HIS 75 2HB HIS 75 0.004 48.574 -7.010 587 2HB HIS 75 1HB HIS 75 1.222 48.660 -5.743 588 HD1 HIS 75 1HD HIS 75 0.809 50.487 -9.064 589 HD2 HIS 75 2HD HIS 75 1.510 51.241 -5.039 590 HE1 HIS 75 1HE HIS 75 1.068 52.981 -8.884 591 HE2 HIS 75 2HE HIS 75 1.581 53.405 -6.453 592 H HIS 76 H HIS 76 2.899 47.870 -5.292 593 HA HIS 76 HA HIS 76 4.908 48.075 -4.249 594 1HB HIS 76 2HB HIS 76 5.720 47.205 -6.993 595 2HB HIS 76 1HB HIS 76 6.965 47.739 -5.867 596 HD1 HIS 76 1HD HIS 76 6.391 44.754 -6.992 597 HD2 HIS 76 2HD HIS 76 5.578 46.241 -3.197 598 HE1 HIS 76 1HE HIS 76 6.307 42.742 -5.485 599 HE2 HIS 76 2HE HIS 76 5.777 43.662 -3.199 600 H HIS 77 H HIS 77 4.898 50.173 -3.612 601 HA HIS 77 HA HIS 77 5.555 52.343 -3.477 602 1HB HIS 77 2HB HIS 77 7.662 51.053 -4.692 603 2HB HIS 77 1HB HIS 77 7.327 52.370 -5.811 604 HD1 HIS 77 1HD HIS 77 7.031 52.600 -2.049 605 HD2 HIS 77 2HD HIS 77 9.425 54.008 -5.141 606 HE1 HIS 77 1HE HIS 77 8.552 54.306 -0.999 607 HE2 HIS 77 2HE HIS 77 9.932 55.206 -2.904 Start of MODEL 7 1 1H ALA 1 1HT ALA 1 0.068 -52.994 5.544 2 2H ALA 1 2HT ALA 1 0.618 -54.619 5.554 3 3H ALA 1 3HT ALA 1 0.806 -53.640 6.952 4 HA ALA 1 HA ALA 1 -1.772 -54.408 5.764 5 1HB ALA 1 1HB ALA 1 -0.728 -55.505 8.334 6 2HB ALA 1 2HB ALA 1 -0.224 -56.231 6.808 7 3HB ALA 1 3HB ALA 1 -1.934 -56.172 7.233 8 H ASP 2 H ASP 2 -0.462 -51.854 6.954 9 HA ASP 2 HA ASP 2 -1.656 -51.379 9.458 10 1HB ASP 2 2HB ASP 2 0.071 -50.002 7.780 11 2HB ASP 2 1HB ASP 2 -1.367 -48.987 7.810 12 H LYS 3 H LYS 3 -3.819 -51.933 9.507 13 HA LYS 3 HA LYS 3 -5.729 -51.278 7.565 14 1HB LYS 3 2HB LYS 3 -7.405 -51.690 9.329 15 2HB LYS 3 1HB LYS 3 -6.179 -52.948 9.270 16 1HG LYS 3 2HG LYS 3 -5.522 -52.554 11.358 17 2HG LYS 3 1HG LYS 3 -5.494 -50.808 11.113 18 1HD LYS 3 2HD LYS 3 -7.395 -50.593 12.249 19 2HD LYS 3 1HD LYS 3 -8.211 -51.695 11.138 20 1HE LYS 3 2HE LYS 3 -8.448 -52.994 12.954 21 2HE LYS 3 1HE LYS 3 -6.771 -53.434 12.640 22 1HZ LYS 3 1HZ LYS 3 -7.434 -51.111 14.337 23 2HZ LYS 3 2HZ LYS 3 -6.007 -52.019 14.292 24 3HZ LYS 3 3HZ LYS 3 -7.404 -52.677 14.981 25 H THR 4 H THR 4 -6.399 -49.344 6.924 26 HA THR 4 HA THR 4 -6.892 -47.122 6.894 27 HB THR 4 HB THR 4 -7.463 -47.131 9.824 28 HG1 THR 4 1HG THR 4 -9.440 -48.252 9.342 29 1HG2 THR 4 1HG2 THR 4 -8.370 -45.687 7.496 30 2HG2 THR 4 2HG2 THR 4 -8.558 -45.308 9.207 31 3HG2 THR 4 3HG2 THR 4 -9.715 -46.372 8.407 32 H ILE 5 H ILE 5 -4.192 -47.861 7.363 33 HA ILE 5 HA ILE 5 -2.195 -47.167 8.269 34 HB ILE 5 HB ILE 5 -2.694 -45.638 6.373 35 1HG1 ILE 5 2HG1 ILE 5 -0.999 -43.936 6.963 36 2HG1 ILE 5 1HG1 ILE 5 -1.119 -44.408 8.651 37 1HG2 ILE 5 1HG2 ILE 5 -3.564 -43.479 6.666 38 2HG2 ILE 5 2HG2 ILE 5 -3.411 -43.568 8.420 39 3HG2 ILE 5 3HG2 ILE 5 -4.629 -44.533 7.593 40 1HD1 ILE 5 1HD1 ILE 5 0.730 -45.573 8.027 41 2HD1 ILE 5 2HD1 ILE 5 0.166 -45.803 6.373 42 3HD1 ILE 5 3HD1 ILE 5 -0.510 -46.777 7.678 43 H PHE 6 H PHE 6 -4.146 -47.465 10.332 44 HA PHE 6 HA PHE 6 -4.590 -46.909 12.496 45 1HB PHE 6 2HB PHE 6 -1.732 -46.731 12.052 46 2HB PHE 6 1HB PHE 6 -2.239 -45.667 13.359 47 HD1 PHE 6 2HD PHE 6 -3.278 -49.093 12.268 48 HD2 PHE 6 1HD PHE 6 -1.811 -46.601 15.391 49 HE1 PHE 6 2HE PHE 6 -3.327 -51.007 13.815 50 HE2 PHE 6 1HE PHE 6 -1.856 -48.510 16.942 51 HZ PHE 6 HZ PHE 6 -2.615 -50.717 16.156 52 H ASN 7 H ASN 7 -5.044 -44.759 10.414 53 HA ASN 7 HA ASN 7 -4.486 -42.271 11.712 54 1HB ASN 7 2HB ASN 7 -5.565 -43.144 9.185 55 2HB ASN 7 1HB ASN 7 -6.585 -41.885 9.876 56 1HD2 ASN 7 1HD2 ASN 7 -5.970 -39.846 9.661 57 2HD2 ASN 7 2HD2 ASN 7 -4.416 -39.318 9.122 58 H ASP 8 H ASP 8 -7.347 -44.322 11.356 59 HA ASP 8 HA ASP 8 -9.214 -44.533 12.636 60 1HB ASP 8 2HB ASP 8 -7.774 -42.605 14.461 61 2HB ASP 8 1HB ASP 8 -9.329 -43.334 14.839 62 H HIS 9 H HIS 9 -10.602 -43.722 11.150 63 HA HIS 9 HA HIS 9 -12.369 -42.410 10.556 64 1HB HIS 9 2HB HIS 9 -11.388 -40.900 12.872 65 2HB HIS 9 1HB HIS 9 -12.134 -39.893 11.641 66 HD1 HIS 9 1HD HIS 9 -14.654 -40.066 11.353 67 HD2 HIS 9 2HD HIS 9 -13.117 -42.768 14.109 68 HE1 HIS 9 1HE HIS 9 -16.654 -41.026 12.536 69 HE2 HIS 9 2HE HIS 9 -15.694 -42.594 14.261 70 H LEU 10 H LEU 10 -9.113 -41.133 10.547 71 HA LEU 10 HA LEU 10 -7.941 -39.962 8.991 72 1HB LEU 10 2HB LEU 10 -9.742 -41.625 7.554 73 2HB LEU 10 1HB LEU 10 -9.706 -40.074 6.737 74 HG LEU 10 HG LEU 10 -7.239 -41.683 7.397 75 1HD1 LEU 10 1HD1 LEU 10 -7.637 -42.961 5.634 76 2HD1 LEU 10 2HD1 LEU 10 -7.741 -41.532 4.606 77 3HD1 LEU 10 3HD1 LEU 10 -9.189 -42.158 5.394 78 1HD2 LEU 10 1HD2 LEU 10 -7.725 -39.021 6.317 79 2HD2 LEU 10 2HD2 LEU 10 -6.687 -40.012 5.293 80 3HD2 LEU 10 3HD2 LEU 10 -6.252 -39.727 6.977 81 H ASN 11 H ASN 11 -7.932 -37.839 9.539 82 HA ASN 11 HA ASN 11 -10.325 -36.261 8.891 83 1HB ASN 11 2HB ASN 11 -9.198 -34.540 10.453 84 2HB ASN 11 1HB ASN 11 -9.929 -35.969 11.177 85 1HD2 ASN 11 1HD2 ASN 11 -7.359 -34.015 11.327 86 2HD2 ASN 11 2HD2 ASN 11 -6.167 -35.101 11.952 87 H THR 12 H THR 12 -7.224 -34.739 9.432 88 HA THR 12 HA THR 12 -7.386 -33.497 6.832 89 HB THR 12 HB THR 12 -6.872 -32.146 8.820 90 HG1 THR 12 1HG THR 12 -5.616 -30.938 7.654 91 1HG2 THR 12 1HG2 THR 12 -5.121 -32.433 10.222 92 2HG2 THR 12 2HG2 THR 12 -4.115 -33.202 8.993 93 3HG2 THR 12 3HG2 THR 12 -5.396 -34.119 9.786 94 H ASN 13 H ASN 13 -6.475 -34.398 5.110 95 HA ASN 13 HA ASN 13 -3.757 -35.188 5.101 96 1HB ASN 13 2HB ASN 13 -4.766 -37.200 6.164 97 2HB ASN 13 1HB ASN 13 -5.708 -37.453 4.703 98 1HD2 ASN 13 1HD2 ASN 13 -2.694 -37.835 6.231 99 2HD2 ASN 13 2HD2 ASN 13 -1.867 -38.606 4.927 100 HA PRO 14 HA PRO 14 -5.724 -35.990 0.654 101 1HB PRO 14 2HB PRO 14 -8.383 -34.764 1.198 102 2HB PRO 14 1HB PRO 14 -7.967 -36.123 0.149 103 1HG PRO 14 2HG PRO 14 -9.150 -36.549 2.485 104 2HG PRO 14 1HG PRO 14 -7.855 -37.623 1.920 105 1HD PRO 14 2HD PRO 14 -7.757 -35.453 3.978 106 2HD PRO 14 1HD PRO 14 -6.964 -37.038 3.967 107 H LYS 15 H LYS 15 -6.153 -33.335 2.819 108 HA LYS 15 HA LYS 15 -5.726 -31.458 0.614 109 1HB LYS 15 2HB LYS 15 -6.821 -29.768 2.046 110 2HB LYS 15 1HB LYS 15 -7.884 -31.094 1.620 111 1HG LYS 15 2HG LYS 15 -6.476 -31.439 4.171 112 2HG LYS 15 1HG LYS 15 -7.597 -30.085 4.120 113 1HD LYS 15 2HD LYS 15 -9.318 -31.689 3.223 114 2HD LYS 15 1HD LYS 15 -8.181 -32.990 3.580 115 1HE LYS 15 2HE LYS 15 -9.013 -33.047 5.641 116 2HE LYS 15 1HE LYS 15 -8.286 -31.465 5.912 117 1HZ LYS 15 1HZ LYS 15 -10.411 -30.919 6.359 118 2HZ LYS 15 2HZ LYS 15 -11.065 -32.170 5.427 119 3HZ LYS 15 3HZ LYS 15 -10.523 -30.754 4.680 120 H THR 16 H THR 16 -5.043 -31.996 4.068 121 HA THR 16 HA THR 16 -3.460 -30.944 5.410 122 HB THR 16 HB THR 16 -1.828 -32.493 3.396 123 HG1 THR 16 1HG THR 16 -2.455 -33.668 5.783 124 1HG2 THR 16 1HG2 THR 16 -0.137 -31.631 4.625 125 2HG2 THR 16 2HG2 THR 16 -0.584 -32.960 5.696 126 3HG2 THR 16 3HG2 THR 16 -1.161 -31.326 6.029 127 H ASN 17 H ASN 17 -1.166 -30.930 2.786 128 HA ASN 17 HA ASN 17 -0.336 -28.292 3.324 129 1HB ASN 17 2HB ASN 17 0.344 -30.371 1.307 130 2HB ASN 17 1HB ASN 17 0.813 -28.712 0.951 131 1HD2 ASN 17 1HD2 ASN 17 3.000 -29.122 1.131 132 2HD2 ASN 17 2HD2 ASN 17 3.767 -29.452 2.644 133 H LEU 18 H LEU 18 -2.429 -29.653 0.820 134 HA LEU 18 HA LEU 18 -2.589 -27.347 -0.789 135 1HB LEU 18 2HB LEU 18 -3.491 -29.870 -1.041 136 2HB LEU 18 1HB LEU 18 -4.985 -29.072 -0.585 137 HG LEU 18 HG LEU 18 -3.253 -28.285 -2.930 138 1HD1 LEU 18 1HD1 LEU 18 -5.672 -30.024 -2.685 139 2HD1 LEU 18 2HD1 LEU 18 -4.201 -30.276 -3.623 140 3HD1 LEU 18 3HD1 LEU 18 -5.392 -29.091 -4.155 141 1HD2 LEU 18 1HD2 LEU 18 -6.029 -27.365 -2.216 142 2HD2 LEU 18 2HD2 LEU 18 -4.993 -26.766 -3.514 143 3HD2 LEU 18 3HD2 LEU 18 -4.564 -26.462 -1.829 144 H ARG 19 H ARG 19 -4.861 -28.553 1.682 145 HA ARG 19 HA ARG 19 -6.604 -26.366 1.602 146 1HB ARG 19 2HB ARG 19 -7.052 -28.553 2.721 147 2HB ARG 19 1HB ARG 19 -5.982 -28.065 4.020 148 1HG ARG 19 2HG ARG 19 -7.965 -27.469 4.931 149 2HG ARG 19 1HG ARG 19 -7.602 -25.978 4.063 150 1HD ARG 19 2HD ARG 19 -9.033 -26.634 2.240 151 2HD ARG 19 1HD ARG 19 -9.291 -28.222 2.962 152 HE ARG 19 HE ARG 19 -10.930 -27.293 4.241 153 1HH1 ARG 19 1HH1 ARG 19 -8.745 -24.756 3.259 154 2HH1 ARG 19 2HH1 ARG 19 -9.695 -23.491 3.962 155 1HH2 ARG 19 1HH2 ARG 19 -12.182 -25.627 5.174 156 2HH2 ARG 19 2HH2 ARG 19 -11.648 -23.984 5.042 157 H LEU 20 H LEU 20 -3.800 -26.979 3.686 158 HA LEU 20 HA LEU 20 -4.041 -24.646 5.235 159 1HB LEU 20 2HB LEU 20 -2.582 -26.794 5.533 160 2HB LEU 20 1HB LEU 20 -1.384 -25.880 4.637 161 HG LEU 20 HG LEU 20 -1.791 -24.048 6.415 162 1HD1 LEU 20 1HD1 LEU 20 -2.807 -26.456 7.900 163 2HD1 LEU 20 2HD1 LEU 20 -3.775 -25.069 7.401 164 3HD1 LEU 20 3HD1 LEU 20 -2.487 -24.865 8.590 165 1HD2 LEU 20 1HD2 LEU 20 0.020 -26.172 6.204 166 2HD2 LEU 20 2HD2 LEU 20 -0.428 -26.078 7.905 167 3HD2 LEU 20 3HD2 LEU 20 0.229 -24.663 7.087 168 H TRP 21 H TRP 21 -2.279 -25.293 2.234 169 HA TRP 21 HA TRP 21 -0.898 -22.846 2.075 170 1HB TRP 21 2HB TRP 21 -1.307 -25.148 0.405 171 2HB TRP 21 1HB TRP 21 -1.497 -23.693 -0.562 172 HD1 TRP 21 HD TRP 21 0.731 -23.702 -1.874 173 HE1 TRP 21 1HE TRP 21 3.218 -23.594 -1.222 174 HE3 TRP 21 3HE TRP 21 0.266 -24.324 3.176 175 HZ2 TRP 21 2HZ TRP 21 4.779 -23.750 1.133 176 HZ3 TRP 21 3HZ TRP 21 2.301 -24.332 4.558 177 HH2 TRP 21 HH TRP 21 4.510 -24.051 3.557 178 H VAL 22 H VAL 22 -3.961 -23.867 0.570 179 HA VAL 22 HA VAL 22 -4.539 -21.433 -0.689 180 HB VAL 22 HB VAL 22 -6.557 -23.423 0.360 181 1HG1 VAL 22 1HG1 VAL 22 -8.084 -22.527 -1.194 182 2HG1 VAL 22 2HG1 VAL 22 -6.828 -21.613 -2.026 183 3HG1 VAL 22 3HG1 VAL 22 -7.347 -21.131 -0.411 184 1HG2 VAL 22 1HG2 VAL 22 -6.361 -24.025 -2.240 185 2HG2 VAL 22 2HG2 VAL 22 -5.400 -24.818 -0.997 186 3HG2 VAL 22 3HG2 VAL 22 -4.703 -23.503 -1.943 187 H ALA 23 H ALA 23 -5.676 -22.671 2.460 188 HA ALA 23 HA ALA 23 -7.244 -20.466 3.147 189 1HB ALA 23 1HB ALA 23 -7.621 -21.579 5.052 190 2HB ALA 23 2HB ALA 23 -5.902 -21.765 5.401 191 3HB ALA 23 3HB ALA 23 -6.703 -22.874 4.287 192 H PHE 24 H PHE 24 -3.880 -21.168 4.126 193 HA PHE 24 HA PHE 24 -3.511 -18.779 5.560 194 1HB PHE 24 2HB PHE 24 -1.712 -20.879 4.469 195 2HB PHE 24 1HB PHE 24 -0.985 -19.336 4.898 196 HD1 PHE 24 1HD PHE 24 -1.953 -18.427 7.274 197 HD2 PHE 24 2HD PHE 24 -1.589 -22.485 6.077 198 HE1 PHE 24 1HE PHE 24 -1.862 -19.109 9.636 199 HE2 PHE 24 2HE PHE 24 -1.502 -23.183 8.438 200 HZ PHE 24 HZ PHE 24 -1.638 -21.490 10.223 201 H GLN 25 H GLN 25 -2.538 -19.619 2.239 202 HA GLN 25 HA GLN 25 -1.335 -17.167 1.640 203 1HB GLN 25 2HB GLN 25 -1.331 -19.431 0.355 204 2HB GLN 25 1HB GLN 25 -2.749 -18.775 -0.454 205 1HG GLN 25 2HG GLN 25 -1.349 -16.761 -1.021 206 2HG GLN 25 1HG GLN 25 0.043 -17.674 -0.442 207 1HE2 GLN 25 1HE2 GLN 25 1.042 -17.721 -2.424 208 2HE2 GLN 25 2HE2 GLN 25 0.459 -18.667 -3.748 209 H MET 26 H MET 26 -4.681 -18.252 1.132 210 HA MET 26 HA MET 26 -5.530 -15.902 -0.192 211 1HB MET 26 2HB MET 26 -6.655 -18.277 0.079 212 2HB MET 26 1HB MET 26 -7.432 -17.505 1.451 213 1HG MET 26 2HG MET 26 -7.485 -16.288 -1.288 214 2HG MET 26 1HG MET 26 -8.669 -17.485 -0.765 215 1HE MET 26 1HE MET 26 -9.867 -17.273 1.545 216 2HE MET 26 2HE MET 26 -10.272 -15.745 2.326 217 3HE MET 26 3HE MET 26 -8.658 -16.430 2.511 218 H MET 27 H MET 27 -6.020 -16.950 3.192 219 HA MET 27 HA MET 27 -7.226 -14.525 3.989 220 1HB MET 27 2HB MET 27 -7.079 -16.950 5.100 221 2HB MET 27 1HB MET 27 -5.794 -16.164 6.008 222 1HG MET 27 2HG MET 27 -7.762 -15.945 7.278 223 2HG MET 27 1HG MET 27 -7.439 -14.359 6.578 224 1HE MET 27 1HE MET 27 -10.540 -17.133 6.727 225 2HE MET 27 2HE MET 27 -11.279 -15.568 7.062 226 3HE MET 27 3HE MET 27 -9.791 -16.033 7.886 227 H LYS 28 H LYS 28 -4.034 -15.786 4.959 228 HA LYS 28 HA LYS 28 -3.150 -13.334 6.025 229 1HB LYS 28 2HB LYS 28 -2.285 -15.817 6.307 230 2HB LYS 28 1HB LYS 28 -1.175 -15.332 5.030 231 1HG LYS 28 2HG LYS 28 -0.081 -13.824 6.362 232 2HG LYS 28 1HG LYS 28 -1.479 -13.573 7.412 233 1HD LYS 28 2HD LYS 28 -1.151 -15.931 8.229 234 2HD LYS 28 1HD LYS 28 0.375 -15.945 7.344 235 1HE LYS 28 2HE LYS 28 -0.140 -13.682 9.194 236 2HE LYS 28 1HE LYS 28 0.233 -15.254 9.900 237 1HZ LYS 28 1HZ LYS 28 2.121 -15.065 8.025 238 2HZ LYS 28 2HZ LYS 28 2.337 -14.568 9.627 239 3HZ LYS 28 3HZ LYS 28 1.942 -13.432 8.436 240 H GLY 29 H GLY 29 -2.581 -14.845 2.857 241 1HA GLY 29 2HA GLY 29 -0.711 -12.973 1.914 242 2HA GLY 29 1HA GLY 29 -1.748 -13.965 0.900 243 H ALA 30 H ALA 30 -4.117 -13.156 0.860 244 HA ALA 30 HA ALA 30 -4.118 -10.577 -0.264 245 1HB ALA 30 1HB ALA 30 -6.106 -12.660 0.283 246 2HB ALA 30 2HB ALA 30 -5.883 -11.647 -1.144 247 3HB ALA 30 3HB ALA 30 -6.752 -11.019 0.256 248 H GLY 31 H GLY 31 -4.920 -11.743 2.956 249 1HA GLY 31 2HA GLY 31 -6.208 -9.453 3.939 250 2HA GLY 31 1HA GLY 31 -5.360 -10.637 4.917 251 H TRP 32 H TRP 32 -2.855 -10.416 4.697 252 HA TRP 32 HA TRP 32 -2.154 -7.933 5.789 253 1HB TRP 32 2HB TRP 32 -0.901 -10.032 6.184 254 2HB TRP 32 1HB TRP 32 -0.314 -9.969 4.525 255 HD1 TRP 32 HD TRP 32 0.418 -8.703 7.967 256 HE1 TRP 32 1HE TRP 32 2.461 -7.140 7.919 257 HE3 TRP 32 3HE TRP 32 0.884 -8.110 2.909 258 HZ2 TRP 32 2HZ TRP 32 4.051 -5.821 5.996 259 HZ3 TRP 32 3HZ TRP 32 2.684 -6.675 2.047 260 HH2 TRP 32 HH TRP 32 4.237 -5.556 3.560 261 H ALA 33 H ALA 33 -1.347 -9.283 2.589 262 HA ALA 33 HA ALA 33 -0.002 -7.075 1.576 263 1HB ALA 33 1HB ALA 33 -0.521 -9.518 0.616 264 2HB ALA 33 2HB ALA 33 0.042 -8.185 -0.394 265 3HB ALA 33 3HB ALA 33 -1.676 -8.584 -0.334 266 H GLY 34 H GLY 34 -3.315 -7.947 0.577 267 1HA GLY 34 2HA GLY 34 -3.903 -5.446 -0.523 268 2HA GLY 34 1HA GLY 34 -5.096 -6.626 -0.006 269 H GLY 35 H GLY 35 -4.412 -6.677 2.744 270 1HA GLY 35 2HA GLY 35 -6.011 -4.577 3.691 271 2HA GLY 35 1HA GLY 35 -5.008 -5.619 4.686 272 H VAL 36 H VAL 36 -2.587 -5.053 4.536 273 HA VAL 36 HA VAL 36 -2.241 -2.469 5.573 274 HB VAL 36 HB VAL 36 -0.056 -4.249 4.489 275 1HG1 VAL 36 1HG1 VAL 36 -0.142 -1.838 6.230 276 2HG1 VAL 36 2HG1 VAL 36 1.047 -2.316 5.017 277 3HG1 VAL 36 3HG1 VAL 36 1.045 -3.088 6.602 278 1HG2 VAL 36 1HG2 VAL 36 -0.192 -4.585 7.243 279 2HG2 VAL 36 2HG2 VAL 36 -0.695 -5.745 6.014 280 3HG2 VAL 36 3HG2 VAL 36 -1.873 -4.636 6.713 281 H PHE 37 H PHE 37 -1.285 -3.783 2.386 282 HA PHE 37 HA PHE 37 -0.012 -1.481 1.450 283 1HB PHE 37 2HB PHE 37 -0.782 -3.999 0.372 284 2HB PHE 37 1HB PHE 37 -1.286 -2.754 -0.760 285 HD1 PHE 37 1HD PHE 37 1.689 -2.982 1.476 286 HD2 PHE 37 2HD PHE 37 0.209 -2.787 -2.509 287 HE1 PHE 37 1HE PHE 37 3.996 -2.842 0.630 288 HE2 PHE 37 2HE PHE 37 2.512 -2.647 -3.362 289 HZ PHE 37 HZ PHE 37 4.409 -2.674 -1.792 290 H PHE 38 H PHE 38 -3.386 -2.514 0.811 291 HA PHE 38 HA PHE 38 -4.079 -0.144 -0.567 292 1HB PHE 38 2HB PHE 38 -5.576 -2.429 0.595 293 2HB PHE 38 1HB PHE 38 -6.483 -0.958 0.296 294 HD1 PHE 38 1HD PHE 38 -6.669 -0.065 -1.992 295 HD2 PHE 38 2HD PHE 38 -4.846 -3.823 -1.185 296 HE1 PHE 38 1HE PHE 38 -6.901 -0.682 -4.362 297 HE2 PHE 38 2HE PHE 38 -5.074 -4.447 -3.554 298 HZ PHE 38 HZ PHE 38 -6.103 -2.875 -5.146 299 H GLY 39 H GLY 39 -4.317 -1.091 2.831 300 1HA GLY 39 2HA GLY 39 -5.861 1.067 3.734 301 2HA GLY 39 1HA GLY 39 -4.719 0.160 4.717 302 H THR 40 H THR 40 -2.319 0.723 4.014 303 HA THR 40 HA THR 40 -1.827 3.332 4.850 304 HB THR 40 HB THR 40 0.107 1.792 3.134 305 HG1 THR 40 1HG THR 40 0.702 0.719 5.093 306 1HG2 THR 40 1HG2 THR 40 0.893 3.081 5.669 307 2HG2 THR 40 2HG2 THR 40 0.487 4.145 4.322 308 3HG2 THR 40 3HG2 THR 40 1.764 2.942 4.142 309 H LEU 41 H LEU 41 -1.587 1.987 1.553 310 HA LEU 41 HA LEU 41 -0.869 4.289 0.206 311 1HB LEU 41 2HB LEU 41 -1.112 1.905 -0.682 312 2HB LEU 41 1HB LEU 41 -2.807 2.281 -0.916 313 HG LEU 41 HG LEU 41 -2.220 4.067 -2.481 314 1HD1 LEU 41 1HD1 LEU 41 0.306 3.905 -1.259 315 2HD1 LEU 41 2HD1 LEU 41 -0.205 4.979 -2.560 316 3HD1 LEU 41 3HD1 LEU 41 0.530 3.421 -2.940 317 1HD2 LEU 41 1HD2 LEU 41 -0.592 1.994 -3.691 318 2HD2 LEU 41 2HD2 LEU 41 -2.185 2.594 -4.153 319 3HD2 LEU 41 3HD2 LEU 41 -2.037 1.338 -2.922 320 H LEU 42 H LEU 42 -4.192 3.092 0.724 321 HA LEU 42 HA LEU 42 -5.483 5.288 -0.462 322 1HB LEU 42 2HB LEU 42 -6.293 2.893 0.623 323 2HB LEU 42 1HB LEU 42 -6.949 4.059 1.755 324 HG LEU 42 HG LEU 42 -7.915 5.231 -0.329 325 1HD1 LEU 42 1HD1 LEU 42 -6.494 3.769 -1.855 326 2HD1 LEU 42 2HD1 LEU 42 -8.190 3.980 -2.291 327 3HD1 LEU 42 3HD1 LEU 42 -7.657 2.487 -1.517 328 1HD2 LEU 42 1HD2 LEU 42 -9.904 4.220 0.097 329 2HD2 LEU 42 2HD2 LEU 42 -8.995 3.601 1.475 330 3HD2 LEU 42 3HD2 LEU 42 -9.220 2.595 0.042 331 H LEU 43 H LEU 43 -4.310 4.731 2.797 332 HA LEU 43 HA LEU 43 -5.623 6.918 4.016 333 1HB LEU 43 2HB LEU 43 -3.576 4.980 4.751 334 2HB LEU 43 1HB LEU 43 -3.259 6.564 5.433 335 HG LEU 43 HG LEU 43 -5.408 6.578 6.544 336 1HD1 LEU 43 1HD1 LEU 43 -7.116 5.431 5.721 337 2HD1 LEU 43 2HD1 LEU 43 -6.329 3.934 6.223 338 3HD1 LEU 43 3HD1 LEU 43 -6.046 4.579 4.605 339 1HD2 LEU 43 1HD2 LEU 43 -4.053 5.616 8.069 340 2HD2 LEU 43 2HD2 LEU 43 -3.480 4.386 6.943 341 3HD2 LEU 43 3HD2 LEU 43 -5.041 4.191 7.743 342 H ILE 44 H ILE 44 -2.314 6.570 2.747 343 HA ILE 44 HA ILE 44 -1.500 9.209 3.258 344 HB ILE 44 HB ILE 44 -0.503 7.398 1.054 345 1HG1 ILE 44 2HG1 ILE 44 -0.396 6.252 3.210 346 2HG1 ILE 44 1HG1 ILE 44 1.219 6.684 2.666 347 1HG2 ILE 44 1HG2 ILE 44 0.795 9.117 0.524 348 2HG2 ILE 44 2HG2 ILE 44 1.586 8.928 2.090 349 3HG2 ILE 44 3HG2 ILE 44 0.232 10.046 1.914 350 1HD1 ILE 44 1HD1 ILE 44 1.154 8.638 4.175 351 2HD1 ILE 44 2HD1 ILE 44 1.027 7.093 5.017 352 3HD1 ILE 44 3HD1 ILE 44 -0.411 8.083 4.770 353 H GLY 45 H GLY 45 -3.138 7.729 0.512 354 1HA GLY 45 2HA GLY 45 -2.930 9.915 -1.264 355 2HA GLY 45 1HA GLY 45 -4.132 8.638 -1.347 356 H PHE 46 H PHE 46 -5.695 8.893 0.733 357 HA PHE 46 HA PHE 46 -7.247 11.182 0.164 358 1HB PHE 46 2HB PHE 46 -7.758 8.770 1.301 359 2HB PHE 46 1HB PHE 46 -7.758 9.800 2.729 360 HD1 PHE 46 2HD PHE 46 -9.427 11.546 2.999 361 HD2 PHE 46 1HD PHE 46 -9.472 8.972 -0.393 362 HE1 PHE 46 2HE PHE 46 -11.719 12.275 2.480 363 HE2 PHE 46 1HE PHE 46 -11.766 9.701 -0.917 364 HZ PHE 46 HZ PHE 46 -12.889 11.355 0.519 365 H PHE 47 H PHE 47 -5.036 10.406 2.807 366 HA PHE 47 HA PHE 47 -5.604 12.715 4.364 367 1HB PHE 47 2HB PHE 47 -3.582 10.555 4.393 368 2HB PHE 47 1HB PHE 47 -3.130 12.054 5.190 369 HD1 PHE 47 1HD PHE 47 -4.691 12.975 6.966 370 HD2 PHE 47 2HD PHE 47 -4.970 9.007 5.459 371 HE1 PHE 47 1HE PHE 47 -5.976 12.311 8.956 372 HE2 PHE 47 2HE PHE 47 -6.255 8.336 7.441 373 HZ PHE 47 HZ PHE 47 -6.761 9.989 9.194 374 H ARG 48 H ARG 48 -3.211 12.013 1.846 375 HA ARG 48 HA ARG 48 -1.720 14.397 2.220 376 1HB ARG 48 2HB ARG 48 -0.614 13.890 0.147 377 2HB ARG 48 1HB ARG 48 -0.838 12.392 1.033 378 1HG ARG 48 2HG ARG 48 -2.843 11.951 -0.379 379 2HG ARG 48 1HG ARG 48 -2.403 13.356 -1.350 380 1HD ARG 48 2HD ARG 48 -0.269 11.368 -0.874 381 2HD ARG 48 1HD ARG 48 -1.600 10.836 -1.892 382 HE ARG 48 HE ARG 48 0.381 12.856 -2.517 383 1HH1 ARG 48 1HH1 ARG 48 -2.673 11.390 -3.386 384 2HH1 ARG 48 2HH1 ARG 48 -2.607 11.938 -5.026 385 1HH2 ARG 48 1HH2 ARG 48 0.465 13.561 -4.679 386 2HH2 ARG 48 2HH2 ARG 48 -0.832 13.165 -5.761 387 H VAL 49 H VAL 49 -4.452 13.567 0.109 388 HA VAL 49 HA VAL 49 -4.424 16.087 -1.235 389 HB VAL 49 HB VAL 49 -6.858 15.450 -1.823 390 1HG1 VAL 49 1HG1 VAL 49 -6.076 13.878 -3.543 391 2HG1 VAL 49 2HG1 VAL 49 -4.536 13.736 -2.693 392 3HG1 VAL 49 3HG1 VAL 49 -5.023 15.284 -3.387 393 1HG2 VAL 49 1HG2 VAL 49 -6.477 12.656 -1.555 394 2HG2 VAL 49 2HG2 VAL 49 -7.748 13.663 -0.858 395 3HG2 VAL 49 3HG2 VAL 49 -6.257 13.382 0.034 396 H VAL 50 H VAL 50 -6.696 14.771 1.203 397 HA VAL 50 HA VAL 50 -7.993 17.254 1.658 398 HB VAL 50 HB VAL 50 -7.842 14.888 3.523 399 1HG1 VAL 50 1HG1 VAL 50 -8.882 16.368 4.859 400 2HG1 VAL 50 2HG1 VAL 50 -10.292 15.982 3.871 401 3HG1 VAL 50 3HG1 VAL 50 -9.331 17.420 3.517 402 1HG2 VAL 50 1HG2 VAL 50 -9.234 13.738 2.211 403 2HG2 VAL 50 2HG2 VAL 50 -8.847 14.902 0.942 404 3HG2 VAL 50 3HG2 VAL 50 -10.270 15.142 1.954 405 H GLY 51 H GLY 51 -5.285 15.632 3.125 406 1HA GLY 51 2HA GLY 51 -5.020 17.310 5.397 407 2HA GLY 51 1HA GLY 51 -3.774 16.260 4.739 408 H ARG 52 H ARG 52 -3.815 17.498 2.116 409 HA ARG 52 HA ARG 52 -2.010 19.656 2.721 410 1HB ARG 52 2HB ARG 52 -1.609 17.973 0.914 411 2HB ARG 52 1HB ARG 52 -2.939 18.693 0.016 412 1HG ARG 52 2HG ARG 52 -1.361 19.950 -0.934 413 2HG ARG 52 1HG ARG 52 -1.396 20.873 0.570 414 1HD ARG 52 2HD ARG 52 0.307 18.472 0.597 415 2HD ARG 52 1HD ARG 52 0.833 19.753 -0.490 416 HE ARG 52 HE ARG 52 0.850 19.795 2.392 417 1HH1 ARG 52 1HH1 ARG 52 0.911 21.730 -0.517 418 2HH1 ARG 52 2HH1 ARG 52 1.631 23.099 0.264 419 1HH2 ARG 52 1HH2 ARG 52 1.802 21.593 3.409 420 2HH2 ARG 52 2HH2 ARG 52 2.137 23.021 2.487 421 H MET 53 H MET 53 -4.885 19.424 0.604 422 HA MET 53 HA MET 53 -5.877 21.927 1.581 423 1HB MET 53 2HB MET 53 -4.032 22.032 -0.533 424 2HB MET 53 1HB MET 53 -5.607 22.291 -1.269 425 1HG MET 53 2HG MET 53 -5.692 24.365 -0.512 426 2HG MET 53 1HG MET 53 -5.377 23.831 1.139 427 1HE MET 53 1HE MET 53 -4.232 25.980 -1.635 428 2HE MET 53 2HE MET 53 -2.838 26.675 -0.809 429 3HE MET 53 3HE MET 53 -4.414 26.662 -0.018 430 H LEU 54 H LEU 54 -6.026 19.473 -0.965 431 HA LEU 54 HA LEU 54 -8.782 20.051 -1.564 432 1HB LEU 54 2HB LEU 54 -7.083 17.710 -2.411 433 2HB LEU 54 1HB LEU 54 -8.631 18.167 -3.102 434 HG LEU 54 HG LEU 54 -6.164 19.905 -3.207 435 1HD1 LEU 54 1HD1 LEU 54 -5.902 19.199 -5.496 436 2HD1 LEU 54 2HD1 LEU 54 -7.313 18.148 -5.369 437 3HD1 LEU 54 3HD1 LEU 54 -5.858 17.789 -4.440 438 1HD2 LEU 54 1HD2 LEU 54 -7.503 21.482 -4.009 439 2HD2 LEU 54 2HD2 LEU 54 -8.893 20.443 -3.694 440 3HD2 LEU 54 3HD2 LEU 54 -8.086 20.386 -5.261 441 HA PRO 55 HA PRO 55 -9.988 17.117 1.688 442 1HB PRO 55 2HB PRO 55 -12.224 18.632 2.402 443 2HB PRO 55 1HB PRO 55 -10.638 18.712 3.159 444 1HG PRO 55 2HG PRO 55 -11.901 20.740 1.638 445 2HG PRO 55 1HG PRO 55 -10.238 20.736 2.249 446 1HD PRO 55 2HD PRO 55 -11.257 20.085 -0.464 447 2HD PRO 55 1HD PRO 55 -9.700 20.764 0.024 448 H ILE 56 H ILE 56 -12.434 18.781 -0.313 449 HA ILE 56 HA ILE 56 -13.372 16.267 -1.365 450 HB ILE 56 HB ILE 56 -15.735 16.660 -0.781 451 1HG1 ILE 56 2HG1 ILE 56 -15.431 19.132 -0.304 452 2HG1 ILE 56 1HG1 ILE 56 -16.428 18.252 0.844 453 1HG2 ILE 56 1HG2 ILE 56 -15.619 15.477 1.153 454 2HG2 ILE 56 2HG2 ILE 56 -14.360 16.501 1.844 455 3HG2 ILE 56 3HG2 ILE 56 -13.950 15.311 0.609 456 1HD1 ILE 56 1HD1 ILE 56 -14.949 18.520 2.539 457 2HD1 ILE 56 2HD1 ILE 56 -14.563 19.963 1.601 458 3HD1 ILE 56 3HD1 ILE 56 -13.553 18.527 1.469 459 H GLN 57 H GLN 57 -12.140 18.043 -2.820 460 HA GLN 57 HA GLN 57 -12.352 19.039 -4.867 461 1HB GLN 57 2HB GLN 57 -15.218 18.566 -4.279 462 2HB GLN 57 1HB GLN 57 -14.868 19.894 -5.369 463 1HG GLN 57 2HG GLN 57 -13.395 17.456 -5.990 464 2HG GLN 57 1HG GLN 57 -15.146 17.273 -6.077 465 1HE2 GLN 57 1HE2 GLN 57 -12.345 18.713 -7.472 466 2HE2 GLN 57 2HE2 GLN 57 -13.117 19.382 -8.867 467 H GLU 58 H GLU 58 -13.849 20.332 -2.007 468 HA GLU 58 HA GLU 58 -13.962 23.047 -2.819 469 1HB GLU 58 2HB GLU 58 -14.219 21.544 -0.269 470 2HB GLU 58 1HB GLU 58 -13.798 23.248 -0.142 471 1HG GLU 58 2HG GLU 58 -15.835 23.420 -1.872 472 2HG GLU 58 1HG GLU 58 -16.310 21.967 -0.999 473 H ASN 59 H ASN 59 -12.495 24.679 -2.590 474 HA ASN 59 HA ASN 59 -9.732 23.884 -2.274 475 1HB ASN 59 2HB ASN 59 -11.080 26.453 -3.100 476 2HB ASN 59 1HB ASN 59 -9.345 26.359 -2.822 477 1HD2 ASN 59 1HD2 ASN 59 -8.648 23.996 -3.858 478 2HD2 ASN 59 2HD2 ASN 59 -8.976 23.943 -5.555 479 H GLN 60 H GLN 60 -11.982 26.140 -0.715 480 HA GLN 60 HA GLN 60 -12.014 27.084 1.350 481 1HB GLN 60 2HB GLN 60 -11.284 24.473 1.753 482 2HB GLN 60 1HB GLN 60 -9.983 25.341 2.557 483 1HG GLN 60 2HG GLN 60 -12.190 26.667 3.459 484 2HG GLN 60 1HG GLN 60 -12.782 25.012 3.322 485 1HE2 GLN 60 1HE2 GLN 60 -12.421 26.506 5.727 486 2HE2 GLN 60 2HE2 GLN 60 -11.251 25.670 6.683 487 H ALA 61 H ALA 61 -11.045 29.026 0.755 488 HA ALA 61 HA ALA 61 -9.507 30.699 0.802 489 1HB ALA 61 1HB ALA 61 -8.889 29.011 3.125 490 2HB ALA 61 2HB ALA 61 -9.188 30.745 3.025 491 3HB ALA 61 3HB ALA 61 -7.598 30.099 2.622 492 HA PRO 62 HA PRO 62 -6.441 28.111 -1.677 493 1HB PRO 62 2HB PRO 62 -7.213 28.847 -4.158 494 2HB PRO 62 1HB PRO 62 -7.937 27.481 -3.306 495 1HG PRO 62 2HG PRO 62 -8.973 30.264 -3.652 496 2HG PRO 62 1HG PRO 62 -9.847 28.723 -3.733 497 1HD PRO 62 2HD PRO 62 -9.867 30.357 -1.541 498 2HD PRO 62 1HD PRO 62 -10.084 28.596 -1.457 499 H ALA 63 H ALA 63 -7.607 31.398 -1.840 500 HA ALA 63 HA ALA 63 -5.494 32.511 -3.349 501 1HB ALA 63 1HB ALA 63 -7.725 33.550 -2.985 502 2HB ALA 63 2HB ALA 63 -6.368 34.639 -2.699 503 3HB ALA 63 3HB ALA 63 -7.229 33.924 -1.335 504 HA PRO 64 HA PRO 64 -3.700 33.892 1.007 505 1HB PRO 64 2HB PRO 64 -4.271 32.069 3.006 506 2HB PRO 64 1HB PRO 64 -5.101 33.611 2.778 507 1HG PRO 64 2HG PRO 64 -5.918 30.871 1.914 508 2HG PRO 64 1HG PRO 64 -6.911 32.171 2.603 509 1HD PRO 64 2HD PRO 64 -6.942 31.649 -0.017 510 2HD PRO 64 1HD PRO 64 -7.031 33.316 0.582 511 H ASN 65 H ASN 65 -2.056 33.046 -0.480 512 HA ASN 65 HA ASN 65 -1.109 30.342 0.010 513 1HB ASN 65 2HB ASN 65 -0.495 32.492 -1.963 514 2HB ASN 65 1HB ASN 65 0.754 31.296 -1.633 515 1HD2 ASN 65 1HD2 ASN 65 0.498 29.221 -2.338 516 2HD2 ASN 65 2HD2 ASN 65 -0.786 28.724 -3.381 517 H ILE 66 H ILE 66 0.263 33.634 0.186 518 HA ILE 66 HA ILE 66 1.509 33.116 2.689 519 HB ILE 66 HB ILE 66 3.052 31.836 1.331 520 1HG1 ILE 66 2HG1 ILE 66 4.863 34.070 1.732 521 2HG1 ILE 66 1HG1 ILE 66 3.748 33.896 3.084 522 1HG2 ILE 66 1HG2 ILE 66 3.011 32.573 -0.823 523 2HG2 ILE 66 2HG2 ILE 66 4.515 33.314 -0.278 524 3HG2 ILE 66 3HG2 ILE 66 3.041 34.273 -0.367 525 1HD1 ILE 66 1HD1 ILE 66 4.826 32.114 3.843 526 2HD1 ILE 66 2HD1 ILE 66 6.096 32.498 2.681 527 3HD1 ILE 66 3HD1 ILE 66 4.828 31.348 2.255 528 H THR 67 H THR 67 0.467 35.019 3.234 529 HA THR 67 HA THR 67 -0.005 37.271 3.280 530 HB THR 67 HB THR 67 1.905 38.538 4.017 531 HG1 THR 67 1HG THR 67 4.027 37.567 3.762 532 1HG2 THR 67 1HG2 THR 67 2.060 37.390 5.896 533 2HG2 THR 67 2HG2 THR 67 3.056 36.167 5.105 534 3HG2 THR 67 3HG2 THR 67 1.297 36.017 5.093 535 H GLY 68 H GLY 68 1.616 39.470 2.394 536 1HA GLY 68 2HA GLY 68 2.426 40.433 0.357 537 2HA GLY 68 1HA GLY 68 1.575 39.180 -0.532 538 H ALA 69 H ALA 69 0.691 40.879 -1.844 539 HA ALA 69 HA ALA 69 -1.909 41.643 -1.088 540 1HB ALA 69 1HB ALA 69 0.244 43.610 -0.571 541 2HB ALA 69 2HB ALA 69 -1.291 43.362 0.258 542 3HB ALA 69 3HB ALA 69 -1.250 44.216 -1.286 543 H LEU 70 H LEU 70 -2.633 43.593 -2.668 544 HA LEU 70 HA LEU 70 -1.326 43.821 -5.157 545 1HB LEU 70 2HB LEU 70 -2.260 41.365 -5.019 546 2HB LEU 70 1HB LEU 70 -3.779 42.140 -5.430 547 HG LEU 70 HG LEU 70 -1.448 42.804 -7.138 548 1HD1 LEU 70 1HD1 LEU 70 -0.909 40.663 -7.484 549 2HD1 LEU 70 2HD1 LEU 70 -2.424 40.571 -8.383 550 3HD1 LEU 70 3HD1 LEU 70 -2.371 40.069 -6.696 551 1HD2 LEU 70 1HD2 LEU 70 -4.321 42.926 -7.223 552 2HD2 LEU 70 2HD2 LEU 70 -3.701 42.053 -8.621 553 3HD2 LEU 70 3HD2 LEU 70 -3.135 43.687 -8.281 554 H GLU 71 H GLU 71 -2.214 45.822 -3.787 555 HA GLU 71 HA GLU 71 -4.103 47.081 -5.446 556 1HB GLU 71 2HB GLU 71 -5.378 45.449 -3.675 557 2HB GLU 71 1HB GLU 71 -5.342 46.958 -2.775 558 1HG GLU 71 2HG GLU 71 -6.217 47.945 -5.053 559 2HG GLU 71 1HG GLU 71 -6.753 46.283 -5.301 560 H HIS 72 H HIS 72 -2.985 47.056 -2.067 561 HA HIS 72 HA HIS 72 -2.022 48.654 -0.769 562 1HB HIS 72 2HB HIS 72 -1.221 49.476 -3.524 563 2HB HIS 72 1HB HIS 72 -0.923 50.599 -2.202 564 HD1 HIS 72 1HD HIS 72 1.359 49.192 -3.822 565 HD2 HIS 72 2HD HIS 72 -0.117 47.910 -0.155 566 HE1 HIS 72 1HE HIS 72 3.193 47.803 -2.808 567 HE2 HIS 72 2HE HIS 72 2.264 47.005 -0.607 568 H HIS 73 H HIS 73 -1.911 51.294 -0.668 569 HA HIS 73 HA HIS 73 -4.652 52.057 -0.328 570 1HB HIS 73 2HB HIS 73 -1.999 53.326 0.226 571 2HB HIS 73 1HB HIS 73 -3.445 54.330 0.228 572 HD1 HIS 73 1HD HIS 73 -5.131 53.977 2.139 573 HD2 HIS 73 2HD HIS 73 -1.776 51.539 2.371 574 HE1 HIS 73 1HE HIS 73 -5.163 53.013 4.460 575 HE2 HIS 73 2HE HIS 73 -3.073 51.613 4.608 576 H HIS 74 H HIS 74 -2.073 52.831 -2.598 577 HA HIS 74 HA HIS 74 -2.067 53.931 -4.591 578 1HB HIS 74 2HB HIS 74 -4.802 52.843 -4.358 579 2HB HIS 74 1HB HIS 74 -4.627 54.175 -5.498 580 HD1 HIS 74 1HD HIS 74 -1.846 53.475 -6.640 581 HD2 HIS 74 2HD HIS 74 -4.913 50.729 -6.074 582 HE1 HIS 74 1HE HIS 74 -1.347 51.577 -8.213 583 HE2 HIS 74 2HE HIS 74 -3.216 49.924 -7.854 584 H HIS 75 H HIS 75 -2.322 55.408 -2.103 585 HA HIS 75 HA HIS 75 -4.127 57.576 -2.446 586 1HB HIS 75 2HB HIS 75 -2.305 56.684 -0.452 587 2HB HIS 75 1HB HIS 75 -1.897 58.354 -0.827 588 HD1 HIS 75 1HD HIS 75 -3.784 56.616 1.509 589 HD2 HIS 75 2HD HIS 75 -4.631 59.868 -0.933 590 HE1 HIS 75 1HE HIS 75 -5.733 57.779 2.592 591 HE2 HIS 75 2HE HIS 75 -6.287 59.689 1.047 592 H HIS 76 H HIS 76 -3.990 58.996 -4.040 593 HA HIS 76 HA HIS 76 -1.558 60.475 -4.470 594 1HB HIS 76 2HB HIS 76 -1.358 58.384 -5.912 595 2HB HIS 76 1HB HIS 76 -2.706 59.017 -6.851 596 HD1 HIS 76 1HD HIS 76 -2.239 61.458 -7.953 597 HD2 HIS 76 2HD HIS 76 1.081 59.304 -6.690 598 HE1 HIS 76 1HE HIS 76 -0.276 62.494 -9.135 599 HE2 HIS 76 2HE HIS 76 1.723 61.176 -8.354 600 H HIS 77 H HIS 77 -1.923 62.476 -5.367 601 HA HIS 77 HA HIS 77 -4.748 63.149 -5.820 602 1HB HIS 77 2HB HIS 77 -2.443 64.622 -4.651 603 2HB HIS 77 1HB HIS 77 -3.630 65.564 -5.550 604 HD1 HIS 77 1HD HIS 77 -3.133 65.694 -2.410 605 HD2 HIS 77 2HD HIS 77 -6.210 63.675 -4.339 606 HE1 HIS 77 1HE HIS 77 -4.962 65.466 -0.699 607 HE2 HIS 77 2HE HIS 77 -6.800 64.204 -1.876
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